Tootfinder

@pkotrcka@toot.community That's looking great!

Just as I've started to get a pretty comfortable with all the coordinate representations, projections, etc., I see this. If I would've came across an older dataset with this before now, I'm not sure what I would've done. Tried an internet search out of curiosity, but didn't come up with much. sp::char2dms converts it to numerical coordinates, but I didn't see any other functions/pkgs out there that does that conversion.

Nice try. #hetzner #phishing

@pkotrcka@toot.community

Das 38:14 aus dem Hinspiel sichert den Paderborn #dolphins den Verbleib in der #ErimaGFL. Für die Hamburg #pioneers ist der 28:27 Sieg vor eigenem Publikum im gestrigen Rückspiel sicher (noch) kein Trostpf…

Great meet the author event tonight with Frank Bongiorno in conversation with Virginia Haussegger about her new book (launched tonight) *Unfinished Revolution*. Elizabeth Reid was there too!
#Books #History #Politics

Bird Photographer of the Year winners, and even highly commended shots for 2025 are all incredibly epic (as usual)
#photography

visualizeus: vi.sualize.us picture tagging network
Three bipartite networks of tag-picture, user-picture, and user-tag linkages that represent the folksonomy of the picture tagging network of vi.sualize.us. The date of this snapshot is uncertain.
This network has 577437 nodes and 2298816 edges.
Tags: Informational, Folksonomy, Unweighted, Multigraph

On Friday, federal judges in Massachusetts and Rhode Island issued rulings
that could soon bring relief to millions of Americans whose Supplemental Nutrition Assistance Program (SNAP) benefits are set to expire on Nov. 1,
requiring the Trump administration to fund the program, at least partially while the legal proceedings continue.
The SNAP program, commonly referred to as food stamps, is among many government programs affectedby the ongoing shutdown,
and has been one…

JUST IN: Two Federal Judges Rule Trump Admin Must Fund Food Stamps — At Least Partially
On Friday, federal judges in Massachusetts and Rhode Island issued rulings that could soon bring relief to millions of Americans whose Supplemental Nutrition Assistance Program (SNAP) benefits are set to expire on Nov. 1.

Gestern die Doku "Oeconimia" aus 2023 gesehen. Da wird einem erst mal so richtig klar, wie abgrundtief krank unser Finanzsystem ist.
Jedem der sich über #kapitalismus #finanzsysteme

The #AGIT2026 call for papers is out:
Short paper submission deadline: March 1, 2026
#GISChat

AGIT Submissions - AGIT
Call for Submissions 2026 We encourage researchers, scholars, practitioners, and professionals in all facets of Geographic Information Science and Technology, and applications thereof, to present

Heute vor 70 Jahren: Am 29. November 1955 kam es im #Versuchsreaktor EBR-I in Arco, Idaho zu einer teilweisen #Kernschmelze während eines Tests zur Kühlmittelflussänderung. Ursache war die thermische Ausdehnung der Brennstäbe.

Went to "Whole Paycheck" for the first time in decades.
Don't get me wrong; I didn't buy anything... only returned a package to Amazon.
What? Do you think I'm made or money or something? Sheesh.
#wholefoods #amazon

Charge, heat, and spin transport phenomena in metallic conductors
Nynke Vlietstra, Sebastian T. B. Goennenwein, Rudolf Gross, Hans Huebl
https://arxiv.org/abs/2509.21635 https:/…

Charge, heat, and spin transport phenomena in metallic conductors
In solid state materials, gradients of the electro-chemical potential, the temperature, or the spin-chemical potential drive the flow of charge, heat, and spin angular momentum, resulting in a net transport of energy. Beyond the primary transport processes - such as the flow of charge, heat, and spin angular momentum driven by gradients in their respective potentials - a wide range of coupled or cross-linked transport responses can occur, giving rise to a rich variety of transport phenomena. Th…

Rethinking Personal Data: The CJEU’s Contextual Turn in EDPS vs. SRB
https://fpf.org/blog/rethinking-personal-data-the-cjeus-contextual-turn-in-edps-vs-srb/
@…

Metsät ovat nyt täynnä sieniä: Sieniretkeilijät esittelevät saaliinsa #luonto

Metsät ovat nyt täynnä sieniä: Sieni­retkeilijät esittelevät saaliinsa
Sunnuntai veti ihmisiä sienimetsälle Helsingin Landbossa ja Sipoonkorven kansallispuistossa.

A cafe at Heather and Broadway in #Vancouver refused to serve me because I only wanted a cappuccino not a meal. I cannot recommend them

#update #Mastodon

daily proof:
- intelligence is rare
- humans are followers by nature
🙄 🤦

Metaphor identification using large language models: A comparison of RAG, prompt engineering, and fine-tuning
Matteo Fuoli, Weihang Huang, Jeannette Littlemore, Sarah Turner, Ellen Wilding
https://arxiv.org/abs/2509.24866

Metaphor identification using large language models: A comparison of RAG, prompt engineering, and fine-tuning
Metaphor is a pervasive feature of discourse and a powerful lens for examining cognition, emotion, and ideology. Large-scale analysis, however, has been constrained by the need for manual annotation due to the context-sensitive nature of metaphor. This study investigates the potential of large language models (LLMs) to automate metaphor identification in full texts. We compare three methods: (i) retrieval-augmented generation (RAG), where the model is provided with a codebook and instructed to …

aktuelles #Wetter #Behrendorf #Wische 30-11-2025 11:45
Temperatur: (min: 5,3C) 7,8C (max: 7,9C)
Feuchte: 95%
Luftdruck: 1008,9 hPa (gleichbleibend)
Windrichtung: N/A Grad
Wi…

Die Teilnehmer am #ErimaGFL Bowl stehen fest. Die #Monarchs treffen auf die #Royals im „Finale daheme“. Potsdam konnte die Leistung aus dem 1/4-Finale gegen die

#Wordle 1,563 4/6*
⬜⬜⬜🟨⬜ <1% of 223,697 (131)
⬜🟨🟨⬜⬜ 0 of 67 (22)
🟨🟩⬜⬜🟩 0 of 0 (1)
🟩🟩🟩🟩🟩
WordleBot
Skill 90/99
Luck 47/99
Interesting word for the times, NYT.

Jeder Satz ein Treffer! Fred Grimm in der aktuellen SCHROT&KORN
„… von rechts über rechts außen bis rechts draußen …“
„Sie sind seit Jahren die lautesten, weil es der eigentlichen Mehrheit viel zu oft die Sprache verschlägt“
Text in den Alt-Texten von Bild 2 und 3
#vegan

Series A, Episode 10 - Breakdown
AVON: You CANNOT reject a direct command.
BLAKE: Justify that rejection, please.
ZEN: Your command reduces to an order to self-destruct. This runs counter to Prime Directive.
https://blake.torpidity.net/m/110/146 B7B4

Open Webinar IIP – 4 novembre 2025 – Delitti sintetici: legge italiana IA e crimini artificiali
https://www.istitutoitalianoprivacy.it/2025/10/30/open-webinar-iip-4-novembre-2025-delitti-sintetici-le…

Replaced article(s) found for cond-mat.soft. https://arxiv.org/list/cond-mat.soft/new
[1/1]:
- Topological edge flows drive macroscopic re-organization in magnetic colloids
Aleksandra Nelson, Dana M. Lobmeyer, Sibani L. Biswal, Evelyn Tang

Hier gibt’s gleich #Wein am #Mittelrhein.

aktuelles #Wetter #Behrendorf #Wische 30-09-2025 09:40
Temperatur: (min: 5,4C) 9,4C (max: 11,8C)
Feuchte: 85%
Luftdruck: 1026,2 hPa (langsam steigend)
Windrichtung: 226 Grad
Wi…

@… somebody needs to punch the lights out of that bastard
hopefully permanently

Jetz isses soweit. Hab mir heut allen Ernstes "Das Traumschiff" angesehen.
Brauch wohl nicht mehr sagen.

Thermally Activated Plasticity in Single-Crystal Titanium: A Molecular Dynamics Study of Nanoscale Deformation
G. Markovic, F. J. Dominguez-Gutierrez
https://arxiv.org/abs/2509.23193

Thermally Activated Plasticity in Single-Crystal Titanium: A Molecular Dynamics Study of Nanoscale Deformation
Hexagonal close-packed (hcp) titanium exhibits a complex temperature-dependent mechanical response that is central to its use in structural applications. We employ large-scale molecular dynamics simulations to investigate the nanoindentation behavior of single-crystalline a-Ti along the [0001], [10-10], and [2-110] orientations at 10, 300, and 600 K. The simulations reveal how temperature modifies the onset of plasticity and the subsequent evolution of dislocation activity, including nucleation…

Crosslisted article(s) found for cond-mat.soft. https://arxiv.org/list/cond-mat.soft/new
[1/1]:
- Interpretable Spectral Features Predict Conductivity in Self-Driving Doped Conjugated Polymer Labs
Ankush Kumar Mishra, Jacob P. Mauthe, Nicholas Luke, Aram Amassian, Baskar Gan…

Noncollinear Magnetic Multipoles in Collinear Altermagnets
Luca Buiarelli, Rafael M. Fernandes, Turan Birol
https://arxiv.org/abs/2509.23117 https://arxiv.…

Noncollinear Magnetic Multipoles in Collinear Altermagnets
Altermagnets host an array of magnetic multipoles, which are often visualized and studied in the reciprocal space. In the real space, the relative phase of the multipoles of the spin-density around atoms determines whether a system is an altermagnet or a conventional antiferromagnet. In this study, we approach these real space multipoles in altermagnets using a combination of first principles calculations and group theory. We show that even in collinear magnets, the local spin density is necess…

Cooperation, competition and emergence of hierarchy: assembly of active colloids under combined electric and magnetic fields
Indira Barros, Sayanth Ramachandran, Indrani Chakraborty
https://arxiv.org/abs/2509.22552

Cooperation, competition and emergence of hierarchy: assembly of active colloids under combined electric and magnetic fields
Field induced assembly of reconfigurable structures with complex hierarchical configurations has recently become an area of intense research with the promise for exciting applications in programmable self-assembly and nano/microstructure fabrication. While a wide variety of structures, from crystals to glasses, to chains and oligomers have been produced by activating colloidal particles with electric and magnetic fields, a combined approach utilizing the capabilities of multiple field types off…

Correlative 3D Mapping of Structure, Composition, and Valence State Dynamics in Battery Cathodes via Simultaneous ADF-EDS-EELS Tomography
Jaewhan Oh, Sunggu Kim, Chaehwa Jeong, Jason Manassa, Jonathan Schwartz, Sangmoon Yoon, Robert Hovden, Hye Ryung Byon, Yongsoo Yang
https://arxiv.org/abs/2509.23034

Correlative 3D Mapping of Structure, Composition, and Valence State Dynamics in Battery Cathodes via Simultaneous ADF-EDS-EELS Tomography
Understanding degradation in battery cathodes and other functional materials requires simultaneous knowledge of structural, chemical, and electronic changes in three dimensions (3D). Here, we present a simultaneous ADF-EDS-EELS tomography method that enables 3D mapping of atomic structure, composition, valence states, and transition metal inhomogeneity within a single, low-dose STEM tilt series acquisition. Applied to LiNi1/3Co1/3Mn1/3O2 (NCM111) particles at different electrochemical cycling s…

FULL FRONTAL NUDITY ON DISNEY PLUS

Radiation Forces and Torques on Janus Cylinders
Mohd. Meraj Khan, Sumesh P. Thampi, Anubhab Roy
https://arxiv.org/abs/2509.22308 https://arxiv.org/pdf/2509…

Radiation Forces and Torques on Janus Cylinders
The interaction of electromagnetic waves with dielectric Janus particles gives rise to radiation forces and torques, governed by the dielectric properties, interface orientation, and the size-to-wavelength ratio. In this study, we employ the Lattice Boltzmann Method to compute the radiation-induced drag, lift, and torque on circular Janus cylinders when illuminated by a transverse magnetic polarized plane wave. We analyze both metallo-dielectric and dielectric Janus cylinders. For metallo-diele…

Advancing Quantum Many-Body GW Calculations on Exascale Supercomputing Platforms
Benran Zhang, Daniel Weinberg, Chih-En Hsu, Aaron R. Altman, Yuming Shi, James B. White III, Derek Vigil-Fowler, Steven G. Louie, Jack R. Deslippe, Felipe H. da Jornada, Zhenglu Li, Mauro Del Ben
https://arxiv.org/abs/2509.23018

Advancing Quantum Many-Body GW Calculations on Exascale Supercomputing Platforms
Advanced ab initio materials simulations face growing challenges as increasing systems and phenomena complexity requires higher accuracy, driving up computational demands. Quantum many-body GW methods are state-of-the-art for treating electronic excited states and couplings but often hindered due to the costly numerical complexity. Here, we present innovative implementations of advanced GW methods within the BerkeleyGW package, enabling large-scale simulations on Frontier and Aurora exascale pl…

Scallop Theorem for Swimming in Anisotropic Fluids
Mojtaba Rajabi, Enej Caf, Qi Xing Zhang, Stephen A. Crane, Miha Ravnik, Gareth P. Alexander, \v{Z}iga Kos, Kathleen J. Stebe
https://arxiv.org/abs/2509.22249

Scallop Theorem for Swimming in Anisotropic Fluids
In isotropic fluids like water, micrometer-scale swimmers have evolved swim strokes to translate despite their tiny size. As described by Purcell in his Scallop Theorem, reciprocal motions, like those performed by a scallop, cannot drive swimming when inertial effects are absent, as is typical at micrometer length scales. Thus, microswimmers have evolved complex structures that can perform non-reciprocal swim strokes or body displacements to generate motion. Microswimmer dynamics in structured …

Machine Learning Based Optical Thermometry Using Photoluminescence and Raman Spectra of Diamonds Containing SiV Centers
Md Shakhawath Hossain, Dylan G. Stone, Dale Landry, Xiaoxue Xu, Carlo Bradac, Toan Trong Tran
https://arxiv.org/abs/2509.23017

Machine Learning Based Optical Thermometry Using Photoluminescence and Raman Spectra of Diamonds Containing SiV Centers
Micro- and nanothermometry enable precise temperature monitoring and control at the micro- and nanoscale, and have become essential diagnostic tools in applications ranging from high-power microelectronics to biosensing and nanomedicine. Most existing techniques rely on secondary micro- and nanothermometers that require individual calibration of each sensor, ideally both off- and in-situ, before use. We present an alternative approach that overcomes this limitation by employing fluorescent diam…

Non-Altermagnetic Origin of Exchange Bias Behaviors in Incoherent RuO$_2$/Fe Bilayer Heterostructures
Shelby S. Fields, Joseph C. Prestigiacomo, Cory D. Cress, Nicholas G. Combs, Olaf van 't Erve, Patrick G. Callahan, Keith E. Knipling, Michelle E. Jamer, Frank M. Abel, Feng Ye, Arianna Minelli, Zachary J. Morgan, Haile Ambaye, Masaaki Matsuda, Avishek Maity, Valeria Lauter, Steven P. Bennett

Non-Altermagnetic Origin of Exchange Bias Behaviors in Incoherent RuO$_2$/Fe Bilayer Heterostructures
Initially identified as a promising altermagnetic (AM) candidate, rutile RuO$_2$ has since become embroiled in controversy due to contradictory findings of modeling and measurements of the magnetic properties of bulk crystals and thin films. For example, despite observations of a bulk non-magnetic state using density functional theory, neutron scattering, and muon spin resonance measurements, patterned RuO$_2$ Hall bars and film heterostructures display magnetotransport signatures of magnetic o…

Theoretical investigation on the formation of ethylene on a gold surface
Tim Schrader, Alen Shaji, Christin David, Eva Perlt
https://arxiv.org/abs/2509.22835 https://

Theoretical investigation on the formation of ethylene on a gold surface
The targeted and efficient CO2 reduction remains an appealing option to capture CO2 from the atmosphere and transform it into value-added chemicals. The formation of methylene and subsequent dimerization to ethylene is one possible step in the rather complex pathway. These reactions typically occur on (catalytic) surfaces. It is therefore critical to gain a deeper understanding of the role of the surface. We study the reaction pathway of the dimerization on gold surfaces with varying layer thic…

Stacking-Controlled Magnetic Exchange and Magnetoelectric Coupling in Bilayer CrI$_2$
B. Vald\'es-Toro, I. Ferreira-Araya, R. A. Gallardo, J. W. Gonz\'alez
https://arxiv.org/abs/2509.22827

Stacking-Controlled Magnetic Exchange and Magnetoelectric Coupling in Bilayer CrI$_2$
We use a first-principles calculations approach to reveal the electronic and magnetic properties of chromium diiodide (CrI$_2$) bilayers and establish a hierarchy of magnetic interactions across stable registries. The monolayer presents a x-stripe antiferromagnetic ground state, while in bilayers the BA$^\prime$ stacking is the global minimum with antiparallel interlayer magnetic alignment. Bilayer configurations strengthen the exchange in the plane by 6 % to 10 %, while the exchange between la…

Unraveling the role of disorder in the electronic structure of high entropy alloys
Neeraj Bhatt, Deepali Sharma, Asif Ali, Kapil Motla, Sonika Jangid, Ravi Prakash Singh, Ravi Shankar Singh
https://arxiv.org/abs/2509.22809

Unraveling the role of disorder in the electronic structure of high entropy alloys
Disorder in high entropy alloys, arising from the random distribution of multiple elements, plays a crucial role in their novel properties desirable for various advanced engineering applications. We investigate the role of compositional and structural disorder on the electronic structure of osmium-based superconducting high entropy alloys, (Ru/Re)$_{0.35}$Os$_{0.35}$Mo$_{0.10}$W$_{0.10}$Zr$_{0.10}$, using photoemission spectroscopy and density functional theory (DFT). Elemental and cumulative c…

Stability and Structure of Binary Metal Hydrides under Pressure, Electrochemical Potential and Combined Pressure-Electrochemistry
Mgcini Keith Phuthi, Pin-Wen Guan, Russell J. Hemley, Venkatasubramanian Viswanathan
https://arxiv.org/abs/2509.22722

Stability and Structure of Binary Metal Hydrides under Pressure, Electrochemical Potential and Combined Pressure-Electrochemistry
Metal hydrides can be tuned to have a diverse range of properties and find applications in hydrogen storage and superconductivity. Finding methods to control the synthesis of hydrides can open up new pathways to unlock novel hydride compounds with desired properties. We introduced the idea of utilizing electrochemistry as an additional tuning knob and in this work, we study the synthesis of binary metal hydrides using high pressure, electrochemistry and combined pressure-electrochemistry. Using…

Direct Comparison of Static and Dynamic Measurements of Spin Generation in a Topological Insulator Thin Film
Vinay Sharma, Sharadh Jois, Ryan Van Haren, Gregory M. Stephen, M. Tomal Hossain, M. Benjamin Jungfleisch, Patrick J. Taylor, Aubrey T. Hanbicki, Adam L. Friedman
https://arxiv.org/abs/2509.22682

Direct Comparison of Static and Dynamic Measurements of Spin Generation in a Topological Insulator Thin Film
The competition between intrinsic spin-orbit physics, magnetic phenomena, and the quality of materials and interfaces governs the charge-to-spin conversion processes that are essential to the implementation of spintronic devices. Direct comparisons of spin parameters, which serve as metrics of device quality, obtained by different measurement techniques are scarce, leading to uncertainty regarding discrepancies and the reliability of the methods. Here, we directly compare the spin Hall coeffici…

Enduring mechanical memory from the constitutive response of elastically recoverable nanostructured materials
Abhishek Gupta, Bhanugoban Maheswaran, Nicholas Jaegersberg, Komal Chawla, Ramathasan Thevamaran
https://arxiv.org/abs/2509.22678

Enduring mechanical memory from the constitutive response of elastically recoverable nanostructured materials
Mechanical memory and computing are gaining significant traction as means to augment traditional electronics for robust and energy efficient performance in extreme environments. However, progress has largely focused on bistable metamaterials, while traditional constitutive memory effects have been largely overlooked, primarily due to the absence of compelling experimental demonstrations in elastically recoverable materials. Here, we report constitutive return point memory (RPM) in elastically r…

[2025-09-30 Tue (UTC), 33 new articles found for cond-mat.mtrl-sci Materials Science]
toXiv_bot_toot

Replaced article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Invar behavior and negative thermal expansion linked to magnetic transition in dhcp iron hydride ...
Mori, Aoki, Takano, Kagi, Park, Wang, Kim, Tsujino, Kakizawa, Higo

Crosslisted article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Unsymmetrical synthesis of benzimidazole-fused naphthalene imides with panchromatic absorption an...
Lin, Chang, Wu, Hsieh, Chien, Lu, Kulasekaran, Sssuraj, Ho, Rawa…

Directional strong coupling at the nanoscale between hyperbolic polaritons and organic molecules
Ana I. F. Tresguerres-Mata, Olga G. Matveeva, Christian Lanza, Jos\'e \'Alvarez-Cuervo, Kirill V. Voronin, Francesco Calavalle, Garen Avedissian, Pablo D\'iaz-N\'u\~nez, Gonzalo \'Alvarez-P\'erez, Aitana Tarazaga Mart\'in-Luengo, Javier Taboada-Guti\'errez, Jiahua Duan, Javier Mart\'in-S\'anchez, Andrei Bylinkin, Rainer Hillenbrand, Artem Mishchenko, …

Directional strong coupling at the nanoscale between hyperbolic polaritons and organic molecules
Strong coupling (SC) is a fundamental concept in physics that describes extreme interactions between light and matter. Recent experiments have demonstrated SC at the nanometer scale, where strongly confined polaritons, rather than photons, couple to quantum emitters or molecular vibrations. Coupling with the latter is generally referred to as vibrational SC (VSC) and is of significant fundamental and technological interest, as it can be an effective tool for modifying molecular properties. Howe…

Linear-scaling calculation of experimental observables for molecular augmented dynamics simulations
Tigany Zarrouk, Miguel A. Caro
https://arxiv.org/abs/2509.22388 https://

Linear-scaling calculation of experimental observables for molecular augmented dynamics simulations
Aligning theoretical atomistic structural models of materials with available experimental data presents a significant challenge for disordered systems. The configurational space to navigate is vast, and faithful realizations require large system sizes with quantum-mechanical accuracy in order to capture the distribution of structural motifs present in experiment. Traditional equilibrium sampling approaches offer no guarantee of generating structures that coincide with experimental data for such…

Self-organization mechanism in Bridgman-grown MnBi2Te4/(Bi2Te3)n: influence on layer sequence and magnetic properties
Pawe{\l} Skupi\'nski, Kamil Sobczak, Katarzyna Gas, Anna Reszka, Yadhu K. Edathumkandy, Jakub Majewski, Krzysztof Grasza, Maciej Sawicki, Agnieszka Wo{\l}o\'s
https://arxiv.org/abs/2509.22303

Self-organization mechanism in Bridgman-grown MnBi2Te4/(Bi2Te3)n: influence on layer sequence and magnetic properties
The growth of high-quality magnetic topological insulator crystals by the Bridgman method remains challenging due to thermodynamic limitations inherent to this technique. Nevertheless, this approach continues to provide bulk materials with significantly reduced free carrier concentrations compared to epitaxial methods. Here, we investigate the Inverted Vertical Bridgman growth of MnBi2Te4/(Bi2Te3)n crystals, with particular emphasis on the structural ordering of MnBi2Te4 septuple layers within …

Coherent control of nitrogen nuclear spins via the V$_B^-$-center in hexagonal boron nitride
Adalbert Tibi\'assy, Charlie J. Patrickson, Thomas Poirier, James H. Edgar, Bruno Lopez-Rodriguez, Viktor Iv\'ady, Isaac J. Luxmoore
https://arxiv.org/abs/2509.22257

Coherent control of nitrogen nuclear spins via the V$_B^-$-center in hexagonal boron nitride
Charged boron vacancies (V$_\text{B}^-$) in hexagonal boron nitride (hBN) have emerged as a promising platform for quantum nanoscale sensing and imaging. While these primarily involve electron spins, nuclear spins provide an additional resource for quantum operations. This work presents a comprehensive experimental and theoretical study of the properties and coherent control of the nearest-neighbor $^{15}$N nuclear spins of V$_\text{B}^-$-ensembles in isotope-enriched h$^{10}$B$^{15}$N. Multi-n…

Antiferromagnetic domain walls under spin-orbit torque
George Theodorou, Stavros Komineas
https://arxiv.org/abs/2509.22241 https://arxiv.org/pdf/2509.22241…

Antiferromagnetic domain walls under spin-orbit torque
Domain walls in antiferromagnets under a spin-polarized current present rich dynamics that is not observed in ferromagnets, and it is tunable by the current polarization. Precessional dynamics is obtained for perpendicular spin polarization, in agreement with expectations in older works. Propagating walls are obtained for an in-plane polarization. We obtain the velocity as a function of current by a perturbation method for low velocities, and the wall profile is found to lack a definite parity.…

Molecular Dynamics Simulations of Collision Cascades in Niobium: Comparing Interatomic Potentials
S. Mondal, U. Bhardwaj, A. Majalee, V. Mishra, M. Warrier
https://arxiv.org/abs/2509.22183

Molecular Dynamics Simulations of Collision Cascades in Niobium: Comparing Interatomic Potentials
Radiation damage in structural materials is a major challenge for advanced nuclear energy systems, and niobium is of particular interest due to its high melting point, mechanical strength, and corrosion resistance. To better understand its radiation response, we carried out large-scale molecular dynamics simulations of collision cascades in pure niobium at 300 K over a primary knock-on atom (PKA) energy range of 1-75 keV, employing four interatomic potentials: an embedded atom method (EAM), two…

An empirical potential to simulate helium and hydrogen in highly irradiated tungsten
Samanyu Tirumala, Daniel R. Mason, Oliver Shattock, Duc Nguyen-Manh, Felix Hofmann, Max Boleininger
https://arxiv.org/abs/2509.22012

An empirical potential to simulate helium and hydrogen in highly irradiated tungsten
Materials used in commercial D-T fusion reactors will be exposed to irradiation and a mixture of helium and hydrogen plasma. Modeling the microstructural evolution of such materials requires the use of large-scale molecular dynamics simulations. The focus of this study is to develop a fast EAM potential for the interactions among the three elements (W, H, and He), fitted to accurately reproduce both the ab initio formation energies and relaxation volumes of small defect clusters containing ligh…

Carrier-phonon decoupling via annealing enhances thermoelectric performance of Bi2(Te,Se)3
Xinxiu Cheng, Liqing Xu, Zhibin Gao, Wei Liu, Zhanxiang Yin, Xiangdong Ding, Yu Xiao
https://arxiv.org/abs/2509.21977

Carrier-phonon decoupling via annealing enhances thermoelectric performance of Bi2(Te,Se)3
Thermoelectric cooling based on the Peltier effect requires high-performance materials near room temperature. In this work, Bi2Te2.6Se0.4 synthesized by melting-hot pressing followed by 100 h annealing (MT-HP-AN) at 723 K exhibits markedly improved performance. Annealing introduces cation vacancies via Te(Se) volatilization, lowering carrier density and enhancing mobility, while simultaneously increasing phonon scattering. A peak ZT of 1.06 at 373 K and an average ZT of 0.99 at 300-423 K are ac…

Electric-field effect on spin diffusion length in solids: An \textit{ab initio} study beyond the drift-diffusion model
Junqing Xu, Weiwei Chen
https://arxiv.org/abs/2509.21962 h…

Electric-field effect on spin diffusion length in solids: An \textit{ab initio} study beyond the drift-diffusion model
Recently, we developed an \textit{ab initio} approach of spin diffusion length (l_{s}) in solids [Phys. Rev. Lett. 135, 046705 (2025)], based on a linearized density-matrix master equation with quantum treatment of electron scattering processes. In this work, we extend the method to include the drift term due to an electric field along a periodic direction, implemented efficiently using a Wannier-representation-based covariant derivative. We employ this approach to investigate the electric-fiel…

Challenges and opportunities in proximity-driven exciton-spin engineering in van der Waals heterostructures
Mushir Thodika, Dimitar Pashov, Igor Zutic, Mark van Schilfgaarde, Swagata Acharya
https://arxiv.org/abs/2509.21956

Challenges and opportunities in proximity-driven exciton-spin engineering in van der Waals heterostructures
van der Waals heterostructures consisting of transition metal dichalcogenides (TMDs) and two-dimensional (2D) magnets offer a versatile platform to study the coexistence and transformation of different excitons. By focusing on TMD WSe$_2$ and 2D magnetic CrI$_3$, as a bilayer WSe$_2$/CrI$_3$ and a trilayer CrI$_3$/WSe$_2$/CrI$_3$, we provide their description using a parameter-free, high-fidelity many-body perturbation theory. This ab initio approach allows us to elucidate the character of magn…

Modeling the Equilibrium Vacancy Concentration in Multi-Principal Element Alloys from First-Principles
Damien K. J. Lee, Yann L. M\"uller, Anirudh Raju Natarajan
https://arxiv.org/abs/2509.21944

Modeling the Equilibrium Vacancy Concentration in Multi-Principal Element Alloys from First-Principles
Multi-principal element alloys (MPEAs), also known as high-entropy alloys, have garnered significant interest across many applications due to their exceptional properties. Equilibrium vacancy concentrations in MPEAs influence diffusion and microstructural stability in these alloys. However, computing vacancy concentrations from ab-initio methods is computationally challenging due to the vast compositional space of MPEAs and the complexity of the local environment around each vacancy. In this wo…

Beyond Seamless: Unexpected Defective Merging in Single-Orientation Graphene
Zhien Wang, Jiangtao Wang, Diego Exposito, Andrey Krayev, Shih-Ming He, Xudong Zheng, Zachariah Hennighausen, Ivan Brihuega, Se-Young Jeong, Jing Kong
https://arxiv.org/abs/2509.21908

Beyond Seamless: Unexpected Defective Merging in Single-Orientation Graphene
Single-orientation stitching of graphene has emerged as the predominant method for growth of large-area, high-quality graphene films. Particularly noteworthy is graphene grown on single-crystalline Cu(111)/sapphire substrates, which exhibits exceptionally planar oriented stitching due to the atomically smooth substrate, facilitating the formation of continuous, high-quality graphene monolayer. These single-orientation stitches have conventionally been regarded as seamless with negligible defect…

Beyond Structure: Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction
Bin Cao, Yang Liu, Longhan Zhang, Yifan Wu, Zhixun Li, Yuyu Luo, Hong Cheng, Yang Ren, Tong-Yi Zhang
https://arxiv.org/abs/2509.21778

Beyond Structure: Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction
Crystal property prediction, governed by quantum mechanical principles, is computationally prohibitive to solve exactly for large many-body systems using traditional density functional theory. While machine learning models have emerged as efficient approximations for large-scale applications, their performance is strongly influenced by the choice of atomic representation. Although modern graph-based approaches have progressively incorporated more structural information, they often fail to captu…

Strain-Induced Antiferromagnetic-to-Altermagnetic Phase Transition and Topology in $(\mathrm{CrO}_2)_1/(\mathrm{TaO}_2)_2$ Superlattice
Wanfei Shan, Qun Yang, Prineha Narang
https://arxiv.org/abs/2509.21741

Strain-Induced Antiferromagnetic-to-Altermagnetic Phase Transition and Topology in $(\mathrm{CrO}_2)_1/(\mathrm{TaO}_2)_2$ Superlattice
Topological aspects in altermagnets have come into focus recently, and tuning the antiferromagnetic (AFM) state into an altermagnetic phase remains an active frontier. We realize both within a rutile superlattice here in this paper. With first principles calculation, we show that a uniaxial strain of only 0.5$\%$ along the c axis converts the $(\mathrm{CrO}_2)_1/(\mathrm{TaO}_2)_2$ rutile superlattice from a trivial antiferromagnet into an altermagnet with topology accompanied by a weak SOC. Th…

Scalable Foundation Interatomic Potentials via Message-Passing Pruning and Graph Partitioning
Lingyu Kong, Jaeheon Shim, Guoxiang Hu, Victor Fung
https://arxiv.org/abs/2509.21694

Scalable Foundation Interatomic Potentials via Message-Passing Pruning and Graph Partitioning
Atomistic foundation models (AFMs) have great promise as accurate interatomic potentials, and have enabled data-efficient molecular dynamics simulations with near quantum mechanical accuracy. However, AFMs remain markedly slower at inference and are far more memory-intensive than conventional interatomic potentials, due to the need to capture a wide range of chemical and structural motifs in pre-training datasets requiring deep, parameter-rich model architectures. These deficiencies currently l…

Direct Deoxygenation of Phenol over Fe-based Bimetallic Surfaces using On-the-fly Surrogate Models
Isaac Onyango, Qiang Zhu
https://arxiv.org/abs/2509.21678 https://

Direct Deoxygenation of Phenol over Fe-based Bimetallic Surfaces using On-the-fly Surrogate Models
We present an accelerated nudged elastic band (NEB) study of phenol direct deoxygenation (DDO) on Fe-based bimetallic surfaces using a recently developed Gaussian process regression (GPR) calculator. Our test calculations demonstrate that the GPR calculator achieves up to 3x speedup compared to conventional density functional theory (DFT) calculations while maintaining high accuracy, with energy barrier errors below 0.015 eV. Using GPR-NEB, we systematically examine the DDO mechanism on pristin…

Automated Machine Learning Pipeline for Training and Analysis Using Large Language Models
Adam Lahouari, Jutta Rogal, Mark E. Tuckerman
https://arxiv.org/abs/2509.21647 https://…

Automated Machine Learning Pipeline for Training and Analysis Using Large Language Models
Machine learning interatomic potentials (MLIPs) have become powerful tools to extend molecular simulations beyond the limits of quantum methods, offering near-quantum accuracy at much lower computational cost. Yet, developing reliable MLIPs remains difficult because it requires generating high-quality datasets, preprocessing atomic structures, and carefully training and validating models. In this work, we introduce an Automated Machine Learning Pipeline (AMLP) that unifies the entire workflow f…

Multiferroicity of oxygen-deficient Hf$_x$Zr$_{1-x}$O$_{2-y}$ nanoparticles
Anna N. Morozovska, Andrii V. Bodnaruk, Oleksandr S. Pylypchuk, Denis O. Stetsenko, Andrii D. Yaremkevich, Oksana V. Leshchenko, Victor N. Pavlikov, Yuri O. Zagorodniy, Lesya P. Yurchenko, Lesya Demchenko, Myroslav V. Karpets, Olena M. Fesenko, Victor V. Vainberg, Eugene A. Eliseev
http…

Multiferroicity of oxygen-deficient Hf$_x$Zr$_{1-x}$O$_{2-y}$ nanoparticles
We observed a superparamagnetic-type response of ultra-small (5 - 10 nm in size) Hf$_x$Zr$_{1-x}$O$_{2-y}$ nanoparticles prepared by the solid-state organonitrate synthesis. The Raman spectra indicate the decisive role of surface defects, presumably oxygen vacancies, for all studied x = 1, 0.6, 0.5, 0.4 and significant degree "y" of oxygen deficiency. At the same time elemental analysis did not reveal any noticeable concentration of magnetic impurities in theHf$_x$Zr$_{1-x}$O$_{2-y}$ nanopowder…

Anisotropy of the chiral, semiconducting phase LaRhC$_{2}$: a handedness resolved study
Volodymyr Levytskyi, Ulrich Burkhardt, Markus K\"onig, Christoph Hennig, Eteri Svanidze, Yuri Grin, Roman Gumeniuk
https://arxiv.org/abs/2509.21510

Anisotropy of the chiral, semiconducting phase LaRhC$_{2}$: a handedness resolved study
Chirality in quantum materials is a topic of significant importance due to its profound effects on the electronic, magnetic, and optical properties of these systems. However, it is non-trivial to decouple the behavior of two enantiomorphs within the same material -- perhaps explaining why the influence of chirality on electrical properties has remained largely unexplored. In this work, we examine the electrical conductivity, magnetoresistance, and thermal expansion coefficient of LaRhC$_{2}$ --…

Strain-tunability of the multipolar Berry curvature in altermagnet MnTe
Shane Smolenski, Ning Mao, Dechen Zhang, Yucheng Guo, A. K. M. Ashiquzzaman Shawon, Mingyu Xu, Eoghan Downey, Trisha Musall, Ming Yi, Weiwei Xie, Chris Jozwiak, Aaron Bostwick, Nobumichi Tamura, Eli Rotenberg, Lu Li, Kai Sun, Yang Zhang, Na Hyun Jo
https://arxiv.org/ab…

Strain-tunability of the multipolar Berry curvature in altermagnet MnTe
The anomalous Hall effect describes the generation of a transverse voltage by a longitudinal current even in the absence of an external magnetic field. While typically observed in ferromagnets, it has also been predicted to arise in altermagnets, materials characterized by rotational symmetries that enable broken time reversal symmetry despite compensated collinear magnetic ordering. These symmetries enforce band (anti)crossings that can generate significant contributions to the Berry curvature…

Interpretable Spectral Features Predict Conductivity in Self-Driving Doped Conjugated Polymer Labs
Ankush Kumar Mishra, Jacob P. Mauthe, Nicholas Luke, Aram Amassian, Baskar Ganapathysubramanian
https://arxiv.org/abs/2509.21330

Interpretable Spectral Features Predict Conductivity in Self-Driving Doped Conjugated Polymer Labs
Self-driving labs (SDLs) promise faster materials discovery by coupling automation with machine learning, but a central challenge is predicting costly, slow-to-measure properties from inexpensive, automatable readouts. We address this for doped conjugated polymers by learning interpretable spectral fingerprints from optical spectroscopy to predict electrical conductivity. Optical spectra are fast, non-destructive, and sensitive to aggregation and charge generation; we automate their featurizati…

[2025-09-29 Mon (UTC), 22 new articles found for cond-mat.mtrl-sci Materials Science]
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Electrical resistivity of microstructural components in Al-Mg-Si alloys
Gautam Kumar, Amram Azulay, Omer Coriat, Hanna Bishara
https://arxiv.org/abs/2509.25089 https://

Electrical resistivity of microstructural components in Al-Mg-Si alloys
Al-Mg-Si alloys are utilized in large scale electrical conduction applications thanks to their low density, high strength, and low electrical resistivity. The alloying elements, Mg and Si, are introduced to improve the mechanical strength; however, the formed defects also suppress electrical conductivity, adversely affecting the material performance. Here, we investigate the impact of alloying, heat treatment, and the corresponding microstructure, on the electrical resistivity of overaged alloy…

Nanoscale Polar Landscapes in Quantum Paraelectric SrTiO3
Yang Zhang, Suk Hyun Sung, Nishkarsh Agarwal, Maya Gates, Cong Li, Pu Yu, Robert Hovden, Ismail El Baggari
https://arxiv.org/abs/2509.24969

Nanoscale Polar Landscapes in Quantum Paraelectric SrTiO3
SrTiO3 is a textbook quantum paraelectric, with ferroelectricity purportedly suppressed by quantum fluctuations of ionic positions down to the lowest temperatures. The precise real space structure of SrTiO3 at low temperature, however, has remained undefined despite decades of study. Here we directly image the low-temperature polar structure of quantum parelectric SrTiO3, using cryogenic scanning transmission electron microscopy down to 20 K. High resolution imaging reveals a spatially fluctuat…

Fabrication of hydrogen-bonded metal inorganic-organic complex glasses by ligand-tuning approach
Tianzhao Xu, Zhencai Li, Jia-Xin Wu, Zihao Wang, Hanmeng Zhang, Huotian Zhang, Lars R. Jensen, Kenji Shinozaki, Feng Gao, Haomiao Zhu, Ivan Hung, Zhehong Gan, Jinjun Ren, Zheng Yin, Ming-Hua Zeng, Yuanzheng Yue
https://arxiv.org/abs/2509.24755

Fabrication of hydrogen-bonded metal inorganic-organic complex glasses by ligand-tuning approach
Metal inorganic-organic complex (MIOC) crystals are a new category of hybrid glass formers. However, the glass-forming compositions of MIOC crystals are limited due to lack of both a general design principle for such compositions and a deep understanding of the structure and formation mechanism for MIOC glasses. This work reports a general approach for synthesizing glass-forming MIOC crystals. In detail, the principle of this approach is based on the creation of hydrogen-bonded structural netwo…

The influence of solute induced memory on interface migration
Chad W. Sinclair, J\"org Rottler
https://arxiv.org/abs/2509.24668 https://arxiv.org/pdf/…

The influence of solute induced memory on interface migration
Interface migration governs microstructural evolution during phase transformations and grain growth thereby dictating those material properties that depend on microstructure. Recent work continues to highlight the rich range of behaviors exhibited by migrating interfaces and the complex connection between these behaviors and the underlying atomistic processes that determine coarse-grained interfacial mobility. For interfaces moving at low homologous temperatures and small driving forces, we sho…

Detection of magnetic monopole in image potential states of topological insulators
Yang Zhan, Huaiyu Zhang, Yu Wang, Baojie Feng, Peng Cheng, Lan Chen
https://arxiv.org/abs/2509.24648

Detection of magnetic monopole in image potential states of topological insulators
Magnetic monopoles, hypothetical particles behaving as isolated magnetic charges, have long been predicted by theories beyond the standard model but remain elusive in experimental detection. In this study, we demonstrate a novel method to induce and detect magnetic monopoles on the surface of three-dimensional (3D) topological insulators (TIs) using scanning tunneling microscopy (STM). By applying a radially distributed electric field via the STM tip to induce an image magnetic monopole using t…

Bromine-methanol etching of semiconductor crystals $Cd_{1-x}Zn_{x}Te_{1-y}Se_{y}$ with different selenium concentrations
S. V. Naydenov, G. M. Babenko, O. K. Kapustnyk, I. M. Pritula
https://arxiv.org/abs/2509.24532

Bromine-methanol etching of semiconductor crystals $Cd_{1-x}Zn_{x}Te_{1-y}Se_{y}$ with different selenium concentrations
The effect of the selenium concentration in the composition of the $Cd_{1-x}Zn_{x}Te_{1-y}Se_{y}$ semiconductor crystals on their etching with a bromine-methanol solution was studied. A thermodynamic model is proposed to describe the degree of etching of $Cd_{1-x}Zn_{x}Te$ and $Cd_{1-x}Zn_{x}Te_{1-y}Se_{y}$ crystals. A thermodynamic law is obtained for the first time to describe the change in the etching rate of $Cd_{1-x}Zn_{x}Te_{1-y}Se_{y}$ crystals with different selenium concentrations. Exp…

The role of the solid-melt interface in accelerating the self-catalyzed growth kinetics of III-V semiconductors
Zhucong Xi, Abby Liu, Xiaobo Chen, Meng Li, Dmitri N. Zakharov, Judith C. Yang, Rachel S. Goldman, Liang Qi
https://arxiv.org/abs/2509.24206

The role of the solid-melt interface in accelerating the self-catalyzed growth kinetics of III-V semiconductors
Solid-melt interfaces play a pivotal role in governing crystal growth and metal-mediated epitaxy of gallium nitride (GaN) and other semiconductor materials. Using atomistic simulations based on machine-learning interatomic potentials (MLIPs), we uncover that multiple layers of Ga atoms at the GaN-Ga melt interface form structurally ordered and electronically charged configurations that are critical for the growth kinetics of GaN. These ordered layers modulate the free energy landscape (FEL) for…

Demagnetization-Driven Nanoscale Chirality-Selective Thermal Switch
In Hyeok Choi, Daeheon Kim, Yeon Jong Jin, Seungmo Yang, Tae-Seong Ju, Changsoo Kim, Chanyong Hwang, Dongbin Shin, Jong Seok Lee
https://arxiv.org/abs/2509.24205

Demagnetization-Driven Nanoscale Chirality-Selective Thermal Switch
Chiral-lattice degrees of freedom can offer novel chirality-selective functionalities for thermotronic applications. Chiral phonons, carrying both heat and angular momentum, can emerge through a breaking of chiral degeneracy in the phonon bands, either via an intrinsic chiral crystal structure or by angular momentum transfer from photons or spins. This chiral controllability of the lattice dynamics enables a design of chiral thermo-devices by integrating ferromagnets with chiral materials. Here…

Structural, optical, and electrical properties of Cu-doped NiO films synthesized by spray pyrolysis for potential gas sensing applications
Eka Nurfani, Grace Grace, Mahardika Yoga Darmawan, Resti Marlina, Jumaeda Jatmika, Asnan Rinovian, Aditya Rianjanu
https://arxiv.org/abs/2509.24197

Structural, optical, and electrical properties of Cu-doped NiO films synthesized by spray pyrolysis for potential gas sensing applications
Cu-doped NiO thin films were deposited on ITO substrates via spray pyrolysis at 450 °C for 1.5 minutes. XRD confirmed a cubic NiO structure, with Cu incorporation reducing crystallite size, increasing interplanar spacing, and expanding the lattice parameter, indicating successful substitution of Cu ions. Optical analysis showed a slight bandgap reduction from 3.70 to 3.65 eV, while PL revealed lower emission intensity, suggesting enhanced defect states and suppressed carrier recombination. Ram…

Effect of Tube Radius on the Adsorption of Chlorothalonil on Single-Walled Carbon and Boron Nitride Nanotube Surfaces: A Theoretical Study for Environmental Remediation
Francisco Gleidson de S. Ferreira, Caio V. C. Ribeiro da Silva, Silvete Guerini, Kleuton A. L. Lima, Douglas Soares Galv\~ao, Jos\'e Milton Elias de Matos, Alexandre Araujo de Souza
https://…

Effect of Tube Radius on the Adsorption of Chlorothalonil on Single-Walled Carbon and Boron Nitride Nanotube Surfaces: A Theoretical Study for Environmental Remediation
We investigated the interaction of the pesticide chlorothalonil (CLT) with single-walled carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs) using density functional theory (DFT) with the SIESTA code. Structural, energetic, and electronic analyses were used to characterize adsorption on nanotube surfaces. The adsorption energy becomes more favorable as the tube radius increases, consistent with enhanced pi-pi stacking on less curved surfaces. Both CNTs and BNNTs physisorb CLT; however, …

C-BerryTrans: A C code for first-principles calculation of Berry-curvature-driven anomalous Hall and Nernst conductivities
Vivek Pandey, Sudhir K. Pandey
https://arxiv.org/abs/2509.24071

C-BerryTrans: A C++ code for first-principles calculation of Berry-curvature-driven anomalous Hall and Nernst conductivities
We present C-BerryTrans, a C++ code designed for first-principles calculations of Berry-curvature-driven transverse transport properties, namely the anomalous Hall conductivity (AHC) i.e., $σ_{μν}^{AHC}$ and anomalous Nernst conductivity (ANC) i.e., $α_{μν}^{ANC}$. The code directly extracts eigenvalues and momentum-matrix elements from WIEN2k calculations and evaluates the Berry curvature ($\boldsymbolΩ$) using a Kubo-like formalism. For computational efficiency, C-BerryTrans paralleliz…

Strain-induced Dynamic Spin-Phonon Coupling in Epitaxial RuO2 Films
In Hyeok Choi, Seung Gyo Jeong2, Jae Hyuck Lee, San Kang, Sreejith Nair, Changyoung Kim, Dirk Wulferding, Bharat Jalan, Jong Seok Lee
https://arxiv.org/abs/2509.23969

Strain-induced Dynamic Spin-Phonon Coupling in Epitaxial RuO2 Films
Magnetic order parameters in altermagnets can couple to quantized lattice vibration via both piezomagnetic and magnetoelastic effects, leading to the renormalization of phonon dispersion. Here, we demonstrate photo-induced dynamic frequency modulation of THz phonons excited in anisotropically-strained epitaxial RuO2 thin films using ultrafast coherent phonon spectroscopy and time-resolved magneto-optic Kerr effect measurement. A coherent oscillation of a transverse acoustic phonon appears in th…

Twinning Relationships in Coexisting Cubic and Tetragonal Phases of Ferroelectrics
S. Gorfman, I. Biran, N. Zhang, Z. -G. Ye
https://arxiv.org/abs/2509.23868 https://

Twinning Relationships in Coexisting Cubic and Tetragonal Phases of Ferroelectrics
Many ferroelectric materials undergo thermally driven transitions between cubic and tetragonal phases. Despite being well-known for decades, such transitions still pose unresolved questions, particularly about the role of domains in shaping the transition pathway. It is understood that tetragonal domain assemblages are crucial for mismatch-free coexistence of both tetragonal and cubic phases, as described by the Weschler-Lieberman-Read (WLR) crystallographic theory. However, direct experimental…

Domain Boundaries in a Metallic Distortive Polar Metal
Adrian Savovici, Barak Ratzker, Xuyang Zhou, Stefan Zaefferer, Martina Ruffino, Iliya Radulov, Patricia Jovi\v{c}evi\'c-Klug, Shyam Katnagallu, Amir Hamzehei, Philipp Watermeyer, Alexandra Vogel, J\"org Neugebauer, Christoph Freysoldt, Dierk Raabe
https://arxiv.org/abs/2509.23…

Domain Boundaries in a Metallic Distortive Polar Metal
Polar metals are an underexplored material class combining two properties that are typically incompatible, namely a polar crystal structure and reasonable electrical conductivity. While intriguing given that metals favor centrosymmetry, these materials also exhibit potential functional properties relevant to memory, optoelectronic, catalytic, and other applications. The distortive polar metal (DPM) subclass forms through a centrosymmetry-lifting phase transformation into a polar crystal structu…

Field-free superconducting diode effect of NbSe2 induced by strain
Jiajun Li, Minhao Zou, Fengyi Guo, Dai Zheng, Yiying Zhang, Yu Du, Fuwei Zhou, Heng Zhang, Wuyi Qi, Tianqi Wang, YeFan Yu, Rui Wang, Fucong Fei, Hao Geng, Fengqi Song
https://arxiv.org/abs/2509.23707

Field-free superconducting diode effect of NbSe2 induced by strain
Superconducting diodes, similar to semiconductor diodes, possess unidirectional superconducting properties and are the fundamental units for constructing superconducting quantum computing, thus attracting widespread attention. At present, most of superconducting diodes require an external magnetic field or proximity effect to break time reversal symmetry (TRS). The cases of intrinsic superconducting diode effect (SDE) under zero magnetic field are relatively scarce, and there are still some puz…

DFT prediction of new o-MAX phases: Mo2A2AlC3 (A = Zr, Nb, Ta) for next-generation thermal barrier coatings
M. I. A. Tanim, C. Talukder, S. S. Saif, Labib H. K. Adnan, N. Jahan, M. M. Hossain, M. M. Uddin, M. A. Ali
https://arxiv.org/abs/2509.23545

DFT prediction of new o-MAX phases: Mo2A2AlC3 (A = Zr, Nb, Ta) for next-generation thermal barrier coatings
The incorporation of o-MAX phases, characterized by out-of-plane atomic arrangements, provides valuable extensions to the MAX phase family, driven by their superior thermomechanical properties, which are suitable for high-temperature applications. In this research, three novel o-MAX phases, Mo2A2AlC3 (A = Zr, Nb, Ta), have been newly explored, and their structural geometry, electronic properties, mechanical behavior, thermodynamic characters, and optical response have been comprehensively inves…

Phase transitions and polarization switching in quasi-one-dimensional organic ferroelectrics of phenyltetrazole family
A. P. Moina
https://arxiv.org/abs/2509.23526 https://

Phase transitions and polarization switching in quasi-one-dimensional organic ferroelectrics of phenyltetrazole family
Pseudospin models are proposed for description of the phase transitions, dielectric characteristics, and polarization switching in two crystals of the phenyltetrazole family. One of them, APHTZ, is a canted ferroelectric, whereas the other, MPHTZ is a simple antiferroelectric. In APHTZ the electric field, applied perpendicularly to the axis of spontaneous polarization, flips the polarization in one of the two sublattices, effectively rotating the non-zero net polarization by 90$^\circ$ and swit…

Accelerating Crystal Structure Prediction Using Data-Derived Potentials: High-Pressure Binary Hydrides
Lewis J. Conway, Chris J. Pickard
https://arxiv.org/abs/2509.23476 https:/…

Accelerating Crystal Structure Prediction Using Data-Derived Potentials: High-Pressure Binary Hydrides
Crystal structures can be predicted from first-principles using ab initio random structure searching AIRSS and density functional theory (DFT). AIRSS provides a method to sample the potential energy landscape and DFT provides a robust and accurate description of that landscape. Classical interatomic potentials can describe energy landscapes at a significantly lower computational cost, typically at the expense of robustness and accuracy. Modern machine-learning interatomic potentials offer a com…

Trace Element Behavior during Shock Transformation of Zircon to Reidite
A. A. Shiryaev, A. N. Zhukov, V. V. Yakushev, A. A. Averin, V. O. Yapaskurt, A. Yu. Borisova, A. Yu. Bychkov, O. G. Safonov, I. V. Lomonosov
https://arxiv.org/abs/2509.23446

Trace Element Behavior during Shock Transformation of Zircon to Reidite
Large single crystals of natural zircon were shock-loaded at 13.6 and 51.3 GPa in planar geometry. No structural changes were observed after loading at 13.6 GPa. Loading to 51.3 GPa resulted in zircon transformation to a denser scheelite-structured phase, reidite. The investigation of reidite samples by X-ray diffraction, Raman, photo- and cathodoluminescence spectroscopies revealed segregation of some trace cations (such as REE) on planar defects during the transformation. The segregation has …

Evidence of electronic instability driven structural distortion in the nodal line semimetal CoSn$_2$
Suman Nandi, Bishal Maity, Shovan Dan, Khadiza Ali, Bikash Patra, Anshuman Mondal, Gaston Garbarino, Pierre Rodi\`ere, Sitaram Ramakrishnan, Bahadur Singh, Arumugam Thamizhavel
https://arxiv.org/abs/2509.23221…

Evidence of electronic instability driven structural distortion in the nodal line semimetal CoSn$_2$
Understanding the mechanisms that drive spontaneous rotational symmetry breaking in correlated electron systems is a central challenge in condensed matter physics. Although such symmetry breaking phases have been studied in low-dimensional and strongly correlated materials, its emergence in structurally simpler compounds remains less explored. Here, we investigate non-magnetic CoSn$_2$ that is a centrosymmetric intermetallic compound crystallizing in a tetragonal structure at ambient conditions…

Selective nonthermal melting in phlogopite under ultrafast energy deposition
Nikita Medvedev
https://arxiv.org/abs/2509.23211 https://arxiv.org/pdf/2509.23…

Selective nonthermal melting in phlogopite under ultrafast energy deposition
Phlogopite is a complex magnesium-rich mineral from the dark mica group, KMg$_3$(AlSi$_3$O$_{10}$)(OH)$_2$. Its response to ultrafast excitation of its electronic system is studied using a hybrid model that combines tight-binding molecular dynamics with transport Monte Carlo and the Boltzmann equation. Simulations predict that at the deposited dose of ~0.17 eV/atom (electronic temperature $T_e$~11,000 K), the first hydrogens start to migrate in the otherwise preserved lattice, transiently turni…

Crosslisted article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Light in Slices: How to Enable Precise Laser Processing?
Stefan Nolte, J\"orn Bonse, Nadezhda M. Bulgakova

Replaced article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[2/2]:
- Atomistic Insights into Cu/amorphous-Ta$_x$N Interfacial Adhesion via Machine Learning Interatomi...
Jeong Min Choi, Jaehoon Kim, Ji-Hwan Lee, Won-Joon Son, Seungwu Han…

Replaced article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/2]:
- Highly Efficient Room-Temperature Nonvolatile Magnetic Switching by Current in Fe3GaTe2 Thin Flakes
Shaohua Yan, Shangjie Tian, Yang Fu, Fanyu Meng, Zhiteng Li, Hechang…