Tootfinder

@pkotrcka@toot.community Good morning and enjoy your coffee!

#gießen #giessen
Da kann man sich nur noch schämen.

Time For 9 o'clock #HashTagGames hosted by @… Let's play!
#CheeseAMovieOrPlay

@pkotrcka@toot.community That's the start of all, a sim card 😊

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.

AFLW Weekly
Great Australian Pods Podcast Directory: #GreatAusPods

Während sich die Berliner Koalition mit dem geplanten #Baumgesetz für mehr #Stadtgrün feiert, sollen in der #Ollenhauerstraße in

Baumliebe ist relativ – 131 Bäume sollen für Neubau der Ollenhauerstraße in Reinickendorf fallen
Gigantische Fehlinvestition zulasten der Zukunftsfähigkeit droht

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

windsurfers: Windsurfers network (1986)
A network of interpersonal contacts among windsurfers in southern California during the Fall of 1986. The edge weights indicate the perception of social affiliations majored by the tasks in which each individual was asked​ to sort cards with other surfer’s name in the order of closeness.
This network has 43 nodes and 336 edges.
Tags: Social, Offline, Weighted

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.

@pkotrcka@toot.community Consider living there?

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

Chrome (very good developers, some of the best, have not made any UX mistakes in the past 5 minutes) gives me a duplicate "Open in reading mode" context menu entry for some reason

Moody Urbanity II 🟩
情绪化城市 II 🟩
📷 Nikon FE
🎞️ Lucky SHD 400
#filmphotography #Photography #blackandwhite

Nice try. #hetzner #phishing

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

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.

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…

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

#update #Mastodon

AGOCS -- Accurate Google Cloud Simulator Framework
Leszek Sliwko, Vladimir Getov
https://arxiv.org/abs/2509.26120 https://arxiv.org/pdf/2509.26120

AGOCS -- Accurate Google Cloud Simulator Framework
This paper presents the Accurate Google Cloud Simulator (AGOCS) - a novel high-fidelity Cloud workload simulator based on parsing real workload traces, which can be conveniently used on a desktop machine for day-to-day research. Our simulation is based on real-world workload traces from a Google Cluster with 12.5K nodes, over a period of a calendar month. The framework is able to reveal very precise and detailed parameters of the executed jobs, tasks and nodes as well as to provide actual resou…

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.

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

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

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

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

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

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…

Call for Nominations: 16th Annual Privacy Papers for Policymakers Awards
https://fpf.org/blog/call-for-nominations-16th-annual-privacy-papers-for-policymakers-awards/
@…

@pkotrcka@toot.community

aktuelles #Wetter #Behrendorf #Wische 02-09-2025 02:15
Temperatur: (min: 15,8C) 15,8C (max: 16,9C)
Feuchte: 96%
Luftdruck: 1008,9 hPa (gleichbleibend)
Windrichtung: N/A Grad

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

Hier gibt’s gleich #Wein am #Mittelrhein.

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

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…

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…

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

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…

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…

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

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…

[2025-10-01 Wed (UTC), 22 new articles found for cond-mat.mtrl-sci Materials Science]
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Effect of Mixed Ratios of Mangosteen Peel (Garcinia mangostana L.) and Grass Jelly Leaf (Cyclea barbata L. Miers) Natural Dyes on the Performance of Dye-Sensitized Solar Cells (DSSC)
Eka Nurfani, Haifa Salsabila, Dwiky I. Bakhtiar, Wahyu S. Sipahutar, M Alvien Ghifari, Rishal Asri, Meqorry Yusfi, Tarmizi Taher, Aditya Rianjanu, Robi Kurniawan
https://

Effect of Mixed Ratios of Mangosteen Peel (Garcinia mangostana L.) and Grass Jelly Leaf (Cyclea barbata L. Miers) Natural Dyes on the Performance of Dye-Sensitized Solar Cells (DSSC)
Dye-sensitized solar cells (DSSCs) are promising low-cost and environmentally friendly photovoltaic devices, especially when utilizing natural sensitizers. This study explores the effect of concentration ratios of natural dyes extracted from mangosteen peel (MP) and grass jelly leaves (GJL) on the optical, morphological, and photovoltaic properties of DSSCs. Dye solutions were prepared at a fixed concentration of 0.6 g/mL, with the MP:GJL volume ratio varied at 3:1, 2:1, 1:1, 1:2, and 1:3. As a…

Automated and Scalable SEM Image Analysis of Perovskite Solar Cell Materials via a Deep Segmentation Framework
Jian Guo Pan, Lin Wang, Xia Cai
https://arxiv.org/abs/2509.26548 h…

Automated and Scalable SEM Image Analysis of Perovskite Solar Cell Materials via a Deep Segmentation Framework
Scanning Electron Microscopy (SEM) is indispensable for characterizing the microstructure of thin films during perovskite solar cell fabrication. Accurate identification and quantification of lead iodide and perovskite phases are critical because residual lead iodide strongly influences crystallization pathways and defect formation, while the morphology of perovskite grains governs carrier transport and device stability. Yet current SEM image analysis is still largely manual, limiting throughpu…

Peculiarities of spin dynamics excitation by magnetic field of a high-frequency electromagnetic pulse
Nika Gribova, Anatoly Zvezdin, Vladimir Belotelov
https://arxiv.org/abs/2509.26528

Peculiarities of spin dynamics excitation by magnetic field of a high-frequency electromagnetic pulse
Terahertz (THz) electromagnetic pulses offer a promising route for the ultrafast manipulation of magnetization in ferromagnetic materials. While previous studies have demonstrated the excitation of spin dynamics using linearly polarized THz fields, the role of circular polarization and the effects of rapidly oscillating, time-dependent field profiles remained insufficiently understood. We have developed a unified theoretical framework for describing the excitation of spin precession via Zeeman …

Strain-Gradient-Driven Decoupling of Thermal Suppression from Anisotropy in \b{eta}-Ga2O3
Guangwu Zhang, Xing Xiang, Ziyan Qian, Yixin Xu, Shengying Yue, Hyejin Jang, Lin Yang, Yanguang Zhou, Xinyu Wang, Qiye Zheng
https://arxiv.org/abs/2509.26412

Strain-Gradient-Driven Decoupling of Thermal Suppression from Anisotropy in \b{eta}-Ga2O3
Strain gradients, ubiquitous in flexible devices and epitaxial nanostructures, are a major blind spot for thermal transport in \b{eta}-Ga2O3. We establish that strain gradient unlocks a thermal conductivity (k) suppression mechanism fundamentally more potent than uniform strain: moderate uniaxial gradients (0.6%/nm) suppress k by 32-37% (27-30%) in thin films (nanowires), intensifying to 43.3% with biaxial gradients. This reduction far exceeds that from equivalent uniform strain and surpasses b…

MoSe2 and WSe2 shell morphology control via temperature optimization during two-step growth of ZnSe-based core-shell nanowires
Luize Dipane, Liora Kotlara, Viktors Vibornijs, Katrina Laganovska, Aleksejs Zolotarjovs, Eriks Dipans, Jevgenijs Gabrusenoks, Boris Polyakov, Edgars Butanovs
https://arxiv.org/abs/2509.26312

MoSe2 and WSe2 shell morphology control via temperature optimization during two-step growth of ZnSe-based core-shell nanowires
Achieving uniform and controlled transition metal dichalcogenide (TMD) shell growth on nanowires (NWs) remains a key challenge, limiting the development of high-quality core-shell heterostructures for optoelectronic and photocatalytic applications. In this work, the fabrication of ZnSe-MoSe2 and ZnSe-WSe2 core-shell NWs was successfully demonstrated. ZnSe NWs were grown via the vapor-liquid-solid growth mechanism, while TMD (MoSe2 or WSe2) shells were formed through a two-step process of sacrif…

Towards stable metal inorganic-organic complex glasses
Tianzhao Xu, Zhencai Li, Kai Zheng, Hanmeng Zhang, Kenji Shinozaki, Huotian Zhang, Lars R. Jensen, Feng Gao, Jinjun Ren, Yanfei Zhang, Yuanzheng Yue
https://arxiv.org/abs/2509.26288

Towards stable metal inorganic-organic complex glasses
Metal inorganic-organic complex (MIOC) glasses have emerged as a new family of melt-quenched glasses. However, the vitrification of MIOC is challenging since most of the crystalline MIOC precursors decompose before melting. The decomposition problem severely narrows the compositional range of MIOC glass formation. Here, we report a novel approach for preparing the MIOC glasses that combines slow-solvent-removal with subsequent quenching to avoid gel thermal decomposition and crystallization. Sp…

The diffusion-driven orthorhombic to tetragonal transition in YBa$_2$Cu$_3$O$_7$ derived with a machine learning interatomic potential
Davide Gambino, Niccol\`o Di Eugenio, Jesper Byggm\"astar, Johan Klarbring, Daniele Torsello, Flyura Djurabekova, Francesco Laviano
https://arxiv.org/abs/2509.26095

The diffusion-driven orthorhombic to tetragonal transition in YBa$_2$Cu$_3$O$_7$ derived with a machine learning interatomic potential
Defects in high temperature superconductors such as YBa$_2$Cu$_3$O$_7$ (YBCO) critically influence their superconducting behavior, as they substantially degrade or even suppress superconductivity. With the renewed interest in cuprates for next-generation superconducting magnets operating in radiation-harsh environments such as fusion reactors and particle accelerators, accurate atomistic modeling of defects and their dynamics has become essential. Here, we present a general-purpose machine-lear…

Field-tuning of ultrafast magnetization fluctuations in Sm$_{0.7}$Er$_{0.3}$FeO$_{3}$
Marvin Alexander Weiss, Julius Schlegel, Daniel Ani\'c, Emil Steiner, Franz Stefan Herbst, Makoto Nakajima, Takayuki Kurihara, Alfred Leitenstorfer, Ulrich Nowak, Sebastian T. B. Goennenwein
https://arxiv.org/abs/2509.26084

Field-tuning of ultrafast magnetization fluctuations in Sm$_{0.7}$Er$_{0.3}$FeO$_{3}$
The properties of spin fluctuations in antiferromagnets are largely unexplored, in particular at ultrafast timescales. Here, we employ femtosecond noise correlation spectroscopy (FemNoC) to experimentally study magnetization fluctuations in the canted antiferromagnet Sm$_{0.7}$Er$_{0.3}$FeO$_{3}$ across its spin reorientation transition and under external magnetic fields. By comparing our measurements to atomistic spin noise and Monte Carlo simulations, we find that the amplitude of the spin no…

Exact heat flux formula and its spectral decomposition in molecular dynamics for arbitrary many-body potentials
Markos Poulos, Donatas Surblys, Konstantinos Termentzidis
https://arxiv.org/abs/2509.26044

Exact heat flux formula and its spectral decomposition in molecular dynamics for arbitrary many-body potentials
In this study we have derived an exact framework for the calculation of the heat flux and its spec- tral decomposition in Molecular Dynamics (MD) for arbitrary many-body potentials. This work addresses several lacks and limitations of previous approaches and allows for the accurate computa- tional study of thermal properties in a wide variety of many-body systems with MD. We have tested our modifications with Green-Kubo (GK) and Non-Equilibrium MD (NEMD) simulations for vari- ous 2D and 3D mate…

Topological Textures in Zr-Substituted Barium Titanate
Florian Mayer
https://arxiv.org/abs/2509.26023 https://arxiv.org/pdf/2509.26023

Topological Textures in Zr-Substituted Barium Titanate
Topological polarization textures in ferroelectrics offer pathways to dense memory, neuromorphic computing, and controlled probes of topology in solids. In rhombohedral barium titanate, theory has identified stable antiskyrmions of topological charge -2 that fractionalize into six -1/3 fractional hotspots, termed topological quarks. Here we extend this landscape to Zr-substituted barium titanate (BZT) using a first-principles parameterized effective-Hamiltonian framework. In an ordered 12.5% co…

Accelerated Discovery of High-\k{appa} Oxides with Physics-Based Factorized Machine Learning
Atsushi Takigawa, Shin Kiyohara, Yu Kumagai
https://arxiv.org/abs/2509.26022 https:/…

Accelerated Discovery of High-\k{appa} Oxides with Physics-Based Factorized Machine Learning
Considerable effort continues to be devoted to the exploration of next-generation high-\k{appa} materials that combine a high dielectric constant with a wide band gap. However, machine learning (ML)-based virtual screening has remained challenging, primarily due to the low accuracy in predicting the ionic contribution to the dielectric tensor, which dominates the dielectric performance of high-\k{appa} materials. We here propose a joint ML model that predicts Born effective charges using an equ…

Revealing Hidden Antiparallel Domains in Hexagonal Boron Nitride
Yeri Lee, Juseung Oh, Kyung Yeol Ma, Seung Jin Lee, Eui Young Jung, Yani Wang, Kenji Watanabe, Takashi Taniguchi, Hailin Peng, Hiroki Ago, Ki Kang Kim, Hyeon Suk Shin, Sunmin Ryu
https://arxiv.org/abs/2509.25910

Revealing Hidden Antiparallel Domains in Hexagonal Boron Nitride
Hexagonal boron nitride (hBN) supports a wide range of two-dimensional (2D) technologies, yet assessing its crystalline quality over large areas remains a fundamental challenge. Both antiparallel domains, an intrinsic outcome of epitaxy on high-symmetry substrates, and orientational domains have long evaded optical detection. Here, we show that interferometric second-harmonic generation (SHG) polarimetry provides a powerful, non-destructive probe of lattice orientation and structural integrity …

Kinetics of the photochromic effect in oxygen-containing rare-earth hydrides
Dmitrii Moldarev, Tuan T. Tran, Max Wolff, Daniel Primetzhofer
https://arxiv.org/abs/2509.25887 http…

Kinetics of the photochromic effect in oxygen-containing rare-earth hydrides
The kinetics of the photochromic reaction of oxygen-containing rare-earth hydrides is commonly described by an exponential function assuming a single-step process. In this paper, we elaborate on the origin of the photochromic effect in oxygen-containing rare-earth metal hydrides, considering the kinetics of the reaction as a two-step process. We show that the fit to the experimental data is improved drastically when two processes that cause the photodarkening are assumed: a fast reaction rate-l…

Fine-Tuning Bulk-oriented Universal Interatomic Potentials for Surfaces: Accuracy, Efficiency, and Forgetting Control
Jaekyun Hwang, Taehun Lee, Yonghyuk Lee, Su-Hyun Yoo
https://arxiv.org/abs/2509.25807

Fine-Tuning Bulk-oriented Universal Interatomic Potentials for Surfaces: Accuracy, Efficiency, and Forgetting Control
Accurate prediction of surface energies and stabilities is essential for materials design, yet first-principles calculations remain computationally expensive and most existing interatomic potentials are trained only on bulk systems. Here, we demonstrate that fine-tuning foundation machine learning potentials (MLPs) significantly improves both computational efficiency and predictive accuracy for surface modeling. While existing universal interatomic potentials (UIPs) have been solely trained and…

Discovery of oxide Li-conducting electrolytes in uncharted chemical space via topology-constrained crystal structure prediction
Seungwoo Hwang, Jiho Lee, Seungwu Han, Youngho Kang, Sungwoo Kang
https://arxiv.org/abs/2509.25763

Discovery of oxide Li-conducting electrolytes in uncharted chemical space via topology-constrained crystal structure prediction
Oxide Li-conducting solid-state electrolytes (SSEs) offer excellent chemical and thermal stability but typically exhibit lower ionic conductivity than sulfides and chlorides. This motivates the search for new oxide materials with enhanced conductivity. Crystal structure prediction is a powerful approach for identifying such candidates. However, the structural complexity of oxide SSEs, often involving unit cells with more than 100 atoms, presents significant challenges for conventional methods. …

Fingerprinting Organic Molecules for the Inverse Design of Two-Dimensional Hybrid Perovskites with Target Energetics
Yongxin Lyu, Yifan Zhou, Yu Zhang, Yang Yang, Bosen Zou, Qiang Weng, Tong Xie, Claudio Cazorla, Jianhua Hao, Jun Yin, Tom Wu
https://arxiv.org/abs/2509.25728

Fingerprinting Organic Molecules for the Inverse Design of Two-Dimensional Hybrid Perovskites with Target Energetics
Artificial intelligence (AI)-assisted workflows have transformed materials discovery, enabling rapid exploration of chemical spaces of functional materials. Endowed with extraordinary optoelectronic properties, two-dimensional (2D) hybrid perovskites represent an exciting frontier, but current efforts to design 2D perovskites rely heavily on trial-and-error and expert intuition approaches, leaving most of the chemical space unexplored and compromising the design of hybrid materials with desired…

Lithium depth profiling in NMC/Graphite commercial coin cells under high C-rate cycling
Naisargi Kanabar, Seiichiro Higashiya, Daniele Cherniak, Devendra Sadana, Stephen Bedell, Haralabos Efstathiadis
https://arxiv.org/abs/2509.25697

Lithium depth profiling in NMC/Graphite commercial coin cells under high C-rate cycling
This study examines lithium distribution and its evolution in both anode and cathode materials of commercial lithium-ion coin cells subjected to high C-rate cycling, providing insights into lithium loss, trapping, and plating mechanisms. Cells were cycled at 1C to 3C rates, and post-mortem analysis were performed using Li nuclear reaction Analysis (Li-NRA), x-ray diffraction (XRD), and scanning electron microscopy (SEM) equipped with energy-dispersive x-ray spectroscopy (EDS). Li-NRA using the …

Spin and Orbital Edelstein effect in gated monolayer transition metal dichalcogenides
Tapesh Gautam, S. Satpathy
https://arxiv.org/abs/2509.25634 https://a…

Spin and Orbital Edelstein effect in gated monolayer transition metal dichalcogenides
The Edelstein effect consists of the non-equilibrium accumulation of magnetization in response to an applied electric field in systems with broken inversion symmetry. While the spin Edelstein effect (SEE), originating from spin moments, is well established, its orbital counterpart, where magnetization arises from orbital moment, has only recently begun to attract attention. In this work, we investigate the orbital Edelstein effect (OEE) in gated monolayer transition-metal dichalcogenides (TMDs)…

Kinetic Monte Carlo prediction of the morphology of pentaerythritol tetranitrate
Jacob Jeffries, Himanshu Singh, Romain Perriot, Christian Negre, Antonio Redondo, Enrique Martinez
https://arxiv.org/abs/2509.25490

Kinetic Monte Carlo prediction of the morphology of pentaerythritol tetranitrate
In this work, we develop an atomistic, graph-based kinetic Monte Carlo (KMC) simulation routine to predict crystal morphology. Within this routine, we encode the state of the supercell in a binary occupation vector and the topology of the supercell in a simple nearest-neighbor graph. From this encoding, we efficiently compute the interaction energy of the system as a quadratic form of the binary occupation vector, representing pairwise interactions. This encoding, coupled with a simple diffusio…

Design Principles for Topological Thermoelectrics
Brian Skinner, Poulomi Chakraborty, Joshua Scales, Joseph P. Heremans
https://arxiv.org/abs/2509.25371 https://

Design Principles for Topological Thermoelectrics
Conventional metals, insulators, and semimetals are constrained by fundamental limitations in terms of their thermoelectric performance. Topological materials offer certain features that allow them to circumvent these constraints, and potentially to form the basis for thermoelectric devices with unprecedented efficiency. In this article we review the thermoelectric performance of topological materials, focusing specifically on nodal semimetals, such as Weyl and nodal-line semimetals. We discuss…

High-efficiency Pt75Au25-based spintronic terahertz emitters
Wenlu Shi, Gene D. Nelson, Han-Hsuan Wu, Yiwei Ju, Xiaoqing Pan, Wilson Ho, Ilya N. Krivorotov
https://arxiv.org/abs/2509.25303

High-efficiency Pt75Au25-based spintronic terahertz emitters
Spintronic terahertz emitters (STEs) generate broadband THz radiation via ultrafast spin-charge conversion in magnetic multilayers, offering spectral coverage beyond that of photoconductive antennas and nonlinear optical crystals. Here, we demonstrate a new type of STE based on PtxAu100-x alloy that achieves signifi- cantly higher THz output power than widely used Pt-based devices. Alloy composition and layer thickness tuning yield Pt75Au25 as the optimal alloy providing a 30 % increase in THz …