Tootfinder

1/4-Finale in der #ErimaGFL und Relegation im Stream auf SportEuropeTV! Aktuell läuft alles nach Plan im #AmericanFootball

Activist Els Rechts vindt Wilders een ‘toffe peer’ en links het gif van de samenleving | de #Volkskrant
https://www.volkskrant.nl/binnenland/ac…

Leckerstes Mittagessen, wer sagt denn, Rotwein passt „nur“ zu rotem Fleisch!

Standard Spot and Dolly
#Greyhounds #AdoptDontShop

Me uploading E1 of the show onto FilmHub

Series C, Episode 03 - Volcano
AVON: Is there any weaponry activity of any kind registering on Obsidian?
ZEN: Negative.
AVON: None whatsoever? Run the scan again.
https://blake.torpidity.net/m/303/352 B7B2

65 Minuten nach der Landung im Hotelzimmer. Trotz rund 20 Minuten auf den Hotel-Shuttle warten.
Rekordschnelle Einreise.
Unterwegs mit Swiss free Internet sah ich zwar alle Pushs von BlueSky, aber konnte keine Posts lesen. 🤷‍♂️
#CANEast25

I really like the William's white nose livery for the #USGP

festiverse.de --> v4.4.7
#update #Mastodon

FIVEAA SANFL Show
Great Australian Pods Podcast Directory: #GreatAusPods

Człowiek myśli, że poszedł do parku, a tu się okazuje, że poszedł do "terenu zwanego parkiem".
#Płock

Noch ziemlich ruhig hier! #Werrepark #BadOeYnhausen

@… for real life?!

FPF Releases Issue Brief on New CCPA Regulations for Automated Decisionmaking Technology, Risk Assessments, and Cybersecurity Audits
https://fpf.org/blog/fpf-releases-issue-brief-on-new-cc…

#Hamburg - "Aktiv gegen #Einsamkeit Mutly - holt ältere Menschen von zu Hause ab und begleitet sie zu Veranstaltungen.
#Senioren

Barrierefreie Ausflüge: Wie ein Begleitservice Senioren teilhaben lässt
In der Woche des Bürgerschaftlichen Engagements steht überall im Land das Ehrenamt im Mittelpunkt. Das Motto in diesem Jahr: "Aktiv gegen Einsamkeit". Mutly - eine gemeinnützige Organisation aus Hamburg - holt ältere Menschen von zu Hause ab und begleitet sie zu Veranstaltungen.

#Playoffs in der #ErimaGFL Wohooo Let´s GO. #AmericanFootball

"Wir gingen voran und gehen weiter mit" https://weddingweiser.de/wir-gingen-voran-und-gehen-weiter-mit/

Redbubble’s just corporate print‑on‑demand junk, wasteful and bad for the planet, but at least I snagged some anarchist designs for myself.
#Anarchism #Syndicalism #AnarchoSyndicalism

I am a comedic genius

"Researchers call this mummy the Younger Lady. DNA analysis indicates that she is King Tut’s mother and a sister of Akhenaten, but her name is unknown."

Ausflug nach Frankfurt und jetzt noch #unicornsfootball in der #ErimaGFL im Büro anschauen. #AmericanFootball

Replaced article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Exploring the third dimension in quantum confinement of surface electrons
Lyu, Eul, Yao, Xiao, Ashoush, El-Fattah, Piquero-Zulaica, Barth, Aeschlimann, Stadtm\"ull…

Welche IT Propaganda soll ich heute im Fediverse tooten?!?? Ich kann nicht mehr hier fast nur negative Links teilen!1!!
Danke es geht mir soweit gut.
P.S. ich hör nicht auf
#fediverse #propaganda #itnews

Replaced article(s) found for cond-mat.soft. https://arxiv.org/list/cond-mat.soft/new
[1/1]:
- A Modified Landau-de Gennes Theory for Smectic Liquid Crystals: Phase Transitions and Structural ...
Baoming Shi, Yucen Han, Chengdi Ma, Apala Majumdar, Lei Zhang

libimseti: Libimseti.cz social network (2012)
A network of ratings given between users at Libimseti.cz, a Czech online dating website. A directed edge (i,j) means that user i rate user j, and the corresponding edge weight is the given rating, on a scale of 1-10.
This network has 220970 nodes and 17359346 edges.
Tags: Social, Online, Weighted

Wurzelnder Bitterröhrling, leider nur bedingt essbar. Gefunden im Park oberhalb unserer Wohnung. Rote Liste?
#fungiverse #fungiworld

Moody Urbanity - Odes III 🎵
情绪化城市 - 颂 III 🎵
📷 Zeiss Super Ikonta 533/16
🎞️ Ilford HP5 Plus, expired 1993
#filmphotography #Photography #blackandwhite

Impact of a transient neonatal visual deprivation on the development of the ventral occipito-temporal cortex in humans https://www.nature.com/articles/s41467-025-65468-7 "while EVC is permanently affected by early deprivation, categorical coding in VOTC shows resilience"; <…

Impact of a transient neonatal visual deprivation on the development of the ventral occipito-temporal cortex in humans - Nature Communications
This study shows that transient blindness at birth leaves lasting effects on early visual functions, while higher visual regions encoding categories remain unaffected, revealing different sensitive periods for different functions in vision.

Happy 35th Birthday, Guybrush Threepwood!
The Secret of Monkey Island was released in October 1990.

Das weiß man doch! 😅
#pastpuzzle 131
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https://www.pastpuzzle.de
🦯🐔➡️🌽

Israel-based Irregular, which works with leading AI labs like OpenAI to mitigate cybersecurity risks, raised $80M led by Sequoia Capital and Redpoint Ventures (Globes)
https://en.globes.co.il/en/article-israeli-ai-security-lab-irregular-raises-80m-1…

Israeli AI security lab Irregular raises $80m
The company works closely with leading AI labs like OpenAI and Anthropic to mitigate cybersecurity risks posed by advanced AI models while protecting the models from cyber attacks.

Sony Music Group joins UMG, Warner Music, and Kobalt in signing a direct licensing agreement with Spotify, allowing for greater freedom to negotiate (Jem Aswad/Variety)
https://variety.com/2025/digital/news/sony-music-spotify-new-deal-direct-lic…

Sony Music and Spotify Announce New Deal, With Direct Licensing
Sony Music and Spotify have announced an extension of their partnership, which includes a new direct licensing arrangement for publishing in the U.S.

“#pastpuzzle 131
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3/4 🥉” https://www.pastpuzzle.de/

“Web is losing” is returning to my mind more often than I’d like
https://infrequently.org/2024/10/platforms-are-competitions/

Platform Strategy and Its Discontents
Alex Russell on browsers, standards, and the process of progress.

#pastpuzzle 131
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x/4 🟥
https://www.pastpuzzle.de

#pastpuzzle 131
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Doof ey
#pastpuzzle 131
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https://www.pastpuzzle.de

To appear unconditioned, sometimes even absolute, yet floating in a sea of conditioning, a web of interdependence. Is this noble, or deeply foolish. Who's the fool?

Crosslisted article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Attosecond high-harmonic interferometry probes orbital- and band-dependent dipole phase in magnes...
Kuzkova, van Essen, de Keijzer, Silva, Galan, Kraus

Crosslisted article(s) found for cond-mat.soft. https://arxiv.org/list/cond-mat.soft/new
[1/1]:
- Cell clusters sense their global shape to drive collective migration
T\'ermens, Pi-Jaum\`a, Lavi, Matej\v{c}i\'c, Fortunato, Trepat, Casademunt

https://www.open-flair.de/news/1314-registriere-dich-jetzt-fuers-green-camping

Regularized Perturbation Theory for Ab initio Solids
Meng-Fu Chen, Jinghong Zhang, Hieu Q. Dinh, Adam Rettig, Joonho Lee
https://arxiv.org/abs/2508.15744 https://

Regularized Perturbation Theory for Ab initio Solids
Second-order Moller-Plesset perturbation theory (MP2) for ab initio simulations of solids is often limited by divergence or over-correlation issues, particularly in metallic, narrow-gap, and dispersion-stabilized systems. We develop and assess three regularized second-order perturbation theories: $κ$-MP2, $σ$-MP2, and the size-consistent Brillouin-Wigner approach (BW-s2), across metals, semiconductors, molecular crystals, and rare gas solids. BW-s2 achieves high accuracy for cohesive energies…

@… 😭 it's true

Lol how they had to change Leclerc's #2 billboard #BrazilGP

Bacteria collective motion is scale-free
Benjamin Perez-Estay, Vincent Martinez, Carine Douarche, Jana Schwarz-Linek, Jochen Arlt, Pierre-Henri Delville, Gail McConnell, Wilson C. K. Poon, Anke Lindner, Eric Clement
https://arxiv.org/abs/2509.15918

Bacteria collective motion is scale-free
Suspensions of swimming bacteria interact hydrodynamically over long ranges, organizing themselves into collective states that drive large-scale chaotic flows, often referred to as "bacterial turbulence". Despite extensive experimental and theoretical work, it remains unclear whether an intrinsic length scale underlies the observed patterns. To shed light on the mechanism driving active turbulence, we investigate the emergence of large-scale flows in E. coli suspensions confined within cylindri…

Principled, yet divinely impersonal

High Harmonic Spectroscopy from Lower-Order to Higher-Order Topological Insulators
Bryan Lorenzo, Camilo Granados, Dasol Kim, Carlos Batista, Jean Menotti, Feng Liu, Wenlong Gao, Alexis Chacon
https://arxiv.org/abs/2508.15631

High Harmonic Spectroscopy from Lower-Order to Higher-Order Topological Insulators
Over the last decade, high-harmonic spectroscopy has been successfully extended to the study of ultrafast electron motion in solids, shedding light on fundamental processes such as Bloch oscillations and higher-order nonlinear phenomena. In this work, we present theoretical studies of high-harmonic spectroscopy applied to topological materials including higher-order ones, focusing on several key observables associated with high-harmonic generation - namely, helicity, circular dichroism, and ell…

Ring polymers in two-dimensional melts double-fold around randomly branching "primitive shapes"
Mattia A. Ubertini, Angelo Rosa
https://arxiv.org/abs/2509.15757 https:…

Ring polymers in two-dimensional melts double-fold around randomly branching "primitive shapes"
Drawing inspiration from the concept of the "primitive path" of a linear chain in melt conditions, we introduce here a numerical protocol which allows us to detect, in an unambiguous manner, the "primitive shapes" of ring polymers in two-dimensional melts. Then, by analysing the conformational properties of these primitive shapes, we demonstrate that they conform to the statistics of two-dimensional branched polymers (or, trees) in the same melt conditions, in agreement with seminal theoretical…

Miguel Ángel Russo passed away yesterday. Besides his sports achievements, he was loved and respected everywhere he go. And he died doing what he loved and being fully conscious about it, I can't think of a better way to leave this life.
Today, football is a little bit worse.
https://www.batimes.…

RE: https://festiverse.de/@marek/114598517248961071
Festiverse nun auch auf Version 4.5.0

Heute hat es noch ein Nachholspiel für die Galerie. Die #cowboys müssen zu den #comets. Nächste Woche starten in der #ErimaGFL die

Universal Machine Learning Potential for Systems with Reduced Dimensionality
Giulio Benedini, Antoine Loew, Matti Hellstrom, Silvana Botti, Miguel A. L. Marques
https://arxiv.org/abs/2508.15614

Universal Machine Learning Potential for Systems with Reduced Dimensionality
We present a benchmark designed to evaluate the predictive capabilities of universal machine learning interatomic potentials across systems of varying dimensionality. Specifically, our benchmark tests zero- (molecules, atomic clusters, etc.), one- (nanowires, nanoribbons, nanotubes, etc.), two- (atomic layers and slabs) and three-dimensional (bulk materials) compounds. The benchmark reveals that while all tested models demonstrate excellent performance for three-dimensional systems, accuracy de…

Diffusion of gravitactic chiral active Brownian particles in an asymmetric channel
Narender Khatri, Vikas Sharma, Anton F. Burnet, Suneet Kumar Awasthi
https://arxiv.org/abs/2509.15630

Diffusion of gravitactic chiral active Brownian particles in an asymmetric channel
The diffusion of micro- and nano-swimmers in a fluid, confined within irregular structures that impose entropic barriers, is often modeled using overdamped active Brownian dynamics, where viscous effects are paramount and inertia is negligible. Here, we numerically investigate the diffusive behavior of chiral self-propelled particles in a two-dimensional asymmetric channel subjected to an external torque arising from a gravitational field. We reveal the emergence of resonant diffusion when the …

Crippling case of feddiction

Octahedral tilting and B-site off-centering in halide perovskites are not coupled
Colin M. Hylton-Farrington, Richard C. Remsing
https://arxiv.org/abs/2508.15607 https://…

Octahedral tilting and B-site off-centering in halide perovskites are not coupled
Metal halide perovskites show exceptional potential for solar energy, thermoelectrics, catalysis, and other photochemical technologies, with performance rooted in electronic structure-driven properties. In ABX3 halide perovskites, localized and often aspherical local electron densities from B-site lone pairs or polarizable X- anions can distort the lattice. However, the links among electronic structure fluctuations and distortions like tilting of the BX6 octahedra and off-centering of the B-sit…

Machine-Learning Potentials for Efficient Simulations of Anisotropic Colloids
B. Rusen Argun, Antonia Statt
https://arxiv.org/abs/2509.15504 https://arxiv.…

Machine-Learning Potentials for Efficient Simulations of Anisotropic Colloids
Simulating interactions between non-spherical colloidal particles is computationally challenging due to the complex dependency of forces and energies on their geometry. We introduce and evaluate both descriptor-based and end-to-end models for predicting interaction energies and forces. Then, we compare various descriptors coupled with different regression models, like Behler-Parinello descriptors, Smooth Overlap of Atomic Positions, and neuroevolution potential, as well as multiple end-to-end m…

#tazgenossenschaft https://mastodon.social/@tazgetroete/115196968244154389

A great article on the actual role of commercial space companies.
In space, nobody can hear you budget by Sinéad O’Sullivan
https://www.ft.com/content/1317155e-9a5e-4099-9a67-407d83bb76fb?sharetype=blocked

Electronic structure of the interface between Au and WSe2
Laxman Nagireddy, Samuel J. Magorrian, Matthew D. Watson, Yogal Prasad Ghimirey, Marc Walker, Cephise Cacho, Neil R. Wilson, Nicholas D. M. Hine
https://arxiv.org/abs/2508.15600

Electronic structure of the interface between Au and WSe2
Understanding the interface between metals and two-dimensional materials is critical for their application in electronics and for the development of metal-mediated exfoliation of large area monolayers. Studying the intricate interactions at the interface requires model systems that enable control of the roughness, purity, and crystallinity of the metal surface. Here, we investigate the layer-dependent electronic structure of WSe_2 on template-stripped gold substrates fabricated using both silic…

Competing Supramolecular Structures: Dielectric and Rheological Spectroscopy on Glycerol/Propanol Mixtures
Jan Philipp Gabriel
https://arxiv.org/abs/2509.15341 https://

Competing Supramolecular Structures: Dielectric and Rheological Spectroscopy on Glycerol/Propanol Mixtures
Significant progress has been made in recent years in understanding the dynamics of pure hydrogen-bonded systems by analyzing the spectral shape of various susceptibilities. Monohydroxy- and polyalcohols are currently considered to form transient supramolecular hydrogen-bonded structures in the form of chains, rings, and networks. This complex dynamic behavior has been identified in network-forming glycerol and chain-forming propanol by combining dielectric and light-scattering spectra. We appl…

Es wird nicht besser mit diesem irren Faschisten! Er und „seine“ Dienstleistungen/Produkte sind vollständig zu meiden!
https://norden.social/@hart/115195937531735058

Ultrastrong and ductile CoNiMoAl medium-entropy alloys enabled by L12 nanoprecipitate-induced multiple deformation mechanisms
Min Young Sung, Tae Jin Jang, Sang Yoon Song, Gunjick Lee, KenHee Ryou, Sang-Ho Oh, Byeong-Joo Lee, Pyuck-Pa Choi, J\"org Neugebauer, Blazej Grabowski, Fritz K\"ormann, Yuji Ikeda, Alireza Zargaran, Seok Su Sohn
https://…

Ultrastrong and ductile CoNiMoAl medium-entropy alloys enabled by L12 nanoprecipitate-induced multiple deformation mechanisms
L12 precipitates are known to significantly enhance the strength and ductility of single-phase face-centered cubic (FCC) medium- or high-entropy alloys (M/HEAs). However, further improvements in mechanical properties remain untapped, as alloy design has historically focused on systems with specific CrCoNi- or FeCoCrNi-based FCC matrix and Ni3Al L12 phase compositions. This study introduces novel Co-Ni-Mo-Al alloys with L12 precipitates by systematically altering Al content, aiming to bridge thi…

[2025-09-22 Mon (UTC), 5 new articles found for cond-mat.soft Soft Condensed Matter]
toXiv_bot_toot

Genossenschaftsversammlung der @… heute virtuell! #tazgenossenschaft

Predictive models for strain energy in condensed phase reactions
Baptiste Martin, Shukai Yao, Chunyu Li, Anthony Bocahut, Matthew Jackson, Alejandro Strachan
https://arxiv.org/abs/2508.15592

Predictive models for strain energy in condensed phase reactions
Molecular modeling of thermally activated chemistry in condensed phases is essential to understand polymerization, depolymerization, and other processing steps of molecular materials. Current methods typically combine molecular dynamics (MD) simulations to describe short-time relaxation with a stochastic description of predetermined chemical reactions. Possible reactions are often selected on the basis of geometric criteria, such as a capture distance between reactive atoms. Although these simu…

Replaced article(s) found for cond-mat.soft. https://arxiv.org/list/cond-mat.soft/new
[1/1]:
- Structural Anisotropy Stabilises Asymmetric Beating in Instability Driven Filaments
Bethany Clarke, Yongyun Hwang, Eric E Keaveny

Automated Modeling of Polarons: Defects and Reactivity on TiO$_2$(110) Surfaces
Firat Yalcin, Carla Verdi, Viktor C. Birschitzky, Matthias Meier, Michael Wolloch, Michele Reticcioli
https://arxiv.org/abs/2508.15572

Automated Modeling of Polarons: Defects and Reactivity on TiO$_2$(110) Surfaces
Polarons are widespread in functional materials and are key to device performance in several technological applications. However, their effective impact on material behavior remains elusive, as condensed matter studies struggle to capture their intricate interplay with atomic defects in the crystal. In this work, we present an automated workflow for modeling polarons within density functional theory (DFT). Our approach enables a fully automatic identification of the most favorable polaronic con…

Crosslisted article(s) found for cond-mat.soft. https://arxiv.org/list/cond-mat.soft/new
[1/1]:
- A cell-level model to predict the spatiotemporal dynamics of neurodegenerative disease
Shih-Huan Huang, Matthew W. Cotton, Tuomas P. J. Knowles, David Klenerman, Georg Meisl

Lattice distortions and non-sluggish diffusion in BCC refractory high entropy alloys
Jingfeng Zhang, Xiang Xu, Fritz K\"ormann, Wen Yin, Xi Zhang, Christian Gadelmeier, Uwe Glatzel, Blazej Grabowski, Runxia Li, Gang Liu, Biao Wang, Gerhard Wilde, Sergiy V. Divinski
https://arxiv.org/abs/2508.15558…

Lattice distortions and non-sluggish diffusion in BCC refractory high entropy alloys
Refractory high-entropy alloys (RHEAs) have emerged as promising candidates for extreme high-temperature applications, for example, in next-generation turbines and nuclear reactors. In such applications, atomic diffusion critically governs essential properties including creep resistance and microstructural stability. The present study systematically investigates impurity diffusion of Co, Mn, and Zn in single phase (BCC solid solution) HfTiZrNbTa and HfTiZrNbV RHEAs applying the radiotracer tech…

Taxonomy of defects in semi-dry transferred CVD graphene
N. Reckinger, B. Hackens
https://arxiv.org/abs/2508.15549 https://arxiv.org/pdf/2508.15549

Taxonomy of defects in semi-dry transferred CVD graphene
Post-transfer in-depth morphological characterization of graphene grown by chemical vapor deposition (CVD) is of great importance to evaluate the quality and to understand the origin of defects of the transferred sheets. Herein, a semi-dry transfer technique is used to peel off millimeter-sized CVD graphene flakes from polycrystalline copper foils and transfer them onto SiO2/Si substrates. We take advantage of the unique feature of this semi-dry process: it preserves the copper substrate, enabl…

Accurate complex-stacking-fault Gibbs energy in Ni3Al at high temperatures
Xiang Xu, Xi Zhang, Andrei Ruban, Siegfried Schmauder, Blazej Grabowski
https://arxiv.org/abs/2508.15528

Accurate complex-stacking-fault Gibbs energy in Ni3Al at high temperatures
To gain a deeper insight into the anomalous yield behavior of Ni3Al, it is essential to obtain temperature-dependent formation Gibbs energies of the relevant planar defects. Here, the Gibbs energy of the complex stacking fault (CSF) is evaluated using a recently proposed ab initio framework [Acta Materialia, 255 (2023) 118986], accounting for all thermal contributions - including anharmonicity and paramagnetism - up to the melting point. The CSF energy shows a moderate decrease from 300K to abo…

NMR evidence for an antisite-induced magnetic moment on Bi in a topological insulator heterostructures MnBi2Te4/(Bi2Te3)n
R. Kalvig, E. Jedryka, A. Lynnyk, P. Skupinski, K. Grasza, M. Wojcik
https://arxiv.org/abs/2508.15527

NMR evidence for an antisite-induced magnetic moment on Bi in a topological insulator heterostructures MnBi2Te4/(Bi2Te3)n
MnBi2Te4 (MBT) is the first intrinsic magnetic topological insulator, combining a topologically protected surface metallic state and intrinsic magnetic order. A structural compatibility with the nonmagnetic Bi2Te4 (BT) parent compound gives a possibility to create MBT/BT heterostructures and manipulate their magnetic state in view of optimizing the Quantum Anomalous Hall Effect (QAHE). In this work an extensive NMR study, supported by the bulk magnetization measurements has been performed at 4.…

Revisiting thermal transport in CuCl: First-principles calculations and machine learning force fields
Ashis Kundu, Florian Knoop, Igor A. Abrikosov
https://arxiv.org/abs/2508.15525

Revisiting thermal transport in CuCl: First-principles calculations and machine learning force fields
Accurate prediction of lattice thermal conductivity ($κ_l$) in strongly anharmonic materials requires renormalized interatomic force constants (IFCs) and appropriate incorporation of diagonal and off-diagonal contributions and higher-order scattering. We investigate CuCl, a highly anharmonic system with a simple zincblende structure and ultralow $κ_l$. Our calculations, including IFC renormalization and four-phonon scattering, show excellent agreement with the experiment, underscoring the cri…

Attention-Based Explainability for Structure-Property Relationships
Boris N. Slautin, Utkarsh Pratiush, Yongtao Liu, Hiroshi Funakubo, Vladimir V. Shvartsman, Doru C. Lupascu, Sergei V. Kalinin
https://arxiv.org/abs/2508.15493

Attention-Based Explainability for Structure-Property Relationships
Machine learning methods are emerging as a universal paradigm for constructing correlative structure-property relationships in materials science based on multimodal characterization. However, this necessitates development of methods for physical interpretability of the resulting correlative models. Here, we demonstrate the potential of attention-based neural networks for revealing structure-property relationships and the underlying physical mechanisms, using the ferroelectric properties of PbTi…

Competition Between Controllable Non-Radiative and Intrinsic Radiative Second-Order Recombination in Halide Perovskites
Dengyang Guo, Alan R. Bowman, Sebastian Gorgon, Changsoon Cho, Youngkwang Jung, Jiashang Zhao, Linjie Dai, Jaewang Park, Kyung Mun Yeom, Satyawan Nagane, Stuart Macpherson, Weidong Xu, Jun Hong Noh, Sang Il Seok, Tom Savenije, Samuel D. Stranks

Competition Between Controllable Non-Radiative and Intrinsic Radiative Second-Order Recombination in Halide Perovskites
Halide perovskite solar cells have demonstrated a rapid increase in power conversion efficiencies. Understanding and mitigating remaining carrier losses in halide perovskites is now crucial to enable further increases to approach their practical efficiency limits. Whilst the most widely known non-radiative recombination from solar cells relates to carrier trapping and is first order in carrier density, recent reports have revealed a non-radiative pathway that is second order. However, the origi…

Strong lead-free bioinspired piezoceramics for durable energy transducers
Ruxue Yang, Temesgen Tadeyos Zate, Soumyajit Mojumder, Oriol Gavalda-Diaz, Zihe Li, Ajeet Kumar, James Roscow, Hamideh Khanbareh, Astri Bj{\o}rnetun Haugen, Florian Bouville
https://arxiv.org/abs/2508.15382

Strong lead-free bioinspired piezoceramics for durable energy transducers
Durable, high-performance and eco-friendly lead-free piezoceramics are essential for next-generation sustainable energy transducers and electromechanical systems. While significant performance enhancements have been made, through chemical composition, texture, or crystal defects, piezoceramics are intrinsically weak mechanically, which negatively impact their working conditions and durability. What's more, improving comprehensive mechanical durability without sacrificing piezoelectric performan…

The effect of multi-occupancy traps on the diffusion and retention of multiple hydrogen isotopes in irradiated tungsten and vanadium
Sanjeet Kaur, Daniel R. Mason, Prashanth Srinivasan, Stephen Dixon, Sid Mungale, Teresa Orr, Mikhail Yu. Lavrentiev, Duc Nguyen-Manh
https://arxiv.org/abs/2508.15341 …

The effect of multi-occupancy traps on the diffusion and retention of multiple hydrogen isotopes in irradiated tungsten and vanadium
We propose a computational scheme for the diffusion and retention of multiple hydrogen isotopes (HI) with multi-occupancy traps parameterized by first principles calculations. We show that it is often acceptable to reduce the complexity of the coupled differential equations for gas evolution by taking the dynamic steady state, a generalisation of the Oriani equilibrium for multiple isotopes and multi-occupancy traps. The effective gas diffusivity varies most with mobile fraction when the total …

A rutile-based homologous series Na(PtO$_2$)$_{2\it{n} 1}$ discovered by computationally assisted high-pressure synthesis
Yasuhito Kobayashi, Hidefumi Takahashi, Shunsuke Kitou, Akitoshi Nakano, Hajime Sagayama, Yuichi Yamasaki, Shintaro Ishiwata
https://arxiv.org/abs/2508.15223

A rutile-based homologous series Na(PtO$_2$)$_{2\it{n}+1}$ discovered by computationally assisted high-pressure synthesis
Layered transition metal oxides typified by the Ruddlesden-Popper phase have been extensively studied for its applications in high-temperature superconductivity, catalysis, and battery technologies. Despite the remarkable structural diversity and catalytic functionality of platinum oxides, the exploration of layered polymorphs has remained significantly constrained mainly due to the high inertness of platinum. Here, we discover a new homologous series of layered ternary oxides, Na(PtO$_2$)$_{2\…

Unraveling Shear Strain Induced Ferroelectric-to-Antiferroelectric Phase Transition and Accessing Intrinsic Antiferroelectricity in Two-dimensional NbOCl2
Jiawei Mao, Yinglu Jia, Gaoyang Gou, Shi Liu, Xiao Cheng Zeng
https://arxiv.org/abs/2508.15200

Unraveling Shear Strain Induced Ferroelectric-to-Antiferroelectric Phase Transition and Accessing Intrinsic Antiferroelectricity in Two-dimensional NbOCl2
Compared to the well studied two-dimensional (2D) ferroelectricity, much rare is the appearance of 2D antiferroelectricity, where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely orientated. Using NbOCl2 monolayer with competing ferroelectric (FE) and antiferroelectric (AFE) phases as a 2D material platform, we demonstrate the emerging of intrinsic antiferroelectricity in NbOCl2 monolayer under the experimentally accessible shear strain, and new functionality…

Microstructural and preliminary optical and microwave characterization of erbium doped CaMoO$_4$ thin films
Ignas Masiulionis, Bonnie Y. X. Lin, Sagar Kumar Seth, Gregory D. Grant, Wanda L. Lindquist, Sungjoon Kim, Junghwa Kim, Angel Yanguas-Gil, Jeffrey W. Elam, Jiefei Zhang, James M. LeBeau, David D. Awschalom, Supratik Guha
https://arxi…

Microstructural and preliminary optical and microwave characterization of erbium doped CaMoO$_4$ thin films
This work explores erbium-doped calcium molybdate (CaMoO$_4$) thin films grown on silicon and yttria stabilized zirconia (YSZ) substrates, as a potential solid state system for C-band (utilizing the $\sim$1.5 $μ$m Er$^{3+}$ 4f-4f transition) quantum emitters for quantum network applications. Through molecular beam epitaxial growth experiments and electron microscopy, X-ray diffraction and reflection electron diffraction studies, we identify an incorporation limited deposition regime that enabl…

Equivariant Electronic Hamiltonian Prediction with Many-Body Message Passing
Chen Qian, Valdas Vitartas, James Kermode, Reinhard J. Maurer
https://arxiv.org/abs/2508.15108 https…

Equivariant Electronic Hamiltonian Prediction with Many-Body Message Passing
Machine learning surrogates of Kohn-Sham Density Functional Theory Hamiltonians offer a powerful tool to accelerate the prediction of electronic properties of materials, such as electronic band structures and densities-of-states. For large-scale applications, an ideal model would exhibit high generalization ability and computational efficiency. Here, we introduce the MACE-H graph neural network, which combines high body-order message passing with a node-order expansion to efficiently obtain all…

Intermediate-temperature specific heat of solids and the rationale behind the Maier-Kelley empirical formula
Valmir Ribeiro, Fernando Parisio
https://arxiv.org/abs/2508.15009 ht…

Intermediate-temperature specific heat of solids and the rationale behind the Maier-Kelley empirical formula
The heat capacity of solids at intermediate-to-high temperatures is of fundamental importance to several fields ranging from geology to material science. It depends on a variety of factors, with anharmonicity and, ultimately, melting playing a pivotal role. In this work we develop a first-principles model from an analytically tractable semi-harmonic oscillator Hamiltonian. The resulting specific heat expression depends not only on the Einstein temperature of the material but also on other physi…

Probing Magnetic Properties of RuO$_{2}$ Heterostructures Through the Ferromagnetic Layer
Frank M. Abel, Subhash Bhatt, Shelby S. Fields, Vinay Sharma, Dai Q. Ho, Daniel Wines, D. Quang To, Joseph C. Prestigiacomo, Tehseen Adel, Riccardo Torsi, Maria F. Munoz, David T. Plouff, Xinhao Wang, Brian Donovan, Don Heiman, Gregory M. Stephen, Adam L. Friedman, Garnett W. Bryant, Anderson Janotti, Michelle E. Jamer, Angela R. Hight Walker, John Q. Xiao, Steven P. Bennett

Probing Magnetic Properties of RuO$_{2}$ Heterostructures Through the Ferromagnetic Layer
RuO$_{2}$ has been proposed as the prototypical altermagnetic material. However, several reports have recently questioned its intrinsic magnetic ordering, leading to conflicting findings, especially in thin film heterostructures pointing to possible interface effects being convoluted with supposed antiferromagnetic/altermagnetic signatures. Here, extensive magnetometry measurements were performed on two independently grown thin film heterostructures of RuO$_{2}$ interfaced with either NiFe or F…

Beyond Superexchange: Emergent Unconventional Ferromagnetism in Thin-Film Sandwich Structures of Intrinsic Magnetic Topological Insulators
Takuya Takashiro, Ryota Akiyama, Ryotaro Minakawa, Shuji Hasegawa
https://arxiv.org/abs/2508.14993

Beyond Superexchange: Emergent Unconventional Ferromagnetism in Thin-Film Sandwich Structures of Intrinsic Magnetic Topological Insulators
In this work, we investigate the nature of magnetic interactions in intrinsic magnetic topological insulator Mn(Bi1-xSbx)2Te4 (MBST in short) systems, which possesses highly-ordered ferromagnetic septuple-layers (SLs), using two types of structures: MBST(1 SL)/(Bi1-xSbx)2Te3 heterostructures and MBST(1 SL)/(Bi1-xSbx)2Te3/MBST(1 SL) sandwich structures. The out-of-plane magnetization in the sandwich structure turned out to be significantly larger than that in the heterostructure, indicating that…

[2025-08-22 Fri (UTC), 24 new articles found for cond-mat.mtrl-sci Materials Science]
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Electronic bounds in magnetic crystals
Daniel Passos, Ivo Souza
https://arxiv.org/abs/2509.16121 https://arxiv.org/pdf/2509.16121

Electronic bounds in magnetic crystals
We present a systematic study of bound relations between different electronic properties of magnetic crystals: electron density, effective mass, orbital magnetization, localization length, Chern invariant, and electric susceptibility. All relations are satisfied for a group of low-lying bands, while some remain valid for upper bands. New results include a lower bound on the electric susceptibility of Chern insulators, and an upper bound on the sum-rule part of the orbital magnetization. In addi…

Phonon polariton Hall effect
Omer Yaniv, Dominik M. Juraschek
https://arxiv.org/abs/2509.16100 https://arxiv.org/pdf/2509.16100

Phonon polariton Hall effect
The phonon Hall effect conventionally describes the generation of a transverse heat current in an applied magnetic field. In this work, we extend the effect to hybrid light-matter excitations and demonstrate theoretically that phonon polaritons, formed by coupling optical phonons with terahertz radiation, support transverse energy flow when coherently driven in an applied magnetic field. Using the example of PbTe, which exhibits strongly coupled phonon polaritons, we show that the magnetic fiel…

Phase Behavior and Ion Transport in Lithium-Niobium-Tantalum Oxide Alloys
Hengning Chen, Zeyu Deng, Gopalakrishnan Sai Gautam, Yan Li, Pieremanuele Canepa
https://arxiv.org/abs/2509.16021

Phase Behavior and Ion Transport in Lithium-Niobium-Tantalum Oxide Alloys
Lithium niobate-tantalate mixtures have garnered considerable interest for their ability to merge the desirable properties of both end members, enabling diverse high-value applications, such as high-performance faradaic capacitors, non-linear optics, and protective coatings in rechargeable batteries. While numerous studies on the application of $\mathrm{LiNb_xTa_{1-x}O_3}$ exist, the phase behavior and properties of $\mathrm{Li_3Nb_xTa_{1-x}O_4}$ remain largely unexplored. In this work, we empl…

An Equivariant Graph Network for Interpretable Nanoporous Materials Design
Zhenhao Zhou, Salman Bin Kashif, Dawei Feng, Jin-Hu Dou, Kaihang Shi, Tao Deng, Zhenpeng Yao
https://arxiv.org/abs/2509.15908 …

An Equivariant Graph Network for Interpretable Nanoporous Materials Design
Nanoporous materials hold promise for diverse sustainable applications, yet their vast chemical space poses challenges for efficient design. Machine learning offers a compelling pathway to accelerate the exploration, but existing models lack either interpretability or fidelity for elucidating the correlation between crystal geometry and property. Here, we report a three-dimensional periodic space sampling method that decomposes large nanoporous structures into local geometrical sites for combin…

Mechanistic Insights into Complete Methane Oxidation on Single-Atom Pd Supported by SSZ-13 Zeolite: A First-Principles Study
Anuroopa Behatha, Shalini Tomar, Hojin Jeong, Joon Hwan Choi, Seung-Cheol Lee, Satadeep Bhattacharjee
https://arxiv.org/abs/2509.15875

Mechanistic Insights into Complete Methane Oxidation on Single-Atom Pd Supported by SSZ-13 Zeolite: A First-Principles Study
Complete catalytic oxidation of methane is an effective strategy for greenhouse gas mitigation and clean energy conversion; yet, ensuring both high catalytic activity and stability with palladium-based catalysts remains a challenge. In the present work, we employed a theoretical investigation of methane oxidation over single-atom Pd supported on SSZ-13 zeolite using density functional theory calculations, combined with climbing-image nudged elastic band calculations to determine activation barr…

Unveiling Excitonic Insulator Signatures in Ta$_\mathrm{2}$NiSe$_\mathrm{5}$
Nour Maraytta, Peter Nagel, Fatemeh Ghorbani, Amir Ghiami, Santanu Pakhira, Mai Ye, Bjoern Wehinger, Federico Abbruciati, Gaston Garbarino, Matthieu Le Tacon, Stefan Schuppler, Amir-Abbas Haghighirad, Michael Merz
https://arxiv.org/abs/2509.15771

Unveiling Excitonic Insulator Signatures in Ta$_\mathrm{2}$NiSe$_\mathrm{5}$
The high-temperature phase of Ta$_\mathrm{2}$NiSe$_\mathrm{5}$, a near-zero-gap semiconductor ($E_G$ = 0), is a promising candidate for an excitonic insulator. Given the dome-like evolution expected for an excitonic insulator around $E_G$, we investigated Ta$_\mathrm{2}$NiSe$_\mathrm{5}$, the more semi-metallic Ta$_\mathrm{2}$(Ni,Co)Se$_\mathrm{5}$, and semiconducting Ta$_\mathrm{2}$NiS$_\mathrm{5}$ using high-resolution single-crystal x-ray diffraction and near-edge x-ray absorption fine struc…

Barrier Electrostatics and Contact Engineering for Ultra-Wide Bandgap AlGaN HFETs
Seungheon Shin, Can Cao, Jon Pratt, Yinxuan Zhu, Brianna A. Klein, Andrew Armstrong, Andrew A. Allerman, Siddharth Rajan
https://arxiv.org/abs/2509.15715

Barrier Electrostatics and Contact Engineering for Ultra-Wide Bandgap AlGaN HFETs
We report ultra-wide bandgap (UWBG) AlGaN heterostructure field-effect transistors (HFETs) exhibiting a high breakdown field (> 5.3 MV/cm) and a low contact resistance (~1.55 Ωmm), tailored for high-power radiofrequency applications. A split-doped barrier architecture, employing two distinct doping concentrations, is shown to enhance both the breakdown field and contact resistance. This design enables a state-of-the-art combination of maximum drain current (487 mA/mm) and breakdown field, alon…

Direct observation of cation-dependent polarisation switching dynamics in fluorite ferroelectrics
Kousuke Ooe, Yufan Shen, Kazuki Shitara, Shunsuke Kobayashi, Yuichi Shimakawa, Daisuke Kan, Joanne Etheridge
https://arxiv.org/abs/2509.15682

Direct observation of cation-dependent polarisation switching dynamics in fluorite ferroelectrics
Fluorite ferroelectrics are exciting candidates for next-generation non-volatile memory devices because their unique ferroelectric mechanism, which arises from unconventional oxygen displacements, permits ferroelectricity with minimal thickness constraints. However, the polarisation switching mechanism remains the subject of intense debate due to a limited understanding of the atomic-scale dynamics which are extremely challenging to detect and measure. Here, we observe directly the polarisation…

Crystal Growth, Band Structure, Magnetism and Electrochemical Properties of Hexavalent Strontium Ruthenium Oxyhydroxide
Subham Naik, Soumili Dutta, Hiranmayee Senapati, Sweta Yadav, Subarna Ray, Jai Prakash, Rahul Sharma, Gohil S. Thakur
https://arxiv.org/abs/2509.15671

Crystal Growth, Band Structure, Magnetism and Electrochemical Properties of Hexavalent Strontium Ruthenium Oxyhydroxide
Ruthenates comprise an interesting class of materials with a wide range of extremely exciting properties, and thus the discovery of new stable ruthenates remains an active area of investigation. We report the crystal growth and comprehensive studies including crystal and electronic structure, magnetic and electrochemical properties of a hexavalent ruthenium oxyhydroxide Sr3Ru2O9H2 prepared through a low-temperature hydrothermal method. Single crystals and powder samples of this phase are isolat…

Intrinsic Berry Curvature Driven Anomalous Hall and Nernst Effect in Co$_2$MnSn
Bishal Das, Arnab Bhattacharya, Amit Chanda, Chanchal K. Barman, Jadupati Nag, Hariharan Srikanth, Aftab Alam, I. Das
https://arxiv.org/abs/2509.15644

Intrinsic Berry Curvature Driven Anomalous Hall and Nernst Effect in Co$_2$MnSn
Magnetic topological semimetals often exhibit unusual electronic and thermal transport due to nontrivial bulk band crossings, enabling simultaneous realization of large anomalous Hall and Nernst conductivities ($σ_{xy}$ and $α_{xy}$). Here, a comprehensive experimental and theoretical study of the anomalous transport properties of ferromagnetic Co$_2$MnSn is reported. First-principles calculations reveal topological Weyl points producing significant Berry curvature, driving dominant intrinsic…

First-principles calculation of higher-order elastic constants from divided differences
Ruvini Attanayake, Umesh C. Roy, Abhiyan Pandit, Angelo Bongiorno
https://arxiv.org/abs/2509.15468

First-principles calculation of higher-order elastic constants from divided differences
A method is presented to calculate from first principles the higher-order elastic constants of a solid material. The method relies on finite strain deformations, a density functional theory approach to calculate the Cauchy stress tensor, and a recursive numerical differentiation technique homologous to the divided differences polynomial interpolation algorithm. The method is applicable as is to any material, regardless its symmetry, to calculate elastic constants of, in principle, any order. He…

Long-lived dynamics of the charge density wave in TiSe$_2$ observed by neutron scattering
K. Dharmasiri (Department of Physics, University of Virginia, Charlottesville, United States), S. S. Philip (Department of Physics, University of Virginia, Charlottesville, United States), D. Louca (Department of Physics, University of Virginia, Charlottesville, United States), S. A. Chen (Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, United States), M. D. Frontzek (Neutro…

Long-lived dynamics of the charge density wave in TiSe$_2$ observed by neutron scattering
Time-resolved elastic neutron scattering combined with rapid laser heating was used to probe the charge density wave (CDW) state in 1T-TiSe$_2$, capturing both the melting and reformation of the CDW on long timescales and providing clues on the roles of phonons and excitons. With the laser source on, superlattice Bragg peaks such as (-1.5, -1.5, 1.5) observed below the CDW transition due to the new lattice periodicity, dissipate within 5 seconds, at a rate that is much slower than the sample's …

[2025-09-22 Mon (UTC), 12 new articles found for cond-mat.mtrl-sci Materials Science]
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Replaced article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Spontaneous damage annealing reactions as a possible source of low energy excess in semiconductor...
Nordlund, Kong, Djurabekova, Heikinheimo, Tuominen, Mirabolfathi, K…

Crosslisted article(s) found for cond-mat.mtrl-sci. https://arxiv.org/list/cond-mat.mtrl-sci/new
[1/1]:
- Evidence for Half-Quantized Chiral Edge Current in a C = 1/2 Parity Anomaly State
Deyi Zhuo, Bomin Zhang, Humian Zhou, Han Tay, Xiaoda Liu, Zhiyuan Xi, Chui-Zhen Che…