arXiv cond-mat.mtrl-sci Materials Science

Jeff Armstrong, Adam Jackson, Alin Elena: High-Pressure Inelastic Neutron Spectroscopy: A true test of Machine-Learned Interatomic Potential energy landscapes https://arxiv.org/abs/2603.05442 https://arxiv.org/pdf/2603.05442 https://arxiv.org/html/2603.05442

Chen, Subramani, Mekan, Gendler, Yang, Kumar, Householder, Ortiz, Hernandez-Pagan, Lilova, Wexler: Equilibrium Thermochemistry and Crystallographic Morphology of Manganese Sulfide Nanocrystals https://arxiv.org/abs/2603.05420 https://arxiv.org/pdf/2603.05420 https://arxiv.org/html/2603.05420

Tom Ward, Isabel Creed, Tim Rein, Jarvist Moore Frost: Correcting hybrid density functionals to model Y6 and other non-fullerene acceptors https://arxiv.org/abs/2603.05379 https://arxiv.org/pdf/2603.05379 https://arxiv.org/html/2603.05379

Lois Smith, Samuel Ericson, Vittoria Fantauzzo, Chin Yong, Paola Carbone, Alessandro Troisi: Automated High-Throughput Screening of Polymers Using a Computational Workflow https://arxiv.org/abs/2603.05362 https://arxiv.org/pdf/2603.05362 https://arxiv.org/html/2603.05362

Issa Saddiq, Yuxin Fan, Robert G. Palgrave, Mark A. Isaacs, David Morgan, Keith T. Butler: A Shift-Invariant Deep Learning Framework for Automated Analysis of XPS Spectra https://arxiv.org/abs/2603.05350 https://arxiv.org/pdf/2603.05350 https://arxiv.org/html/2603.05350

Silvera-Vega, Cardenas-Chirivi, Galvis, Garc\'ia-Castro, Giraldo-Gallo: Lattice dynamics of the charge density wave compounds TaTe$_4$ and NbTe$_4$ and their evolution across solid solutions https://arxiv.org/abs/2603.05257 https://arxiv.org/pdf/2603.05257 https://arxiv.org/html/2603.05257

Holobr\'adek, Voj\'a\v{c}ek, Wojewoda, Schmid, Urb\'anek: Precise control of crystallography and magnetism in focused-ion-beam transformed iron-nickel thin films https://arxiv.org/abs/2603.05242 https://arxiv.org/pdf/2603.05242 https://arxiv.org/html/2603.05242

Xinwei Wang, Irea Mosquera-Lois, Aron Walsh: Multi-fidelity Machine Learning Interatomic Potentials for Charged Point Defects https://arxiv.org/abs/2603.05238 https://arxiv.org/pdf/2603.05238 https://arxiv.org/html/2603.05238

Chapuis, Bouaziz, Desgue, Gerber, Bertarn, Legagneux, Oehler, Chaste, Ouerghi: Epitaxial Growth and Electronic Properties of QuasiFreeStanding Rhombohedral WSe2 Bilayers on Cubic W110 https://arxiv.org/abs/2603.05199 https://arxiv.org/pdf/2603.05199 https://arxiv.org/html/2603.05199

Yuchen Xie, Jianyuan Yin, Lei Zhang: A Geometry-Adaptive Deep Variational Framework for Phase Discovery in the Landau-Brazovskii Model https://arxiv.org/abs/2603.05161 https://arxiv.org/pdf/2603.05161 https://arxiv.org/html/2603.05161

Nagaoka, Yamazaki, Mitsumata, Iwasaki, Kotsugi: Inverse-design of two-dimensional magnonic crystals via topology optimization with frequency-domain micromagnetics https://arxiv.org/abs/2603.05132 https://arxiv.org/pdf/2603.05132 https://arxiv.org/html/2603.05132

Diego L\'opez-Alcal\'a, Andrei Shumilin, Jos\'e J. Baldov\'i: Altermagnetic Metal-Organic Frameworks https://arxiv.org/abs/2603.05112 https://arxiv.org/pdf/2603.05112 https://arxiv.org/html/2603.05112

Yalan Wei, Hairui Ding, Shifang Li, Yuke Song, Chi Ren, Xiao Dong, Chaoyu He: Domain-Direct Band Gaps: Classification and Material Realization https://arxiv.org/abs/2603.05103 https://arxiv.org/pdf/2603.05103 https://arxiv.org/html/2603.05103

Mohammad A. Akhound, et al.: Large-scale Integration of Experimental and Computational Data for 2D Materials https://arxiv.org/abs/2603.05083 https://arxiv.org/pdf/2603.05083 https://arxiv.org/html/2603.05083

Xuejun Gong, Andrea Dal Corso: Ab initio quasi-harmonic thermoelasticity, piezoelectricity, and thermoelectricity of polar solids at finite temperature and pressure: Application to wurtzite ZnO https://arxiv.org/abs/2603.05056 https://arxiv.org/pdf/2603.05056 https://arxiv.org/html/2603.05056

Simon K\"ummel, Johannes Roth: Energy conservation and pressure relaxation in an extended two-temperature model for copper with an electron temperature-dependent interaction potential https://arxiv.org/abs/2603.04907 https://arxiv.org/pdf/2603.04907 https://arxiv.org/html/2603.04907

Riley Moeykens, Anthony Albert-Harrup, David Simonne, Mehmet Topsakal, Ericmoore Jossou: Design rules for industrial-scale sintering of UB4-UBC composites with high uranium density https://arxiv.org/abs/2603.04824 https://arxiv.org/pdf/2603.04824 https://arxiv.org/html/2603.04824

Jason Sun, Yu Chen, Joseph J. Marziale, Eric A. Walker, David Salac, James Chen: Damage Prediction of Sintered {\alpha}-SiC Using Thermo-mechanical Coupled Fracture Model https://arxiv.org/abs/2603.04753 https://arxiv.org/pdf/2603.04753 https://arxiv.org/html/2603.04753

Saransh Singh, et al.: High pressure melt dynamics in shock-compressed titanium https://arxiv.org/abs/2603.04680 https://arxiv.org/pdf/2603.04680 https://arxiv.org/html/2603.04680

Zhonglin He, Kaiying Dou, Wenhui Du, Ying Dai, Evgeny Y. Tsymbal, Yandong Ma: Moire Topological Magnetism Twist-Engineered from 2D Spin Spirals https://arxiv.org/abs/2603.04620 https://arxiv.org/pdf/2603.04620 https://arxiv.org/html/2603.04620

Dennis Boakye, Chuang Deng: Rapid modeling of segregation-driven metal-oxide adhesion in high-entropy alloys using macroscopic atom model https://arxiv.org/abs/2603.04575 https://arxiv.org/pdf/2603.04575 https://arxiv.org/html/2603.04575

Davis, Liebman, Rout, Alvarado, Wilson, Drichko: Raman scattering spectroscopic observation of a ferroelastic crossover in bond-frustrated PrCd$_3$P$_3$ https://arxiv.org/abs/2603.04539 https://arxiv.org/pdf/2603.04539 https://arxiv.org/html/2603.04539

[2026-03-06 Fri (UTC), 22 new articles found for cond-matmtrl-sci Materials Science]

Sousa, Esteves, Robalo, Rodrigues, Lorenz, Peres: Study on the Effect of Annealing on Ga$_2$O$_3$ Thin Films Deposited on Silicon by RF Sputtering https://arxiv.org/abs/2603.04327 https://arxiv.org/pdf/2603.04327 https://arxiv.org/html/2603.04327

Marziale, Sun, Walker, Chen, Salac, Chen: The effect of chemical vapor infiltration process parameters on flexural strength of porous {\alpha}-SiC: A numerical model https://arxiv.org/abs/2603.04287 https://arxiv.org/pdf/2603.04287 https://arxiv.org/html/2603.04287

Sakthi Kasthurirengan, Hartwin Peelaers: Electronic and structural properties of V$_2$O$_5$ layered polymorphs https://arxiv.org/abs/2603.04193 https://arxiv.org/pdf/2603.04193 https://arxiv.org/html/2603.04193

Lewis J. Adams, Sara Baserga, Laurent Souqui, Enji Sadek, Linus von Fieandt, Per Eklund: Chemical Vapor Deposition of Epitaxial Chromium Nitride Thin Films https://arxiv.org/abs/2603.04154 https://arxiv.org/pdf/2603.04154 https://arxiv.org/html/2603.04154

Jesper Byggm\"astar: Machine-learned Interatomic Potential for Ti$_{n+1}$C$_n$ MXenes: Application to Ion Irradiation Simulations https://arxiv.org/abs/2603.04152 https://arxiv.org/pdf/2603.04152 https://arxiv.org/html/2603.04152

Jesper Byggm\"astar, Tiago Lopes, Zheyong Fan, Tapio Ala-Nissila: Nine-element machine-learned interatomic potentials for multiphase refractory alloys https://arxiv.org/abs/2603.04147 https://arxiv.org/pdf/2603.04147 https://arxiv.org/html/2603.04147

David Eilmsteiner, Arthur Ernst, Pawe{\l} A. Buczek: Dispersion and lifetimes of magnons in non-collinear magnets from time dependent density functional theory https://arxiv.org/abs/2603.04111 https://arxiv.org/pdf/2603.04111 https://arxiv.org/html/2603.04111