Stress calculation in linear scaling DFT: convergence and dynamics
Shereif Y. Mujahed, Tsuyoshi Miyazaki, David R. Bowler
Materials Science papers — page 69
cond-mat.mtrl-sciBrowse archive
A Multi-Scale Machine Learning Framework for Coupled Chemical, Spin, and Structural Disorder in Alloys
Zhenyao Fang, Qimin YanGrowth of (111)-textured SrTiO3 thin films on Pt(111)/Al2O3(1-102) substrates by rf magnetron sputter deposition
Ekaterina Taylor, Ethan R. Cronk, Kalani Perera et al.Optimizing high-temperature electron mobility in single-crystal Bi2O2Se based on its unconventional dependence on concentration
Antonín Sojka, Petr Knotek, Jan Zich et al.Machine Learning Materials Properties by Encoding Orbital-Projected Density of States
Paulo Pires, Pierre-Paul De Breuck, Mauro Fava et al.Electrical manipulation and detection of perpendicular altermagnetic order via proximitized Dirac semimetal
Zhaohui Li, Wenqing He, Hua Bai et al.A Topotactic Phase Transition in the Uranium Oxide System
Jacek Wasik, Renaud Podor, Jarrod Lewis et al.Bayesian Optimization of Genetic Algorithm Hyperparameters in a Multi-Fidelity Framework for Efficient Lattice Material Design
Sergei Zorkaltsev, Maciej Haranczyk, Christina SchenkImproving feature resolution and pore back effect in focused ion beam tomography of porous GaN thin films
Ben Thornley, Thom R. Harris-Lee, Menno J. Kappers et al.Terahertz Phase Inversion via Field-Free Spin-Orbit Torque Switching in an Antenna-Integrated Spintronic Heterostructure
Amir Khan, Tiago de Oliveira Schneider, Suraj Joshi et al.Interplay of Umklapp scattering and Sb-Au hybridization in surface-reconstructed Sb/Au(111)
Zhe Zheng, Celine Wassenberg, Stefanie Hilgers et al.Unveiling Nanoscale Surface Damage Dynamics in Swift Heavy Ion Irradiated Gallium Nitride
Jiayu Liang, Shaowei He, Wenlong Liao et al.Ethaline deep eutectic solvent under nanoconfinement: Unveiling structural and dynamical changes
Kamar Mohammad Nadim, Mozhdehei Armin, Lefort Ronan et al.Phonon scattering mechanisms in WTe2 observed by ultrafast coherent phonon spectroscopy
Mizuki Akei, Yu Mizukoshi, Muneaki HaseA modified Moss rule highlights underexplored classes of high refractive index materials
Eugène Bertin, Finja Tadge, Andrea CrovettoMinimizing propagated density errors of atomic core-electron for simultaneously accurate bandgaps and lattice constants in closed-shell Copper semiconductors
Kuiyu Ye, Haitao Liu, Yuanchang Li et al.Size focusing in core-shell precipitates: A phase-field study
Soumya Mishra, T. A. AbinandananSurface Reconstruction-Driven Insulating Behavior in Metallic Charge-Density-Wave 1T-TaSe2
Sung-Hoon Lee, Doohee ChoNegative and Zero Linear Compressibility in MCN (M = Ag, Au, Cu): A First-Principles Study
Arlies Valdespino, Abduljelili Popoola, Sergey Lisenkov et al.Thermoelectric and Magnetic Properties in Doped Fe2VAl within a Bipolar Random Anderson Model
Takami Tohyama, Hidetoshi FukuyamaData-driven multi-objective optimization for alloy recycling using factorization machines and quantum annealing
Thomas Plehn, Katrin Bugelnig, Silvana Tumminello et al.A depth resolved investigation of hydrogen uptake in carbon based nanostructures by soft-to-hard photoemission spectroscopy
Orlando Castellano, Alice Apponi, Luca Cecchini et al.Orientation Mapping via Dictionary Indexing of AC-STEM Kikuchi patterns using Open-source Software
Shamail Ahmed, Johannes Haust, Felix Gruber et al.Singing Materials: Initial experiments in applying sonification to phonon spectra
Lucy Whalley, Rose Shepherd, Jorge Boehringer et al.Unravelling the mechanisms underlying crack initiation in additively manufactured steel
KenHee Ryou, Yaozhong Zhang, James A. D. Ball et al.