Showing 1–20 of 41 results
/ Date/ Name
Jul 28, 2022Mechanical Characterization of Superelastic NiTi Nanofoams by Molecular Dynamics SimulationsFeb 4, 2023Tailoring magnetic hysteresis of Fe-Ni permalloy by additive manufacturing: Multiphysics-multiscale simulations of process-property relationshipsMar 20, 2020Experimental and theoretical study of tracer diffusion in a series of (CoCrFeMn)$_{100-x}$Ni$_x$ alloysAug 27, 2021Intense sulphurization process can lead to superior heterojunction properties in Cu(In,Ga)(S,Se)$_2$ thin-film solar cellsJul 17, 2015Positive and negative electrocaloric effect in BaTiO$_3$ in the presence of defect dipolesAug 17, 2016State transition and electrocaloric effect of BaZr$_{x}$Ti$_{1-x}$O$_3$: simulation and experimentDec 9, 2014Deformation Induced Complexion Transitions in Nanocrystalline AlloysAug 11, 2016Determination of optimal reversed field with maximal electrocaloric cooling by a direct entropy analysisApr 10, 2017Local segregation versus irradiation effects in high-entropy alloys: Steady-state conditions in a driven systemJun 25, 2024Understanding phase transitions of $α$-quartz under dynamic compression conditions by machine-learning driven atomistic simulationsMar 8, 2024From electrons to phase diagrams with classical and machine learning potentials: automated workflows for materials science with pyironJul 22, 2020The origin of jerky dislocation motion in high-entropy alloysMay 11, 2012Antisite traps and metastable defects in Cu(In,Ga)Se2 thin-film solar cells studied by screened-exchange hybrid density functional theoryJan 18, 2012Modeling the electrical conductivity in BaTiO3 on the basis of first-principles calculationsMay 22, 2015Anomalous compliance and early yielding of nanoporous goldMay 4, 2015Influence of Crystalline Nanoprecipitates on Shear-Band Propagation in Cu-Zr Based Metallic GlassesAug 11, 2017Relaxation of dynamically disordered tetragonal platelets in the relaxor ferroelectric $0.964\mathrm{Na}_{1/2}\mathrm{Bi}_{1/2}\mathrm{TiO}_3-0.036\mathrm{BaTiO}_3$Jul 24, 2024A defect-chemistry-informed phase-field model of grain growth in oxide ceramics: application to Fe-doped SrTiO3Oct 21, 2025Defect thermodynamics of orthorhombic Ba$_2$In$_2$O$_5$: First-principles calculations on the role of oxygen dumbbell interstitialsMay 5, 2025Machine-learning interatomic potentials from a users perspective: A comparison of accuracy, speed and data efficiency