Computational Materials Science

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Effect of exchange–correlation on first-principles-driven lattice thermal conductivity predictions of crystalline silicon
Computational Materials Science - Tập 110 - Trang 115-120 - 2015
Ankit Jain, Alan J.H. McGaughey
Combined probability distributions of random-walks: A new method to simulate diffusion processes
Computational Materials Science - Tập 34 - Trang 254-263 - 2005
Henrik Larsson, John Ågren
Electronic structure and phase stability of Pt3M (M = Co, Ni, and Cu) bimetallic nanoparticles
Computational Materials Science - Tập 184 - Trang 109874 - 2020
David S. Rivera Rocabado, Yusuke Nanba, Michihisa Koyama
Finite element simulation of low-density thermally bonded nonwoven materials: Effects of orientation distribution function and arrangement of bond points
Computational Materials Science - Tập 50 - Trang 1292-1298 - 2011
Xiaonan Hou, Memiş Acar, Vadim V. Silberschmidt
Simulation of pseudoelastic behaviour of SMA under cyclic loading
Computational Materials Science - Tập 28 - Trang 663-674 - 2003
S. Sun, R.K.N.D. Rajapakse
Determination of the structure of lithium niobosilicate glasses by molecular dynamics simulation with a new Nb-O potential
Computational Materials Science - Tập 207 - Trang 111307 - 2022
Wei Sun, Keith Veenhuizen, Jacob Marsh, Volkmar Dierolf, Himanshu Jain
First-principles XANES simulation for oxygen-related defects in Si-O amorphous materials
Computational Materials Science - Tập 196 - Trang 110555 - 2021
Wataru Katayama, Tomoyuki Tamura, Yuya Nishino, Takakazu Hirose
A quantum chemical study of doped CaCO3 (calcite)
Computational Materials Science - Tập 38 - Trang 522-525 - 2007
M. Menadakis, G. Maroulis, P.G. Koutsoukos
Physical–mathematical model of Lorentz factor for the integrated intensity of single crystal diffraction
Computational Materials Science - Tập 94 - Trang 234-239 - 2014
Florina Violeta Anghelina, Ileana Nicoleta Popescu, Vasile Bratu, Constantin C. Anghelina, Carmen Otilia Rusanescu
Comparison of mechanical behaviour of thin film simulated by discrete dislocation dynamics and continuum crystal plasticity
Computational Materials Science - Tập 45 - Trang 793-799 - 2009
Filip Šiška, Daniel Weygand, Samuel Forest, Peter Gumbsch
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