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Showing 2019 · cond-mat.mtrl-sciShow all
3 papers · 2 filters
cond-mat.mtrl-sci2019★ 13 cited
Dielectric embedding GW for weakly coupled molecule-metal interfaces
Zhenfei Liu
Molecule-metal interfaces have a broad range of applications in nanoscale materials science. Accurate characterization of their electronic structures from first-principles is key i…
cond-mat.mtrl-sci2019★ 60 cited
Mechanical and Vibrational Characteristics of Functionally Graded Cu-Ni Nanowire: A Molecular Dynamics Study
Mahmudul Islam, Md Shajedul Hoque Thakur, Satyajit Mojumder +2
Functionally graded material (FGM) is a class of advanced materials, consisting of two (or more) different constituents, that possesses a continuously varying composition profile.…
cond-mat.mtrl-sci2019★ 48 cited
A coarse-grained phase-field crystal model of plastic motion
Marco Salvalaglio, Luiza Angheluta, Zhi-Feng Huang +3
The phase-field crystal model in its amplitude equation approximation is shown to provide an accurate description of the deformation field in defected crystalline structures, as we…