Detection of collective optic excitations in molten NaI

by S. Hosokawa, M. Inui, T. Bryk, I. Mryglod, W.-C. Pilgrim, Y. Kajihara, K. Matsuda, Y. Ohmasa, S. Tsutsui
Published 2019-12-01

A Review of Recent Developments in Molecular Dynamics Simulations of the Photoelectrochemical Water Splitting Process

by Nicolae Goga, Leonhard Mayrhofer, Ionut Tranca, Silvia Nedea, Koen Heijmans, Veerapandian Ponnuchamy, Andrei Vasilateanu
Published 2021-06-01

Design of a dual-phase hcp-bcc high entropy alloy strengthened by ω nanoprecipitates in the Sc-Ti-Zr-Hf-Re system

by Lukasz Rogal, Yuji Ikeda, Minjie Lai, Fritz Körmann, Alicja Kalinowska, Blazej Grabowski
Published 2020-07-01

Microscopic dynamics in liquid binary alloys: orbital-free ab-initio molecular dynamics studies

by D.J.González, L.E.González
Published 2008-03-01

Toughening mechanisms in V-Si-N coatings

by F.F. Ge, H.S. Sen, N. Daghbouj, M. Callisti, Y.J. Feng, B.S. Li, P. Zhu, P. Li, F.P. Meng, T. Polcar, F. Huang
Published 2021-11-01

Towards to Extraction of Nanodispersed Noble Metals From Natural Black Graphite Shales

by Elena A. Mikhailenko, Alexander I. Khanchuk, Victor G. Zavodinsky
Published 2012-01-01

Electronic properties of quasi two-dimensional transition metals chalcogenides with low-dimensional magnetism

by M. S. Baranava, P. A. Praskurava
Published 2020-11-01

First-principles Investigation of Small Polarons in Metal Oxides

by Kokott, Sebastian
Published 2018

Ab initio calculation of band alignment of epitaxial La₂O₃ on Si(111) substrate

by Alberto Debernardi
Published 2015-08-01

Electronic and magnetic properties of ABO₃ perovskites (A - Ca, Ce, Y, Na; B - Ti, Nb, Fe, Mn, Ta; O)

by P. A. Praskurava, D. S. Hvazdousky, M. S. Baranava, V. R. Stempitsky
Published 2020-05-01

First-Principles Calculation of Physical Tensors of α-Diisopropylammonium Bromide (α-DIPAB) Molecular Ferroelectric Crystal

by Ahmad Alsaad, Nabil Al-Aqtash, Renat F. Sabirianov, Ahmad Ahmad, Qais M. Al-Bataineh, Issam Qattan, Zaid Albataineh
Published 2019-11-01

Ab initio simulations of topological phase transitions in Dirac semimetal Cd3As2 doped with Zn and Mn impurities

by Rancati, Andrea
Published 2019

Etude des cellules mémoires résistives RRAM à base de HfO2 par caractérisation électrique et simulations atomistiques

by Traoré, Boubacar
Published 2015

Structural, electronic and magnetic properties of MxPt1-X, (M= Co, Ni and V) binary alloys

by A.M. Alsaad, A.A. Ahmad, Hamzah A. Qattous
Published 2019-09-01

Simulation ab initio des défauts étendus du Ti & en présence d'interstitiels H et O

by Liang, Liang
Published 2016