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                             36 results found
no title author magazine year volume issue page(s) type
1 Adhesion strength and stability of TiB2/TiC interface in composite coatings by first principles calculation Xiong, Hui-hui
 2017
 127 C p. 244-250
 article
2 Adsorption of As(III) and As(V) compounds on Fe3O4(001) surfaces: A first principle study Baltazar, Samuel E.
 2017
 127 C p. 110-120
 article
3 A phase field model to simulate competitive precipitation of Mg2Sn along the basal or pyramidal habit planes in Mg-2.2Sn-0.1Zn alloy Zhang, Xiangang
 2017
 127 C p. 261-269
 article
4 Atomistic simulation of hydrogen-assisted ductile-to-brittle transition in α-iron Xing, Xiao
 2017
 127 C p. 211-221
 article
5 Beat vibration of hybrid boron nitride-carbon nanotubes – A new avenue to atomic-scale mass sensing Zhang, Jin
 2017
 127 C p. 270-276
 article
6 Corrigendum to “Ground state stability of δPu by way of introducing exact exchange within a DFT potential for correlated electrons” [Comput. Mater. Sci. 126 (2017) 12–21] Ríos-Ramírez, J.J.
 2017
 127 C p. 301
 article
7 CT-MEAM interatomic potential of the Li-Ni-O ternary system for Li-ion battery cathode materials Kong, Fantai
 2017
 127 C p. 128-135
 article
8 Deformation mechanisms in nanoporous metals: Effect of ligament shape and disorder Jiao, J.
 2017
 127 C p. 194-203
 article
9 Effect of hydrogenation and curvature of rotor on the rotation transmission of a curved nanobearing Gao, Zhaoliang
 2017
 127 C p. 295-300
 article
10 Effect of shock on transition metal carbides and nitrides {MC/N (M=Zr, Nb, Ta, Ti)} Bhattacharya, Chandrani
 2017
 127 C p. 85-95
 article
11 Effect of strong nonuniformity in grain boundary energy on 3-D grain growth behavior: A phase-field simulation study Chang, Kunok
 2017
 127 C p. 67-77
 article
12 Effect of surface chemistry on morphology evolution of LaPO4: Experiment and density functional theory calculations Zhang, Luo
 2017
 127 C p. 22-28
 article
13 First-principles investigation of half-metallicity of Mn2Co1−xCrxAl Feng, X.
 2017
 127 C p. 15-21
 article
14 First-principles study of codoping TiO2 systems capable of improving the specific surface area and the dissociation of H2O to generate H2 and O2 Morgade, Cecilia I.N.
 2017
 127 C p. 204-210
 article
15 First-principles study of l-cysteine adsorption on vacancy graphene and Ag-doped graphene Luo, Huijuan
 2017
 127 C p. 222-229
 article
16 IFC 2017
 127 C p. IFC
 article
17 Incorporation of vacancy generation/annihilation into reactive diffusion concept – Prediction of possible Kirkendall porosity Svoboda, J.
 2017
 127 C p. 136-140
 article
18 Influence of alloying elements on stability and electronic structures of Cu6Sn5(010) surface by first principles calculations Dai, J.H.
 2017
 127 C p. 230-235
 article
19 Influence of oxygen vacancy on electric structure and optical properties of pure and N-doped Sr2M2O7(M=Nb, Ta) Song, Yu-Min
 2017
 127 C p. 180-186
 article
20 Influence of phonon and electron excitations on the free energy of defect clusters in solids: A first-principles study Posselt, M.
 2017
 127 C p. 284-294
 article
21 Influence of the elements (Pn = As, Sb, Bi) on the transport properties of p-type Zintl compounds Ba2ZnPn2 Zhang, Xiwen
 2017
 127 C p. 8-14
 article
22 Investigation of the property hull for solid oxide fuel cell microstructures Riazat, M.
 2017
 127 C p. 1-7
 article
23 Mechanical properties of zirconium-based random alloys: Alloying elements and composition dependencies Huang, Sunchao
 2017
 127 C p. 60-66
 article
24 Non-equilibrium MD modeling and simulation to extract mechanical properties of copper nanoparticles under ultra-high strain rate loading Bandyopadhyay, Krishnan
 2017
 127 C p. 277-283
 article
25 Photoanode nanostructure design and electron transport prediction Liu, Chun-Ting
 2017
 127 C p. 103-109
 article
26 Piezoelectric performance optimization of the PMN-PT based on self-adaptive differential evolution algorithm Liu, Tundong
 2017
 127 C p. 96-102
 article
27 Polymorphic germanium films forming in slit nanopore He, Yezeng
 2017
 127 C p. 187-193
 article
28 Quantitative phase-field crystal modeling of solid-liquid interfaces for FCC metals Asadi, Ebrahim
 2017
 127 C p. 236-243
 article
29 Reaction characteristics and iron aluminides products analysis of planar interfacial Al/α-Fe2O3 nanolaminate Lin, Li-Zhu
 2017
 127 C p. 29-41
 article
30 Reliable Molecular Dynamics: Uncertainty quantification using interval analysis in molecular dynamics simulation Tran, Anh V.
 2017
 127 C p. 141-160
 article
31 Size effects of shear deformation response for nano-single crystals examined by the phase-field-crystal model Zhou, Wenquan
 2017
 127 C p. 121-127
 article
32 Smoothed Particle Hydrodynamics (SPH) modelling of transient heat transfer in pulsed laser ablation of Al and associated free-surface problems Alshaer, A.W.
 2017
 127 C p. 161-179
 article
33 Structural evolution of (Ti0.5V0.5) n +1GeC n (n =1–4) under pressure from first principles Yang, Ze-Jin
 2017
 127 C p. 251-260
 article
34 Theoretical study of Sn adsorbed on the Au(111) surface Meier, Lorena A.
 2017
 127 C p. 48-59
 article
35 The role of out of plane orbitals in the electronic properties of undoped CaxSr1 − xCuO2 Ghafari, A.
 2017
 127 C p. 78-84
 article
36 Vibrational spectrum and entropy in simulation of melting Minakov, D.V.
 2017
 127 C p. 42-47
 article
                             36 results found
 
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