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41 results found

no	title	author	magazine	year	volume	issue	page(s)	type
1	Ab initio study of the magnetic behavior of metal hydrides: A comparison with the Slater-Pauling curve	León, Andrea		2018	141	C	p. 122-126	article
2	A comparison of pure and mixed-gas permeation of nitrogen and methane in 6FDA-based polyimides as studied by molecular dynamics simulations	Tanis, Ioannis		2018	141	C	p. 243-253	article
3	A hierarchical thermo-mechanical multi-scale technique for modeling of edge dislocations in nano-crystalline structures	Jahanshahi, M.		2018	141	C	p. 360-374	article
4	A hybrid optimization algorithm to explore atomic configurations of TiO2 nanoparticles	Inclan, Eric		2018	141	C	p. 1-9	article
5	A model to predict the effective permittivity of heterogeneous multiphase structures with new bounds	Jarmoumi, Younes		2018	141	C	p. 260-268	article
6	An automated procedure for geometry creation and finite element mesh generation: Application to explicit grain structure models and machining distortion	Barrett, Timothy J.		2018	141	C	p. 269-281	article
7	A systematic study via ab-initio MD of the effect solvation by room temperature ionic liquid has on the structure of a chromophore-titania interface	Byrne, Aaron		2018	141	C	p. 193-206	article
8	Atomistic simulations of plasticity in heterogeneous nanocrystalline Ni lamella	Huang, Sixie		2018	141	C	p. 229-234	article
9	Computational study of Mn-doped GaN polar and non-polar surfaces	Martinez-Castro, O.		2018	141	C	p. 68-74	article
10	Concentric GaAs nanorings formation by droplet epitaxy — Monte Carlo simulation	Shwartz, Nataliya L.		2018	141	C	p. 91-100	article
11	Data assimilation for phase-field models based on the ensemble Kalman filter	Sasaki, Kengo		2018	141	C	p. 141-152	article
12	Dislocation-precipitate interaction map	Keyhani, Amirreza		2018	141	C	p. 153-161	article
13	Effect of strain engineering on 2D dichalcogenides transition metal: A DFT study	Kansara, Shivam		2018	141	C	p. 235-242	article
14	Effects of cooling rate on the atomic structure of Cu64Zr36 binary metallic glass	Li, Feng		2018	141	C	p. 59-67	article
15	Elastic properties and thermal expansion of lead-free halide double perovskite Cs2AgBiBr6	Dong, Liyuan		2018	141	C	p. 49-58	article
16	Empirical-potential global minima and DFT local minima of trimetallic Ag l Au m Pt n (l + m + n =13, 19, 33, 38) clusters	Pacheco-Contreras, Rafael		2018	141	C	p. 30-40	article
17	Evaluation of point-core approximation effect on the positron energy levels in diamond structure solids	Zhang, Jie		2018	141	C	p. 75-81	article
18	Evolution of tension twinning in single crystal Ti under compressive uniaxial strain conditions	Rawat, Sunil		2018	141	C	p. 302-312	article
19	First-principles optical spectra for the oxygen vacancy in YAlO3 crystal	Fu, Mingxue		2018	141	C	p. 127-132	article
20	First-principles study of adsorption mechanism of NH3 on different ZnO surfaces on organics photocatalytic degradation purpose	Sun, Bei		2018	141	C	p. 133-140	article
21	Formation of iron hydride in α-Fe under dislocation strain field and its effect on dislocation interaction	Cui, Yanguang		2018	141	C	p. 254-259	article
22	IFC			2018	141	C	p. IFC	article
23	Interface structures of ZnO/MoO3 and their effect on workfunction of ZnO surfaces from first principles calculations	Sun, Wei		2018	141	C	p. 162-169	article
24	Investigating the stability of the phase field solution of equilibrium droplet configurations by eigenvalues and eigenvectors	Diewald, Felix		2018	141	C	p. 185-192	article
25	Investigation and comparison of the large-signal characteristics and dynamical parameters of silicene and germanene nanoribbon interconnects	Yamacli, Serhan		2018	141	C	p. 353-359	article
26	Kinetic and thermodynamic properties of liquid zinc: An ab initio molecular dynamics study	Qiao, Jing		2018	141	C	p. 180-184	article
27	Magnetic and electronic transport properties of some tunnel junctions with AgBr symmetry-filter barriers	Vlaic, P.		2018	141	C	p. 313-324	article
28	Molecular dynamics investigation of c-axis deformation of single crystal Ti under uniaxial stress conditions: Evolution of compression twinning and dislocations	Rawat, Sunil		2018	141	C	p. 19-29	article
29	Molecular dynamics simulations of the characteristics of Mo/Ti interfaces	Luo, Mengzi		2018	141	C	p. 293-301	article
30	Multi-scale genome modeling for predicting fracture strength of silicon carbide ceramics	Dong, Xiangyang		2018	141	C	p. 10-18	article
31	Nanocrystalline gradient engineering: Grain evolution and grain boundary networks	Chen, Zhanyang		2018	141	C	p. 282-292	article
32	Orientation dependent plasticity of metallic amorphous-crystalline interface	Alishahi, Ehsan		2018	141	C	p. 375-387	article
33	Segregation and mechanical properties of Si, Fe and Ti on the Al/Al2.5X0.5Zr (X=Cu, Zn, Ag) coherent interfaces: First-principles calculations	Sun, Ting		2018	141	C	p. 325-340	article
34	Simulation of bcc-Cu precipitation in ternary Fe-Cu-M alloys	Guo, H.		2018	141	C	p. 101-113	article
35	Solvents induce phase separation for fabrication of Janus hybrid nanoparticles: A dissipative particle dynamics simulation	Du, Yixuan		2018	141	C	p. 221-228	article
36	Stochastic model and simulation of growth and coalescence of spontaneously formed GaN nanowires in molecular beam epitaxy	Sabelfeld, K.K.		2018	141	C	p. 341-352	article
37	Surface damage of CuZr metallic glass by hypervelocity nano-projectile: A molecular dynamics study	Dutta, Amlan		2018	141	C	p. 41-48	article
38	Tailoring fracture strength of graphene	Dewapriya, M.A.N.		2018	141	C	p. 114-121	article
39	The effect of metal transition dopant on electronic and mechanical properties of titanium nitride: First principle method	Farhadizadeh, Ali Reza		2018	141	C	p. 82-90	article
40	The thermal conductivity decomposition of calcite calculated by molecular dynamics simulation	Momenzadeh, Leila		2018	141	C	p. 170-179	article
41	Three-dimensional modeling of the microstructure evolution during metal additive manufacturing	Zinovieva, O.		2018	141	C	p. 207-220	article

41 results found

Koninklijke Bibliotheek - National Library of the Netherlands