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38 results found

no	title	author	magazine	year	volume	issue	page(s)	type
1	Active learning of linearly parametrized interatomic potentials	Podryabinkin, Evgeny V.		2017	140	C	p. 171-180	article
2	A curved pathway for oxygen interstitial diffusion in aluminum	Ross, A.J.		2017	140	C	p. 47-54	article
3	A fast immersed interface method for the Cahn–Hilliard equation with arbitrary boundary conditions in complex domains	Hofmann, Tobias		2017	140	C	p. 22-31	article
4	Analysis of the dependence of spinodal decomposition in nanoparticles on boundary reaction rate and free energy of mixing	Pogorelov, Evgeny		2017	140	C	p. 105-112	article
5	Analytical and numerical modeling on resonant response of particles in polymer matrix under blast wave	Wang, Chengyu		2017	140	C	p. 70-81	article
6	A nonlocal adaptive discrete empirical interpolation method combined with modified hp-refinement for order reduction of molecular dynamics systems	Ojo, S.O.		2017	140	C	p. 189-208	article
7	A novel model to account for the heterogeneous nucleation mechanism of α-Mg refined with Al4C3 in Mg-Al alloy	Zhang, Aimin		2017	140	C	p. 61-69	article
8	Comparison of different interatomic potentials for MD simulations of AlN	Xiang, Henggao		2017	140	C	p. 113-120	article
9	CO2/N2 separation via multilayer nanoslit graphene oxide membranes: Molecular dynamics simulation study	Wang, Pan		2017	140	C	p. 284-289	article
10	Creation of models and parametrization of a classical force field for amorphous Al2O3/water interfaces based on Density Functional Theory	Lid, Steffen		2017	140	C	p. 307-314	article
11	Effect of disorder on the optical response of NiPt and Ni3Pt alloys	Sadhukhan, Banasree		2017	140	C	p. 1-9	article
12	Effect of high pressure on the formation and evolution of clusters during the rapid solidification of zirconium melts	Wen, Dadong		2017	140	C	p. 275-283	article
13	Effects of boron and carbon on the ideal strength of Ni solution and Ni3Al intermetallics: A first-principles study of tensile deformation	Huang, Meng-Li		2017	140	C	p. 140-147	article
14	Elastic knowledge base of bcc Ti alloys from first-principles calculations and CALPHAD-based modeling	Marker, Cassie		2017	140	C	p. 121-139	article
15	Ferroelectric creep associated with domain switching emission in the cracked ferroelectrics	Pan, Suxin		2017	140	C	p. 244-252	article
16	First-principles calculations on the stacking fault energy, surface energy and dislocation properties of NbCr2 and HfCr2	Liu, Lili		2017	140	C	p. 334-343	article
17	First principles study of the electrochemical properties of Mg-substituted Li2MnSiO4	Arsentev, Maxim		2017	140	C	p. 181-188	article
18	Generation and interaction mechanisms of prismatic dislocation loops in FCC metals	Erel, Can		2017	140	C	p. 32-46	article
19	High-temperature behaviors of grain boundary in titanium alloy: Modeling and application to microcrack prediction	Li, Hongwei		2017	140	C	p. 159-170	article
20	IFC			2017	140	C	p. IFC	article
21	Influence of structural Al and Si vacancies on the interaction of kaolinite basal surfaces with alkali cations: A molecular dynamics study	Naderi Khorshidi, Zeinab		2017	140	C	p. 267-274	article
22	Insights into the physics of interaction between borophene and O2-first-principles investigation	Luo, W.W.		2017	140	C	p. 261-266	article
23	Mechanical properties and failure behavior of hexagonal boron nitride sheets with nano-cracks	Li, Nan		2017	140	C	p. 356-366	article
24	Modeling of glycidoxypropyltrimethoxy silane compositions using molecular dynamics simulations	Chowdhury, Sanjib C.		2017	140	C	p. 82-88	article
25	Optical absorption properties of Ge2–44 and P-doped Ge nanoparticles	Qin, Wei		2017	140	C	p. 148-158	article
26	Origin of the modulus anomaly over a wide temperature range of Mn0.70Fe0.25Cu0.05 alloy	Cui, Yanguang		2017	140	C	p. 89-94	article
27	Oxygen evolution and phase transformation in LCO cathode: A phase-field modeling study	Yurkiv, Vitaliy		2017	140	C	p. 299-306	article
28	Peridynamic simulations of the tetragonal to monoclinic phase transformation in zirconium dioxide	Platt, P.		2017	140	C	p. 322-333	article
29	Phase-field study on the formation of first-neighbour topological clusters during the isotropic grain growth	Perumal, Ramanathan		2017	140	C	p. 209-223	article
30	Point defects in buckled and asymmetric washboard phases of arsenic phosphorus: A first principles study	Benam, Z.H.		2017	140	C	p. 290-298	article
31	Porous graphene and graphenylene nanotubes: Electronic structure and strain effects	Fabris, Guilherme S.L.		2017	140	C	p. 344-355	article
32	Quantifying elastic energy effects on interfacial energy in the Kim-Kim-Suzuki phase-field model with different interpolation schemes	Aagesen, Larry K.		2017	140	C	p. 10-21	article
33	Simulation of dynamic recrystallization in AZ80 magnesium alloy using cellular automaton	Li, Xialei		2017	140	C	p. 95-104	article
34	Simulations of statistical domain switching model of PIC151 based on self-adaptive differential evolution algorithm	Liu, Tundong		2017	140	C	p. 55-60	article
35	Slower icosahedral cluster rejuvenation drives the brittle-to-ductile transition in nanoscale metallic glasses	Yu, Jingui		2017	140	C	p. 235-243	article
36	Stability, local structure and electronic properties of borane radicals on the Si(100) 2×1:H surface: A first-principles study	Fang, C.M.		2017	140	C	p. 253-260	article
37	The investigation on a universal local structural feature in Mg–Al alloys	Wang, Jin		2017	140	C	p. 224-234	article
38	The onset temperature (T g) of As x Se1 −x glasses transition prediction: A comparison of topological and regression analysis methods	Liu, Yue		2017	140	C	p. 315-321	article

38 results found

Koninklijke Bibliotheek - National Library of the Netherlands