134 results on '"Moldovan, Dorel"'
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2. Temperature dependence of generalized stacking fault free energy profiles and dissociation mechanisms of slip systems in Mg
3. Temperature dependent stacking fault free energy profiles and partial dislocation separation in FCC Cu
4. Size-dependent tensile failure of epitaxial TiN/Cu/TiN sandwich pillar structures: A combined experimentation – Atomistic simulation study
5. Molecular dynamics simulation study of the positioning and dynamics of α-tocopherol in phospholipid bilayers
6. A combined molecular dynamics/Monte Carlo simulation of Cu thin film growth on TiN substrates: Illustration of growth mechanisms and comparison with experiments
7. Quantitative prediction of rapid solidification by integrated atomistic and phase-field modeling
8. Interface kinetics of rapid solidification of binary alloys by atomistic simulations: Application to Ti-Ni alloys
9. Rapid microwave-assisted biomass delignification and lignin depolymerization in deep eutectic solvents
10. Combined molecular dynamics and phase field simulation investigations of crystal-melt interfacial properties and dendritic solidification of highly undercooled titanium
11. Mechanical failure of CrN/Cu/CrN interfacial regions under tensile loading
12. The role of the asymmetric bolaamphiphilic character of VECAR on the kinetic and structural aspects of its self-assembly: A molecular dynamics simulation study
13. Effects of Geometry and Nanotwins on Tensile Deformation of Cu Pillars Capped between Rigid Substrates: A Molecular Dynamics Simulation Study
14. Complexation of Lignin Dimers with β-Cyclodextrin and Binding Stability Analysis by ESI-MS, Isothermal Titration Calorimetry, and Molecular Dynamics Simulations
15. Grain Rotation as a Mechanism of Grain Growth in Nanocrystalline Materials
16. Numerical methodologies for investigation of moderate-velocity flow using a hybrid computational fluid dynamics — molecular dynamics simulation approach
17. Cellular fate of delivery systems and entrapped bioactives
18. Spontaneous self-rolling of aluminum (0 0 1)/(1 1 1) textured bilayer nanofilms into nanotubes and nanocoils
19. Interaction of lignin dimers with model cell membranes: A quartz crystal microbalance and molecular dynamics simulation study
20. Fracture Nucleation Phenomena and Thermally Activated Crack Dynamics in Monocrystals
21. Formation of Nanotubes and Nanocoils by Spontaneous Self-Rolling of Aluminum (001)/(111) Bilayer
22. Single Nucleotides Moving through Nanoslits Composed of Self-Assembled Monolayers via Equilibrium and Nonequilibrium Molecular Dynamics
23. Modified embedded-atom method potential for high-temperature crystal-melt properties of Ti–Ni alloys and its application to phase field simulation of solidification
24. Experimental and Molecular Dynamics Simulation Study of the Effects of Lignin Dimers on the Gel-to-Fluid Phase Transition in DPPC Bilayers
25. Quasi-Two-Dimensional Smectic States of DNA Molecules Intercalated between Lipid Membranes in Multi-Lamellar Phases
26. A Modified Embedded Atom Method Potential for High Temperature and Solid-Liquid Interfacial Properties of Ti-Ni Alloys
27. The Effect of Initial Microstructural Characteristics on Abnormal Grain Growth in Single-Phase Materials: A Mesoscopic Simulation Study
28. The Effect of Microstructural Inhomogeneity on Grain Boundary Diffusion Creep
29. Mechanism of Interfacial Coarsening in Molecular Beam Epitaxy Growth on (001) Surfaces
30. Phase Field Modeling of Solidification in Single Component Systems
31. Umbrella sampling simulations of biotin carboxylase: is a structure with an open adenosine triphosphate grasp domain stable in solution?
32. Electrophoretic Transport of Single DNA Nucleotides through Nanoslits: A Molecular Dynamics Simulation Study
33. Distinguishing Single DNA Nucleotides Based on Their Times of Flight Through Nanoslits: A Molecular Dynamics Simulation Study
34. Formation of Nanotubes and Nanocoils by Spontaneous Self-Rolling of Aluminum (001)/(111) Bilayer
35. Multi-species Fluid Flow Simulations Using a Hybrid Computational Fluid Dynamics - Molecular Dynamics Approach
36. Molecular Dynamics Simulation Study of the Effect of DMSO on Structural and Permeation Properties of DMPC Lipid Bilayers
37. Interface Dynamics and Far-From-Equilibrium Phase Transitions in Multilayer Epitaxial Growth and Erosion on Crystal Surfaces: Continuum Theory Insights
38. Behavior of the ATP grasp domain of biotin carboxylase monomers and dimers studied using molecular dynamics simulations
39. Umbrella Sampling Simulations of Biotin Carboxylase: Is a Structure with an Open ATP Grasp Domain Stable in Solution?
40. Surface stress induced structural transformations and pseudoelastic effects in palladium nanowires
41. Asymmetry of Structural Characteristics of Lipid Bilayers Induced by Dimethylsulfoxide: An Atomistic Simulation Study
42. Atomistic Simulation of Pore Formation in Lipid Bilayers in the Presence of Dimethylsulfoxide: Further Evidence for Entropic Driven Pore Formation
43. 155. Atomistic investigations of spontaneous unstable pore formation in DMPC lipid bilayers due to the presence of Me2SO
44. Molecular dynamics simulation of pore growth in lipid bilayer membranes in the presence of edge-active agents
45. Molecular Dynamics Simulation Studies of Pore Formation in Lipid Bilayers in the Presence of Dimethylsulfoxide
46. Interfacial states and far-from-equilibrium transitions in the epitaxial growth and erosion on (110) crystal surfaces
47. A Molecular Dynamics Simulation Study on the Effect of Methanol on the Structural Characteristics of Lipid Bilayers
48. Epitaxial Growth and Erosion on (110) Crystal Surfaces: Structure and Dynamics of Interfacial States
49. Scaling Behavior of Grain-Rotation-Induced Grain Growth
50. Interfacial coarsening dynamics in epitaxial growth with slope selection
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