Keywords: مدل سازی اتومیستی; Dislocations; Magnesium; Crystal plasticity; Schmid law; Atomistic modeling;
مقالات ISI مدل سازی اتومیستی (ترجمه نشده)
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Keywords: مدل سازی اتومیستی; Anti-icing; Atomistic modeling; Molecular dynamics; Adhesion; Interface mechanics;
Keywords: مدل سازی اتومیستی; Uncertainty; Sensitivity analyses; Atomistic modeling; bcc metals; MEAM potential;
Keywords: مدل سازی اتومیستی; Atomistic modeling; Random alloys; Rigid lattice;
Keywords: مدل سازی اتومیستی; Stacking fault; Dislocation; Face centered cubic; Atomistic modeling
Keywords: مدل سازی اتومیستی; Nanocrystalline materials; Thermal stability; Mechanical behavior; Complexions; Grain boundary; Segregation; Intergranular films; Atomistic modeling;
Keywords: مدل سازی اتومیستی; Grain boundaries; Copper; Nickel; Excess volume; Atomistic modeling;
Keywords: مدل سازی اتومیستی; Grain boundary segregation; Atomistic modeling; Impurity doped ZrO2;
Keywords: مدل سازی اتومیستی; Dislocation; Nye tensor; Atomistic modeling; Simulation; Plastic deformation;
Keywords: مدل سازی اتومیستی; Silicon germanium; Object Kinetic Monte Carlo; Atomistic modeling; Segregation
Exchange bias mechanism in FM/FM/AF spin valve systems in the presence of random unidirectional anisotropy field at the AF interface: The role played by the interface roughness due to randomness
Keywords: مدل سازی اتومیستی; Atomistic modeling; Exchange bias; Magnetic multilayers; Monte Carlo; Spin valve;
Melting temperature of CoCrFeNiMn high-entropy alloys
Keywords: مدل سازی اتومیستی; High entropy alloys; Alloy design; Melting temperature; BFS method; Atomistic modeling;
Composite materials containing chromophores with 3,7-(di)vinylquinoxalinone Ï-electron bridge doped into PMMA: Atomistic modeling and measurements of quadratic nonlinear optical activity
Keywords: مدل سازی اتومیستی; NLO chromophores; Atomistic modeling; Divinylquinoxalinone bridge; Solvatochromic behavior; TD-DFT calculations; Thermostability; NLO coefficients;
Atomistic modeling of capillary-driven grain boundary motion in Cu-Ta alloys
Keywords: مدل سازی اتومیستی; Atomistic modeling; Grain boundary; Zener pinning; Cluster precipitation;
Quantifying and connecting atomic and crystallographic grain boundary structure using local environment representation and dimensionality reduction techniques
Keywords: مدل سازی اتومیستی; Grain boundaries; Atomistic modeling; Atomic structure; Crystallography; Local environment representation;
Modified NEGF method for atomistic modeling of field emission from carbon nanotube
Keywords: مدل سازی اتومیستی; NEGF; Atomistic modeling; Field emission; Carbon nanotube;
Lattice kinetic Monte Carlo simulation of epitaxial growth of silicon thin films in H2/SiH4 chemical vapor deposition systems
Keywords: مدل سازی اتومیستی; Atomistic modeling; LKMC; Epitaxial growth; Silane; Hydrogen;
Defect character at grain boundary facet junctions: Analysis of an asymmetric Σ = 5 grain boundary in Fe
Keywords: مدل سازی اتومیستی; Grain-boundaries; Dislocations; Faceting; Electron microscopy; Atomistic modeling;
Effect of segregated alloying element on the intrinsic fracture behavior of Mg
Keywords: مدل سازی اتومیستی; Atomistic modeling; (Semi)-empirical potentials; Fracture; Dislocation; Brittle-to-ductile transition;
Stacking fault based analysis of shear mechanisms at interfaces in lamellar TiAl alloys
Keywords: مدل سازی اتومیستی; Atomistic modeling; Nanostructured metals; Stacking fault energy; Grain boundary sliding; Titanium aluminides;
Atomistic simulations of the nanoindentation-induced incipient plasticity in Ni3Al crystal
Keywords: مدل سازی اتومیستی; Nanoindentation; Dislocations; Atomistic modeling; Nickel based superalloys;
Strength prediction in NiCo alloys - The role of composition and nanotwins
Keywords: مدل سازی اتومیستی; Atomistic modeling; A. Strengthening mechanisms; A. Dislocations; B. Residual stress; C. Electron microscopy;
Quasi-atomistic modeling of the microstructure evolution in binary alloys and its application to the FeCr case
Keywords: مدل سازی اتومیستی; Atomistic modeling; Phase transformation kinetics; Monte Carlo techniques; Fe-Cr; Spinodal decomposition;
First-principles calculations on sulfur interacting with ternary Pd–Ag-transition metal alloy membrane alloys
Keywords: مدل سازی اتومیستی; Membrane; Pd-alloy; H2S; Atomistic modeling
Anisotropic radiation-induced segregation in 316L austenitic stainless steel with grain boundary character
Keywords: مدل سازی اتومیستی; Radiation-induced segregation; Grain boundaries; Ion irradiation; Atomistic modeling; Austenitic steel;
Atomistic simulations of the interaction of alloying elements with grain boundaries in Mg
Keywords: مدل سازی اتومیستی; Magnesium; Rare earth; Grain boundary; Atomistic modeling;
Atomistic modeling of the order–disorder phase transformation in the Ni2Cr model alloy
Keywords: مدل سازی اتومیستی; Nickel alloys; Monte Carlo; Phase transformations; Long-range ordering; Atomistic modeling
Atomistic modeling of the interaction between matrix dislocation and interfacial misfit dislocation networks in Ni-based single crystal superalloy
Keywords: مدل سازی اتومیستی; Atomistic modeling; Interfacial misfit dislocation networks; Matrix dislocation; Strengthening mechanism; Ni-based single crystal superalloy;
Cantilevered single walled boron nitride nanotube based nanomechanical resonators of zigzag and armchair forms
Keywords: مدل سازی اتومیستی; Single walled boron nitride nanotubes (SWBNNTs); Atomistic modeling; Resonant frequency shift; Finite element method (FEM);
Optical TCAD on the Net: A tight-binding study of inter-band light transitions in self-assembled InAs/GaAs quantum dot photodetectors
Keywords: مدل سازی اتومیستی; Optoelectronics; Tight-binding; Atomistic modeling; III–V photodetector; Parallel computing; Science gateway
Patterning of martensitic nanotwins
Keywords: مدل سازی اتومیستی; Atomistic modeling; Martensite; Nanotwin; Monte Carlo simulation; Shape memory alloys
Slip transmission across fcc/bcc interfaces with varying interface shear strengths
Keywords: مدل سازی اتومیستی; Dislocation; Interfaces; Slip transmission; Atomistic modeling
Atomistic modeling of micromechanisms and T-stress effects in fracture of iron
Keywords: مدل سازی اتومیستی; Fracture; Atomistic modeling; Iron; T-stress; Dislocations
Atomistic modeling of the effect of codoping on the atomistic structure of interfaces in α-alumina
Keywords: مدل سازی اتومیستی; Grain boundaries; Impurities; Interfaces; Al2O3; Atomistic modeling
Passivation of steel surface: An atomistic modeling approach aided with X-ray analyses
Keywords: مدل سازی اتومیستی; Passivation; Corrosion; Quantum mechanics; Atomistic modeling; Iron oxidation
Computational scheme for ab-initio predictions of chemical compositions interfaces realized by deposition growth
Keywords: مدل سازی اتومیستی; DFT; Chemical vapor deposition; CVD; Growth; Atomistic modeling
Atomistic mechanisms of lithium insertion in amorphous silicon
Keywords: مدل سازی اتومیستی; Battery; Lithium; Atomistic modeling; Silicon; Electrochemically driven solid state amorphization
Modeling of stable and metastable structures of Co, Cr, or Fe deposited on Ag(100) substrates
Keywords: مدل سازی اتومیستی; Atomistic modeling; Silver; Cobalt; Iron; Chromium
The influence of interface shear strength on the glide dislocation–interface interactions
Keywords: مدل سازی اتومیستی; Atomistic modeling; Dislocation; Interfaces; Multilayers
Atomistic modeling of crack growth in magnesium single crystal
Keywords: مدل سازی اتومیستی; Atomistic modeling; Embedded Atom Method; Crack growth; Magnesium single crystal;
Atomic-scale modeling of nanostructure formation in Fe–Ga alloys with giant magnetostriction: Cascade ordering and decomposition
Keywords: مدل سازی اتومیستی; Iron; Gallium; Magnetostriction; Atomic ordering; Atomistic modeling
An interatomic potential for aluminum arsenide: A molecular dynamics study
Keywords: مدل سازی اتومیستی; Semiconductor compound; Aluminum arsenide; Molecular dynamics simulation; Atomistic modeling; Interatomic potential
Surface properties, thermal expansion, and segregation in the U–Zr solid solution
Keywords: مدل سازی اتومیستی; Segregation; Atomistic modeling; Uranium; Zirconium; Thermal expansion
Crystal chemistry and optimization of conductivity in 2A, 2M and 2H alkaline earth lanthanum germanate oxyapatite electrolyte polymorphs
Keywords: مدل سازی اتومیستی; Oxide ion conduction; Apatite; Solid oxide fuel cell; Crystal structure; Atomistic modeling
Systematic coarse-graining of spectrin-level red blood cell models
Keywords: مدل سازی اتومیستی; Atomistic modeling; Dissipative particle dynamics; Spectrin model
Nanostructurally small cracks (NSC): A review on atomistic modeling of fatigue
Keywords: مدل سازی اتومیستی; Embedded atom method; Fatigue; Nanostructurally small crack; Atomistic modeling; Structural nanomaterials
Atomistic modeling of interfaces and their impact on microstructure and properties
Keywords: مدل سازی اتومیستی; Atomistic modeling; Interatomic potentials; First-principles methods; Molecular dynamics; Interfaces
Interfaces of high-k dielectrics on GaAs: Their common features and the relationship with Fermi level pinning (Invited Paper)
Keywords: مدل سازی اتومیستی; GaAs MOS; High-k; Atomic layer deposition ALD; Atomistic modeling
Nature of the magnetic interaction between Fe-porphyrin molecules and ferromagnetic surfaces
Keywords: مدل سازی اتومیستی; Fe-porphyrin; Indirect exchange coupling; Atomistic modeling; DFTÂ +Â U calculations;
Solidification microstructures and solid-state parallels: Recent developments, future directions
Keywords: مدل سازی اتومیستی; Solidification microstructures; Solid-state phase transformations; Solid-liquid interface; Phase-field modeling; Atomistic modeling