相关论文: Understanding binary phase separation towards Cu-C…
We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…
Nanoscale metallic multilayer (NMM) films are systems offering insight into the role of interfaces in metal plasticity, deformation, and strengthening mechanisms. Magnetron sputtering was used to fabricate the Ta-Cu NMM films with a…
Disentangling the primary order parameter from secondary order parameters in phase transitions is critical to the interpretation of the transition mechanisms in strongly correlated systems and quantum materials. Here we present a study of…
Nanocrystalline metals contain a large fraction of high-energy grain boundaries, which may be considered as glassy phases. Consequently, with decreasing grain size, a crossover in the deformation behaviour of nanocrystals to that of…
Cu-refractory metal composites containing Cr, Mo or W were subjected to severe plastic deformation using room temperature high-pressure torsion (HPT). A lamellar microstructure developed in each of the composites at equivalent strains of…
In QCD at high density, the color-octet quark-antiquark condensate $\langle\overline\psi\gamma_0(\lambda^A)_C (\lambda^A)_F\psi\rangle$ is generally nonzero and dynamically breaks the $\mathrm{SU}(3)_C\times…
MOF/polymer composites have been widely investigated in the past decade for gas separation applications. However, the impact of MOF nanoparticle morphology and size in gas separation have not yet been systematically studied by computer…
Molecular dynamics simulations performed on <110> Cu nanopillars revealed significant difference in deformation behavior of nanopillars with and without twin boundary. The plastic deformation in single crystal Cu nanopillar without twin…
The microstructure of a Cu/V nanocomposite wire processed by cold drawing was investigated by high resolution transmission electron microscopy and atom probe tomography. The experimental data clearly reveal some deformation induced…
Mysteries in binary phase diagram are still in existence, e.g., the case in Cu-Ni which is mutual miscible system, the question addressed that "Indirect experimental evidence indicates the presence of a miscibility gap in the fcc phase at a…
Dynamical density functional simulations reveal structural aspects of crystal nucleation in undercooled liquids: the first appearing solid is amorphous, which promotes the nucleation of bcc crystals, but suppresses the appearance of the fcc…
Intricate biomineralization processes in molluscs engineer hierarchical structures with meso-, nano-, and atomic architectures that give the final composite material exceptional mechanical strength and optical iridescence on the macroscale.…
Recently holographic techniques have been used to study the thermal properties of N=2 super-Yang-Mills theory, with gauge group SU(Nc) and coupled to Nf << Nc flavours of fundamental matter, at large Nc and large 't Hooft coupling. Here we…
Much scientific and practical interest is currently focused on the atomic-scale mechanical behaviors of metallic nanocrystals with different crystal structures at room temperature, while the high-temperature plastic deformation in tungsten…
We simulate structure in the vicinity of different size nanovoids using a new variant of the Molecular Statics, wherein atomic structure in the vicinity of nanovoids and the parameters that define the displacements of atoms placed in…
Bulk nanocrystalline materials of small and medium ferromagnetic content were produced using severe plastic deformation by high-pressure torsion at roomtemperature. Giant magnetoresistive behavior was found for as deformed materials, which…
We present adaptive finite element simulations of dendritic and eutectic solidification in binary and ternary alloys. The computations are based on a recently formulated phase-field model that is especially appropriate for modelling…
A multiscale scheme combining molecular dynamics (MD) and microscopic phase-field theory is proposed to study the structural phase transformations in solids with inhomogeneous strain field. The approach calculates strain response based on…
Magneto-structural properties of films of diluted ferromagnetic alloys Ni$_x$Cu$_{1-x}$ in the concentration range $0.7 < x < 1.0$ are studied experimentally. Films deposited by magnetron sputtering show partial phase separation, as…
Amorphous carbon (a-C) materials have diverse interesting and useful properties, but the understanding of their atomic-scale structures is still incomplete. Here, we report on extensive atomistic simulations of the deposition and growth of…