相关论文: Evaluating Compression and Nanoindentation in FCC …
First-principles alloy theory, formulated within the exact muffin-tin orbitals method in combination with the coherent-potential approximation, is used to study the mechanical properties of ferromagnetic body-centered cubic (bcc)…
We developed and validated an accurate inter-atomic potential for molecular dynamics simulation in cubic silicon carbide (3C-SiC) using a deep learning framework combined with smooth Ziegler-Biersack-Littmark (ZBL) screened nuclear…
A novel embedded atom method (EAM) potential for the Xi-phases of Al-Pd-Mn has been determined with the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are…
In this chapter, we investigate the bending behavior of a perforated nanobeam subjected to sinusoidal loading using an efficient and computationally robust Physics-Informed Functional Link Constrained Framework with Domain Mapping (DFL-TFC)…
Aluminum scandium nitride (AlScN) ferroelectrics are promising for next-generation non-volatile memory applications due to high remnant polarization compared with Pb(ZrxTi1-x)O3 and doped-HfO2 material systems, as well as their fast…
Superconductor-normal-superconductor (SC-N-SC) weak links enable Cooper-pair tunneling and serve as Josephson junctions (JJs) used in modern superconducting qubits. Conventional JJs rely on vertically stacked Al-AlOx-Al trilayers that are…
Difference dilatometry and differential scanning calorimetry (DSC) are used to investigate defect annealing in ultrafine grained nickel processed by equal channel angular pressing (ECAP) at various temperatures. Different defect types and…
Recent Atomic Force Microscope (AFM) nanoindentation experiments measuring mechanical response of the protein shells of viruses have provided a quantitative description of their strength and elasticity. To better understand and interpret…
Large scale atomistic simulations with suitable interatomic potentials are widely employed by scientists or engineers of different areas. Quick generation of high-quality interatomic potentials is of urgent need under present circumstances,…
The present work investigates the atomic interactions among Cu, Al, and Ni elements in bcc-iron matrix, focusing on the formation mechanism of nano-sized core-shell Cu precipitates. Using a combination of atom probe tomography (APT),…
In this work, we study the effect of dipole-dipole interparticle interactions on the static thermodynamic and magnetic properties of an ensemble of immobilized monodisperse superparamagnetic nanoparticles. We assume that magnetic…
We report a method for probing electromechanical properties of multiwalled carbon nanotubes(CNTs). This method is based on AFM measurements on a doubly clamped suspended CNT electrostatically deflected by a gate electrode. We measure the…
First-principles calculations of the effect of carbon coverage on the atomic, electronic and magnetic structure of nickel and iron substrates demonstrate insignificant changes in the interatomic distances and magnetic moments on the atoms…
Irradiation-induced vacancy evolution in face-centered cubic (FCC) Ni under mechanical strains was studied using molecular dynamics simulations. Applied hydrostatic strain led to different stable forms of vacancy clusters, i.e., voids under…
The rotational bands in nuclei with $Z \approx 100$ are investigated systematically by using a cranked shell model (CSM) with the pairing correlations treated by a particle-number conserving (PNC) method, in which the blocking effects are…
We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that when superposed onto the potentials for the pure elements can reproduce not only the heat of mixing of the solid solution…
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…
Twenty-one distinct AlxCoCrFeNi alloys were rapidly prepared by laser alloying an equiatomic CoCrFeNi substrate with Al powder to create an alloy library ranging x=0.15-1.32. Variations in crystal structure, microstructure and mechanical…
Complex, concentrated, multi-component alloys have been shown to display outstanding thermo-mechanical properties, that have been typically attributed to sluggish diffusion, entropic, and lattice distortion effects. Here, we investigate two…
The nature of stacking faults - whether intrinsic or extrinsic - plays a pivotal role in defect-mediated processes in crystalline materials. Yet, current electron microscopy techniques for their reliable analysis remain limited to either…