Related papers: Machine Learned Interatomic Potential for Dispersi…
We show that a deep-learning neural network potential (DP) based on density functional theory (DFT) calculations can well describe Cu-Zr materials, an example of a binary alloy system that can coexist in several ordered intermetallics and…
The main aim of this study is to scrutinize promising plasmonic materials by understanding their electronic structure and correlating them to the optical properties of selected refractory materials. For this purpose, the electronic and…
Nanostructured Zinc oxide (ZnO) was synthesized via a ball milling for 10 hours using high energy planetary ball mill. Phase purity and homogeneity of all the samples have been investigated by X-ray diffraction (XRD) and Field Emission…
Two-dimensional van der Waals (vdW) materials exhibit a broad palette of unique and superlative properties, including high electrical and thermal conductivities, paired with the ability to exfoliate or grow and transfer single layers onto a…
Developing materials that can withstand the intense environments of nuclear fusion reactors is critical in developing long-term commercial viability for energy production. Tungsten is the primary candidate as a plasma facing material due to…
Machine learning (ML) based interatomic potentials are emerging tools for materials simulations but require a trade-off between accuracy and speed. Here we show how one can use one ML potential model to train another: we use an existing,…
We report a significant enhancement of superconducting transition temperature ($\textit{T}_\textrm{c}$) of transition metal dichalcogenide (TMD) superconductor $\textrm{NbTe}_2$ from 0.56 K to 2.8 K. Detailed x-ray structure analysis…
Radiation creep and swelling are irreversible deformation phenomena occurring in materials irradiated even at low temperatures. On the microscopic scale, energetic particles initiate collision cascades, generating and eliminating defects…
The transport properties of matter have been widely investigated. In particular, shear viscosity over a wide parameter space is crucial for various applications, such as designing inertial confinement fusion (ICF) targets and determining…
Machine-learning potentials for materials, namely the moment tensor potentials (MTPs), were validated using experimental EXAFS spectra for the first time. The MTPs for four metals (bcc W and Mo, fcc Cu and Ni) were obtained by the active…
For certain complex superconducting systems, the superconducting properties get enhanced under mesoscopic point contacts made of elemental non-superconducting metals. However, understanding of the mechanism through which such contact…
Advances in analytical scanning transmission electron microscopy (STEM) and microelectronic mechanical systems (MEMS) based microheaters have enabled in-situ materials characterization at the nanometer scale at elevated temperature. In…
Recent reported very high thermal conductivities in the cubic boron arsenide (BAs) and boron phosphide (BP) crystals could potentially provide a revolutionary solution in the thermal management of high power density devices. To fully…
We introduce interatomic potentials for tungsten in the bcc crystal phase and its defects within the Gaussian Approximation Potential (GAP) framework, fitted to a database of first principles density functional theory (DFT) calculations. We…
Scaling of transistors has enabled continuous improvements in logic device performance, especially through materials engineering. However, surpassing horizontal limitations in chip manufacturing requires a vertical, third dimension.…
A machine-learned spin-lattice interatomic potential (MSLP) for magnetic iron is developed and applied to mesoscopic scale defects. It is achieved by augmenting a spin-lattice Hamiltonian with a neural network term trained to descriptors…
Thermal fusion plasmas initiated by standing whistler waves are investigated numerically by two- and one-dimensional Particle-in-Cell simulations. When a standing whistler wave collapses due to the wave breaking of ion plasma waves, the…
The peculiarities of thermal expansion of $bcc$ and $fcc$ zirconium films with (100) and (110) crystallographic orientations are studied at a constant zero pressure by the molecular dynamics (MD) method with a many-body interatomic…
The emergence of high transition temperature (Tc) superconductivity in strongly correlated materials remains a major unsolved problem in physics. High-Tc materials, such as cuprates, are generally complex and not easily tunable, making…
Kinetic-inductance traveling-wave parametric amplifiers (KI-TWPAs) offer broadband near-quantum-limited amplification with high saturation power. Due to the high critical magnetic fields of high-kinetic-inductance materials, KI-TWPAs should…