Related papers: Compound-tunable embedding potential method and it…
A Moment Tensor Potential (MTP) has been developed for the Cu-Ag binary alloy and its accuracy, transferability, and thermodynamic fidelity evaluated. The model was trained on a diverse dataset encompassing solid, liquid, and interfacial…
The finite element methods (FEM) are important techniques in engineering for solving partial differential equations, but they depend heavily on element shape quality for stability and good performance. In this paper, we introduce the…
We present an experimental method to create a single high frequency optical trap for atoms based on an elongated Hermite-Gaussian TEM01 mode beam. This trap results in confinement strength similar to that which may be obtained in an optical…
The spatial arrangement of adsorbates deposited onto a clean surface in vacuum typically cannot be reversibly tuned. Here we use scanning tunneling microscopy to demonstrate that molecules deposited onto graphene field-effect transistors…
Structural, elastic and thermal properties of cementite (Fe$_3$C) were studied using a Modified Embedded Atom Method (MEAM) potential for iron-carbon (Fe-C) alloys. Previously developed Fe and C single element potentials were used to…
This article considers the NURBS-Enhanced Finite Element Method (NEFEM) applied to the compressible Navier-Stokes equations. NEFEM, in contrast to conventional finite element formulations, utilizes a NURBS-based computational domain…
Metasurfaces allow for the spatiotemporal variation of amplitude, phase, and polarization of optical wavefronts. Implementation of active tunability of metasurfaces promises compact flat optics capable of reconfigurable wavefront shaping.…
Transistors made up of carbon nanotubes CNT have demonstrated excellent current-voltage characteristics which outperform some high-grade silicon-based transistors. A continuously tunable energy barrier across semiconductor interfaces is…
The thermodynamics of point defects is crucial for determining the functional properties of materials. Defect stability is typically assessed using grand-canonical defect formation energy, which requires deducing the equilibrium chemical…
We introduce a Gaussian approximation potential (GAP) for atomistic simulations of liquid and amorphous elemental carbon. Based on a machine-learning representation of the density-functional theory (DFT) potential-energy surface, such…
Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining the electric dipole moment of the electron (eEDM), in order to explore physics beyond the Standard Model, requires a synergy…
A trapped atom interferometer involving state-selective adiabatic potentials with two microwave frequencies on a chip is proposed. We show that this configuration provides a way to achieve a high degree of symmetry between the two arms of…
We consider the feasibility of observing a trap-induced resonance [Stock et al., Phys. Rev. Lett. 91, 183201 (2003)] for the case of two 133Cs atoms, trapped in separated wells of a polarization-gradient optical lattice, and interacting…
We report first principles theory-based comparative electronic transport studies performed for an atomic chain of Au, bare Cd9Te9 cage-like cluster and single transition metal (TM) (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd) atom…
The presence of a point defect typically breaks the stoichiometry in a semiconductor. For example, a vacancy on an A-site in an AB compound makes the crystal B-rich. As the stoichiometry changes, so do the chemical potentials. While the…
Correlated systems represent a class of materials that are difficult to describe through traditional electronic structure methods. The computational demand to simulate the structural dynamics of such systems, with correlation effects…
A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…
The kernel embedding algorithm is an important component for adapting kernel methods to large datasets. Since the algorithm consumes a major computation cost in the testing phase, we propose a novel teacher-learner framework of learning…
We present the design and fabrication of an endcap-type Paul trap. The trap is designed for studies with Ca$^{+}$ and Yb$^{+}$. The design, fabrication process, and characterization are presented in detail with a focus on trapping a single…
We describe a new class of nanoscale structured metals wherein the effects of quantum confinement are combined with dispersive metallic electronic states to induce modifications to the fundamental low-energy microscopic properties of a…