Related papers: Interatomic potential for the calculation of barri…
Chemical segregation and structural transitions at interfaces are important nanoscale phenomena, making them natural targets for atomistic modeling, yet interatomic potentials must be fit to secondary physical properties. To isolate the…
Amorphous oxide tunneling barriers, primarily formed from aluminum, represent one of the most widely adopted platforms for superconducting quantum bits (qubits). To overcome challenges associated with defects and sample variance among the…
Interatomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main application is the effective simulation of many-atom systems. Here, we review empirical interatomic potentials designed to…
The mechanical loss angle of amorphous TiO$_2$-doped GeO$_2$ can be lower than 10$^{-4}$, making it a candidate for Laser Interferometer Gravitational-wave Observatory (LIGO) mirror coatings. Amorphous oxides have complex atomic structures…
We demonstrate a transformational technique for controllably tuning the electrical properties of fabricated thermally oxidized amorphous aluminum-oxide tunnel junctions. Using conventional test equipment to apply an alternating bias to a…
A possible mechanism of electronic phase separation in the systems with orbital ordering is analyzed. We suggest a simple model taking into account an interplay between the delocalization of charge carriers introduced by doping and the…
A number of electronic devices involve metal/oxide interfaces in their structure where the oxide layer plays the role of electrical insulator. As the downscaling of devices continues, the oxide thickness can spread over only a few atomic…
High precision measurements of the fusion excitation functions for the reactions ^{40}Ca + ^{194}Pt, ^{192}Os clearly demonstrate that projectile excitation significantly modifies the potential barrier distribution. In sharp contrast,…
An analytical solution to the problem of decreasing the energy losses $\Omega$ in diode current interrupters during recovery of the blocking ability by optimizing dopant distribution $N(x)$ over structure thickness has been obtained. It was…
Eigen-channel approach to heavy-ion fusion reactions is exact only when the excitation energy of the intrinsic motion is zero. In order to take into account effects of finite excitation energy, we introduce an energy dependence to weight…
Effective oscillator strength distributions are systematically generated and tabulated for the alkali atoms, the alkaline-earth atoms, the alkaline-earth ions, the rare gases and some miscellaneous atoms. These effective distributions are…
The development of differentiable invariant descriptors for accurate representations of atomic environments plays a central role in the success of interatomic potentials for chemistry and materials science. We introduce a method to generate…
We extend our recently developed interatomic potentials for UO_{2} to the mixed oxide fuel system (U,Pu,Np)O_{2}. We do so by fitting against an extensive database of ab initio results as well as to experimental measurements. The…
The recent availability of precisely measured fusion cross-sections has enabled the extraction of a representation of the distribution of barriers encountered during fusion. These representations, obtained from a variety of reactions,…
We investigate the short-time dynamics of a delta-function potential barrier on an initially confined wave-packet. There are mainly two conclusions: A) At short times the probability density of the first particles that passed through the…
Ultracold polar molecules in multilayered systems have been experimentally realized very recently. While experiments study these systems almost exclusively through their chemical reactivity, the outlook for creating and manipulating exotic…
Dipolar interactions govern the structure and dynamics of many soft-matter systems, from molecular to colloids assemblies. When dipole moments are induced by an external field, mutual interactions lead to a many-body magnetization response…
Diffusion of a particle in the N-dimensional external potential which is periodic in one dimension and unbounded in the other N-1 dimensions is investigated. We find an analytical expression for the overdamped diffusion and study…
Aluminum oxide nanoparticles are increasingly sought in numerous technological applications. However, as the nanoparticles grow during the synthesis, two phase transitions occur. At the nanoscale, numerical simulation of the stability of…
The molecular dynamics method is applied to simulate the recrystallization of an amorphous/crystalline silicon interface. The atomic structure of the amorphous material is constructed with the method of Wooten, Winer, and Weaire. The…