相关论文: Migration of helium-pair in metals
Most torsional barriers are predicted to high accuracy (about 1kJ/mol) by standard semilocal functionals, but a small subset has been found to have much larger errors. We create a database of almost 300 carbon-carbon torsional barriers,…
Tungsten is the main candidate material for plasma-facing armour components in future fusion reactors. In-service, fusion neutron irradiation creates lattice defects through collision cascades. Helium, injected from plasma, aggravates…
A new cage-structured compound - HfMn$_{2}$Zn$_{20}$ - belonging to the AB$_{2}$C$_{20}$ (A, B = transition or rare earth metals, and C = Al, Zn, or Cd) family of structures has been synthesized via the self-flux method. The new compound…
First-principles density-functional theory has been used to investigate equilibrium geometries, total energies, and diffusion barriers for H as an interstitial impurity absorbed in $\alpha$-Fe. Internal strains/stresses upon hydrogen…
Dense strongly interacting matter can exhibit regimes with spatial modulations, akin to crystalline phases. In this case particles can have a moat spectrum with minimal energy at nonzero momentum. We show that particle interferometry is a…
Traditional approaches to identify ion-transport pathways often presume equal probability of occupying all hopping sites and focus entirely on finding the lowest migration barrier channels between them. Although this strategy has been…
The proper design principles are essential for the efficient development of superionic conductors. However, the existing design principles are mainly proposed from the perspective of crystal structures. In this work, the face-centered cubic…
Pulsating white dwarfs provide constraints to the evolution of progenitor stars. We revise He-burning stellar models, with particular attention to core convection and to its connection with the nuclear reactions powering energy generation…
The results of semi-classical calculations of rate coefficients of $(n-n')$-mixing processes due to collisions of Rydberg atoms $He^{*}(n)$ with $He(1s^2)$ atoms are presented. It is assumed that these processes are caused by the resonant…
Molecular dynamics simulations are performed to investigate the structural phase transition in body-centered cubic (bcc) single crystal iron under high strain rate loading. We study the nucleation and growth of the hexagonal-close-packed…
We present experimental results of $\mu$--atomic and $\mu$--molecular processes induced by negative muons in pure helium and helium--deuterium mixtures. The experiment was performed at the Paul Scherrer Institute (Switzerland). We measured…
The ionization rate of interstellar material by cosmic rays has been a major source of controversy, with different estimates varying by three orders of magnitude. Observational constraints of this rate have all depended on analyzing the…
Achieving highly transmitting molecular junctions through resonant transport at low bias is key to the next-generation low-power molecular devices. Although, resonant transport in molecular junctions was observed by connecting a molecule…
Crystals of $^4$He contain vacancies that move around by a quantum mechanical hopping process. The density and pressure of these vacancies can be experimentally studied. The accuracy of the experiments is high enough to detect the effect of…
We have carried out torsional oscillator experiments on solid $^4$He at temperatures between 1.3K and 1.9K. We discovered phenomena similar to those observed at temperatures below 0.2K, which currently are under debate regarding their…
The ground-state properties of iron-group transition metals from Sc to Cu have been investigated on the basis of the first-principles momentum dependent local ansatz (MLA) theory. Correlation energy gain is found to show large values for Mn…
Strongly correlated Fermi systems are fundamental systems in physics that are best studied experimentally, which until very recently have lacked theoretical explanations. This review discusses the construction of a theory and the analysis…
This study demonstrates that the transport properties of alkali metals are determined principally by the repulsive wall of the pair interaction potential function. The (hard-wall) Lennard-Jones(15-6) effective pair potential function is…
We estimate the empirical R parameter in 26 Galactic Globular Clusters covering a wide metallicity range, imaged by WFPC2 on board the HST. The improved spatial resolution permits a large fraction of the evolved stars to be measured and…
We investigate the translocation of a single stranded DNA through a pore which fluctuates between two conformations, using coupled master equations. The probability density function of the first passage times (FPT) of the translocation…