相关论文: Site determination and thermally assisted tunnelin…
The adsorption and diffusion of hydrogen atoms on Cu(001) are studied using first-principles calculations. By taking into account the contribution of zero-point energy (ZPE), the originally identical barriers are shown to be different for H…
We have carried out collinear and non-collinear electronic structure calculations to investigate the structural, electronic and magnetic properties of isolated Cr atoms, dimers and compact trimers. We find that the Cr monomer prefers to…
Atoms transferred to W(111) and W(110) tip apices from the Au(111) surface during tunneling and approach to mechanical contact experiments in STM are characterized in FIM at room temperature and at 158 K. The different activation energies…
We investigate phonon thermal transport of fullerene-based single-molecule junctions by employing classical molecular dynamics simulations. The thermal conductances of fullerene monomers, dimers, and trimers are computed through three…
Hydrogen diffusion and trapping in ferritic steels containing (Ti,Cr)C particles was investigated using electrochemical permeation (EP) and thermal desorption spectroscopy (TDS). The trapping parameters for the test materials were evaluated…
In the BCS limit density profiles for unpolarized trapped fermionic clouds of atoms are largely featureless. Therefore, it is a delicate task to analyze them in order to quantify their respective interaction and temperature contributions.…
Low-temperature scanning tunneling spectroscopy allows to probe the electronic properties of clusters at surfaces with unprecedented accuracy. By means of quantum transport theory, using realistic tunneling tips, we obtain conductance…
The control of atomic motion through laser cooling has revolutionized quantum technologies, enabling applications ranging from quantum computing to precision metrology. However, the spatial spreading of subrecoil-laser-cooled atoms --…
Kinetics of homogeneous nucleation and growth of copper precipitates under electron irradiation of Fe_{1-x}Cu_x alloys at concentrations x from 0.06 at.% to 0.4 at.% and temperatures T from 290 to 450C is studied using the kinetic Monte…
A scanning tunneling microscopy (STM) image of a hydrogen-adsorbed Si(001) surface is studied using first-principles electron-conduction calculation. The resultant STM image and scanning tunneling spectroscopy spectra are in agreement with…
Deformation twinning, which occurs in fcc metals only under particular conditions of intrinsic material properties, microstructure, and loading conditions, occupies an indispensable place in their deformation mechanism maps. Nonetheless,…
We consider collisional properties of weakly bound heteronuclear molecules (dimers) formed in a two-species mixture of atoms with a large mass difference. We focus on dimers containing light fermionic atoms as they manifest collisional…
Water diffusion across the surfaces of materials is of importance to disparate processes such as water purification, ice formation, and more. Despite reports of rapid water diffusion on surfaces the molecular-level details of such processes…
To describe vibrationally mediated configuration changes of adsorbates on surfaces we have developed a new theory to calculate both reaction rates and pathways. The method uses the T-matrix to describe excitations of vibrational states by…
In this work, we studied the adsorption behavior of deposited Si atoms along with their diffusion and other dynamic processes on a Pb monolayer-covered Si(111) surface from 125-230 K using a variable-temperature scanning tunneling…
We demonstrate a spatial-imaging thermometry technique for ions in a one-dimensional Coulomb crystal by relating their imaged spatial extent along the linear radiofrequency ion trap axis to normal modes of vibration of coupled oscillators…
We demonstrate both theoretically and experimentally two limiting factors in cooling electrons using biased tunnel junctions to extract heat from a normal metal into a superconductor. Firstly, when the injection rate of electrons exceeds…
In this work we investigate Ising and classical Heisenberg models for two and three dimensional lattices in presence of diluted ferromagnetic dimers. For such models the Curie temperature as a function of ratio of intra-dimer exchange…
Temperature imaging of nanoscale systems is a fundamental problem which has myriad potential technological applications. For example, nanoscopic cold spots can be used for spot cooling electronic components while hot spots could be used for…
Leucine zippers are alpha helical monomers dimerized to a coiled coil structure. Various scenarios for dimerization span interaction of unstructured monomers that form alpha helices in the process of dimerization to preformed alpha helical…