相关论文: Energy of Ni/Ni$_{3}$Al Interface: a Temperature-D…
The temperature dependence of the solid-liquid interfacial free energy, {\gamma}, is investigated for Al and Ni at the undercooled temperature regime based on a recently developed persistent-embryo method. The atomistic description of the…
Monte Carlo computer simulations with an embedded-atom potential are applied to study coherent gamma/gamma' interfaces in the Ni-Al system. The (100) interface free energy has been extracted from the power spectrum of equilibrium shape…
The interface tension in the three-dimensional Ising model in the low temperature phase is investigated by means of the Monte Carlo method. Together with other physically relevant quantities it is obtained from a calculation of time-slice…
We discuss a computationally efficient classical many-body potential designed to model the Al-Al interaction in a wide range of bonding geometries. We show that the potential yields results in properties in excellent agreement with…
Density functional theory calculations have been performed to study the structures and energetics of coherent and semicoherent TiC/Fe interfaces. A systematic method for determining the interfacial energy for the semicoherent interface with…
Using electron-induced X-ray emission spectroscopy (XES), we have studied two Al/Ni periodic multilayers that differ only by their annealing temperature: as-deposited and annealed at 115C. Our aim is to show that XES can provide further…
Compositionally graded interfaces in power electronic devices eliminate dislocations, but they can also decrease thermal conduction, leading to overheating. We quantify the thermal resistances of GaN/AlN graded interfaces of varying…
We analyse Monte Carlo data for the energy and specific heat at and close to the critical point of the 3D cubic Ising model. From the finite size scaling of the energy E and the specific heat C at criticality we obtain the estimate nu =…
Hole formation in a polycrystalline Ni film on an $\alpha$-Al$_2$O$_3$ substrate coupled with a continuum diffusion analysis demonstrates that Ni diffusion along the Ni/$\alpha$-Al$_2$O$_3$ interface is surprisingly fast. Ab initio…
We perform large-scale shell model Monte Carlo (SMMC) calculations for many nuclei in the mass range A=56-65 in the complete pfg_{9/2}d_{5/2} model space using an effective quadrupole-quadrupole+pairing residual interaction. Our…
Thermal transport across interfaces is an important issue for microelectronics, photonics, and thermoelectric devices and has been studied both experimentally and theoretically in the past. In this paper, thermal interface resistance (1/G)…
By calculating the contribution of the $\pi-\pi$ three-body force to the three-nucleon binding energy in terms of the $\pi N$ amplitude using perturbation theory, we are able to determine the importance of the energy dependence and the…
Excess contributions to the free energy due to interfaces occur for many problems encountered in the statistical physics of condensed matter when coexistence between different phases is possible (e.g. wetting phenomena, nucleation, crystal…
The energies of a pair of strongly-interacting subsystems with arbitrary noninteger charges are examined from closed and open system perspectives. An ensemble representation of the charge dependence is derived, valid at all interaction…
We derive a formula, useful for first-principles calculations, which relates the free energy of an oxide/metal interface to the free energies of surfaces and the work of separation of the interface. We distinguish the latter {\it…
Ni/Al reactive multilayers are promising materials for applications requiring controlled local energy release and superior mechanical performance. This study systematically investigates the impact of compositional variations, ranging from…
We investigate segregation behavior of additive elements M (= Ni, Cr) at the C11b/D8m interface for MoSi2- Mo5Si3 alloys, based on first-principles calculation. We first find energetically stable interface structure with interface energy of…
Aluminum nitride (AlN) plays a key role in modern power electronics and deep-ultraviolet photonics, where an understanding of its thermal properties is essential. Here we measure the thermal conductivity of crystalline AlN by the…
We have studied the properties of A=54 and A=64 isobars at temperatures T \leq 2 MeV via Monte Carlo shell model calculations with two different residual interactions. In accord with empirical indications, we find that the symmetry energy…
The thermal interface conductance between Al and Si was simulated by a non-equilibrium molecular dynamics method. In the simulations, the coupling between electrons and phonons in Al are considered by using a stochastic force. The results…