Related papers: Grain Boundary Diffusion in Copper under Tensile S…
We describe an optical scattering study of grain boundary premelting in water ice. Ubiquitous long ranged attractive polarization forces act to suppress grain boundary melting whereas repulsive forces originating in screened Coulomb…
By detailed first-principles calculations we show that the Fermi energy and the Rashba splitting in disordered ternary surface alloys (BiPbSb)/Ag(111) can be independently tuned by choosing the concentrations of Bi and Pb. The findings are…
Strong room-temperature grain coarsening in gold films on polyimide induced by cyclic uniaxial mechanical strain is demonstrated. Detailed electron backscatter diffraction analysis revealed that, in contrast to the predictions of…
Grain boundaries affect properties of polycrystalline materials. The influence of a boundary is largely determined by its energy. Grain boundary energy is often portrayed as a function of macroscopic boundary parameters representing grain…
Vacuum-energy calculations with ideal reflecting boundaries are plagued by boundary divergences, which presumably correspond to real (but finite) physical effects occurring near the boundary. Our working hypothesis is that the stress tensor…
The impact of twin boundaries (TBs) on the microstructure evolution and plastic deformation mechanisms of face-centered cubic (FCC) metals has been extensively studied since the discovery that nanotwinned materials exhibit a favorable…
In alloys, solute segregation at grain boundaries is classically attributed to three driving forces: a high solution enthalpy, a high size mismatch, and a high difference in interfacial energy. These effects are generally cast into a single…
Thermal properties of graphene display peculiar characteristics associated to the two-dimensional nature of this crystalline membrane. These properties can be changed and tuned in the presence of applied stresses, both tensile and…
We investigate shock-compressed copper in the warm dense matter regime by means of density functional theory molecular dynamics simulations. We use neural-network-driven interatomic potentials to increase the size of the simulation box and…
We study the thermodynamic limit of the anisotropic XYZ spin chain with non-diagonal integrable open boundary conditions. Although the $U(1)$-symmetry is broken, by using the new parametrization scheme, we exactly obtain the surface energy…
We report direct measurements of spatially resolved stress at the boundary of a shear thickening cornstarch suspension revealing persistent regions of high local stress propagating in the flow direction at the speed of the top boundary. The…
For a stopped diffusion process in a multidimensional time-dependent domain $\D$, we propose and analyse a new procedure consisting in simulating the process with an Euler scheme with step size $\Delta$ and stopping it at discrete times…
The prototypical $\alpha\to\omega$ phase transition in zirconium is an ideal test-bed for our understanding of polymorphism under extreme loading conditions. After half a century of study, a consensus had emerged that the transition is…
We present a general theory of thermoacoustic phenomena in supercritical fluids near the critical point in a one-dimensional cell. We take into account the effects of the heat conduction in the boundary walls and the bulk viscosity near the…
Vacuum breakdowns in particle accelerators and other devices operating at high electric fields is a common problem in the operation of these devices. It has been proposed that the onset of vacuum breakdowns is associated with appearance of…
A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain…
The theory of mechanical response and stress transmission in disordered, jammed solids poses several open questions of how non-periodic networks -- apparently indistinguishable from a snapshot of a fluid -- sustain shear. We present a…
Segregation-induced structural transitions in metallic grain boundaries are studied with hybrid atomistic Monte Carlo/molecular dynamics simulations using Cu-Zr as a model system, with a specific emphasis on understanding the effect of…
We present the results of first-principles calculations of selected structural and thermodynamic properties of a set of grain boundaries (GBs) in zirconium, spanning a range of misorientation angles and boundary planes. We performed…
With heightened mining intensity, the incidence of coal bursts is escalating, necessitating advanced understanding and prediction techniques. This research delves into the intricacies of coal burst mechanisms, proposing a novel theoretical…