Related papers: Solute diffusion calculation in Fe-Si and Fe-Cr-Si…
The temporal interface microstructure and diffusion in the diffusion couples with the mutual interactions of temperature gradient, concentration difference and initial aging time of the alloys were studied by phase-field simulation, the…
We discuss hydrogen diffusion and solubility in aluminum alloyed Fe-Mn alloys. The systems of interest are subjected to tetragonal and isotropic deformations. Based on ab initio modelling, we calculate solution energies, then employ…
Understanding the role of solute diffusivities in equilibrium tie-line selection during growth of a second phase in ternary and higher multicomponent two phase alloys is an important problem due to the strong dependence of mechanical…
We calculate the momentum diffusion coefficient for heavy quarks in SU(3) gluon plasma at temperatures 1-2 times the deconfinement temperature. The momentum diffusion coefficient is extracted from a Monte Carlo calculation of the…
A model for diffusion-controlled spherical particle growth is presented and solved numerically, showing how, on cooling at sufficient rate from a given fraction solid, growth velocity first increases, and then decreases rapidly when solute…
Machine learning methods, such as diffusion models, are widely explored as a promising way to accelerate high-fidelity fluid dynamics computation via a super-resolution process from faster-to-compute low-fidelity input. However, existing…
The precision measurement of diffusion coefficient of solution is very important for the clear understanding of material transfer and interaction between the materials. But the high precision measurement of diffusion coefficient is very…
A two stream model of boron diffusion in silicon has been developed. The model is intended for simulation of transient enhanced diffusion including redistribution of ion-implanted boron during low temperature annealing. The following…
A combination of experimental techniques and molecular dynamics (MD) computer simulation is used to investigate the diffusion dynamics in Al80Ni20 melts. Experimentally, the self-diffusion coefficient of Ni is measured by the long-capillary…
We present a detailed study of the exchange-correlation hole and exchange-correlation energy per particle in the Si crystal as calculated by the Variational Monte Carlo method and predicted by various density functional models. Nonlocal…
A classical molecular static technique (CMST) and DFT calculations using SIESTA, are employed here to characterize the self diffusion and the tracer solute diffusion in the bulk of BCC diluted $FeCr$ alloy driven by both vacancy and…
Enhancing properties and performances of aluminium alloys by a control of their solidification is pivotal in automotive and aerospace industries. The fundamental role of the structure-diffusion relationship is investigated for Al-Mg-Si…
Diffusion in a multidimensional energy surface with minima and barriers is a problem of importance in statistical mechanics and also has wide applications, such as protein folding. To understand it in such a system, we carry out theory and…
The diffusion coefficient of a circular shaped inclusion in a liquid membrane is investigated by taking into account the interaction between membranes and bulk solvents of arbitrary thickness. As illustrative examples, the diffusion…
Large scale molecular dynamics and grand canonical Monte Carlo simulation techniques are used to study the behavior of the interdiffusion of a solvent into an entangled polymer matrix as the state of the polymer changes from a melt to a…
Several static and dynamic properties of liquid silicon near melting have been determined from an orbital free {\em ab-initio} molecular dynamics simulation. The calculated static structure is in good agreement with the available X-ray and…
A comprehensive model of high-concentration phosphorus diffusion has been developed and simulation of phosphorus diffusion from a constant source (phosphosilicate glass) at a temperature of 890 Celsius degrees for 14.25 min. has been…
Analysis of signal fluctuations of a locally fixed probe, caused by molecules diffusing under the probe, can be used to determine diffusion coefficients. Theoretical treatments so far have been limited to point-like particles or to…
Energy carrier transport and recombination in emerging semiconductors can be directly monitored with optical microscopy, leading to the measurement of the diffusion coefficient (D), a critical property for design of efficient optoelectronic…
A theoretical investigation of the microscopic mechanisms provided the transient enhanced diffusion of boron atoms during rapid thermal annealing of silicon substrates doped by high fluence ion implantation was carried out. To compare the…