Related papers: Effect of recrystallization on diffusion in ultraf…
Germanosilicides, especially those formed on compressive substrates, are less stable than silicides against agglomeration. By studying the solid-state reaction of Ni thin film on strained Si0.8Ge0.2(001), we show that nickel germanosilicide…
We reveal the microscopic self-diffusion process of compact tri-interstitials in silicon using a combination of molecular dynamics and nudged elastic band methods. We find that the compact tri-interstitial moves by a collective…
Hydrogen embrittlement in metals is strongly governed by hydrogen diffusion and trapping, yet predicting these effects in polycrystalline systems remains challenging. This work introduces a multiscale modeling framework that links atomistic…
We present a combined experimental and theoretical study of the self-diffusion of ammonia on exfoliated graphite. Using neutron time-of-flight spectroscopy we are able to resolve the ultrafast diffusion process of adsorbed ammonia, NH$_3$,…
We studied experimentally the effect of grain size and maximum load on the compaction and subsequent relaxation of a granular column when it is subjected to vertical uniaxial compression. The experiments were performed using two different…
The formation of helium cavities in coarse-grained materials produces hardening proportional to the number density and size of the cavities and due to the interaction of dislocations with intragranular helium defects. In nanostructured…
We investigate the clustering and dynamics of nano-sized particles (nano-dust) in high-resolution ($1024^3$) simulations of compressible isothermal hydrodynamic turbulence. It is well-established that large grains will decouple from a…
Non-linear theory of diffusion of impurities in porous materials upon ultrasonic treatment is described. It is shown that at a defined value of deformation amplitude, an average concentration of vacancies and temperature as a result of the…
We report a combined experimental and simulation study of deformation-induced diffusion in compacted two-dimensional amorphous granular pillars, in which thermal fluctuations play negligible role. The pillars, consisting of bidisperse…
We present here a detailed numerical study of the dynamical behaviour of `soft' uncompressed grains in a granular chain where the grains interact via the intrinsically nonlinear Hertz force. It is well known that such a chain supports the…
Simulation-based approaches to microstructure generation can suffer from a variety of limitations, such as high memory usage, long computational times, and difficulties in generating complex geometries. Generative machine learning models…
Thermal dust polarization is a powerful tool to probe magnetic fields ($\textbf{B}$) and grain properties. However, a systematic study of the dependence of dust polarization on grain properties in protostellar environments is not yet…
Dust grains influence many aspects of star formation, including planet formation, opacities for radiative transfer, chemistry, and the magnetic field via Ohmic, Hall, and ambipolar diffusion. The size distribution of the dust grains is the…
Motivated by a question about the sensitivity of knots' diffusive motion to the actual sequence of nucleotides placed on a given DNA, here we study a simple model of a sequence-reading diffusion on a stretched chain with a frozen sequence…
We utilized synchrotron-based in-situ diffraction and dominant shear deformation to identify, dissect, and quantify the relevant deformation mechanisms in nanocrystalline $\mathrm{Pd}_{90}\mathrm{Au}_{10}$ in the limiting case of grain…
It was recently reported that segregation of Zr to grain boundaries (GB) in nanocrystalline Cu can lead to the formation of disordered intergranular films [1,2]. In this study we employ atomistic computer simulations to study how the…
We develop an encounter-based approach for describing restricted diffusion with a gradient drift towards a partially reactive boundary. For this purpose, we introduce an extension of the Dirichlet-to-Neumann operator and use its eigenbasis…
Grain boundaries play a critical role in applications of superconducting Nb$_3$Sn: in dc applications, grain boundaries preserve the material's inherently high critical current density by pinning flux, while in ac applications grain…
The combined strengthening effects of grain refinement and high precipitated volume fraction (~6at.%) on the mechanical properties of FeSiTi alloy subjected to SPD processing prior to aging treatment were investigated by atom probe…
Grain boundary (GB) diffusion in polycrystalline materials is a physical phenomenon of great fundamental interest and practical significance. Although the accelerated ("short circuit") atomic transport along GBs has been known for decades,…