相关论文: Observing and modeling the sequential pairwise rea…
The mechanical behavior of a Mo-TiC30 vol.% ceramic-metal composite was investigated over a large temperature range (25^{\circ}C to 700^{\circ}C). High-energy X-ray tomography was used to reveal the percolation of the hard titanium carbide…
The finite-temperature phase diagram of the attractive Hubbard model is studied by means of the Dynamical Mean Field Theory. We first consider the normal phase of the model by explicitly frustrating the superconducting ordering. In this…
In conventional Bardeen-Cooper-Schrieffer (BCS) superconductors, electrons with opposite momenta bind into Cooper pairs due to an attractive interaction mediated by phonons in the material. While superconductivity naturally emerges at…
Phase transformations and crystallographic defects are two essential tools to drive innovations in materials. Bulk materials design via tuning chemical compositions has been systematized using phase diagrams. We show here that the same…
Atomistic control of phase boundaries is crucial for optimizing the functional properties of solid-solution ferroelectrics, yet their microstructural mechanisms remain elusive. Here, we harness machine-learning-driven molecular dynamics to…
In order to determine the key parameters that control the resistive switching mechanism in metal-complex oxides interfaces, we have studied the electrical properties of metal / YBa2Cu3O7-d (YBCO) interfaces using metals with different…
Complex organic molecules (COMs) have been widely observed in molecular clouds and protostellar environments. One of the formation mechanisms of COMs is radical reactions on the icy grain surface driven by UV irradiation. While many…
The phenomenon of electric breakdown poses serious challenge to the design of devices that operate under high gradient environments. Experimental evidence often points towards breakdown events that are accompanied by elevated temperatures…
We develop a fully-coupled, fully-implicit approach for phase-field modeling of solidification in metals and alloys. Predictive simulation of solidification in pure metals and metal alloys remains a significant challenge in the field of…
A low-power stable tunnel diode oscillator with non-traditional single-layer flat pick-up coil is an excellent MHz-range instrument with which one may study weakly expressed peculiarities of the superconductive (SC) state in tiny plate-like…
A wide range of natural and industrial processes involve heat and mass transport in porous media. In some important cases the transported substance may undergo phase change, e.g. from liquid to solid and vice versa in the case of freezing…
We investigate a lattice of interacting anharmonic oscillators by using a mean field theory and exact diagonalization. We construct an effective five-state hopping model with intersite repulsions as a model for beta-pyrochlore AOs_2O_6(A=K,…
We have simulated the thermodynamics of vortices in a thin film of a type-II superconductor. We make the lowest Landau level approximation, and use quasi-periodic boundary conditions. Our work is consistent with the results of previous…
The recent rise of cryo-EM and X-ray high-throughput techniques is providing a wealth of new structures trapped in different conformations. Understanding how proteins transition between different conformers, and how they relate to each…
The interplay between the quasi 1-dimensional CuO-chains and the 2-dimensional CuO2 planes of YBa2Cu3O6+x (YBCO) has been in focus for a long time. Although the CuO-chains are known to be important as charge reservoirs that enable…
Below the melting temperature $T_m$ crystals are the stable phase of typical elemental or molecular systems. However, cooling down a liquid below $T_m$, crystallization is anything but inevitable. The liquid can be supercooled, eventually…
The simulation of industrial processes involving cold compaction of powders allows for the optimization of the production of both traditional and advanced ceramics. The capabilities of a constitutive model previously proposed by the authors…
We report a study on the thermodynamic stability and structure analysis of the epitaxial BiFeO3 (BFO) thin films grown on YAlO3 (YAO) substrate. First we observe a phase transition of MC-MA-T occurs in thin sample (<60 nm) with an utter…
Conventional phase-field models often drive solid-solid interfaces to coalesce when in close proximity. This feature limits their use for processes like diffusion bonding, where the interfaces might need to remain distinct under certain…
Often a number of precipitation processes in steels and alloys occur simultaneously (they have the same origin in time) albeit at different rates. Consequently, isothermic transformations are accompanied, in this case, by the occurrence of…