Theoretical evidence of H-He demixing under Jupiter and Saturn conditions.

The immiscibility of hydrogen-helium mixture under the temperature and pressure conditions of planetary interiors is crucial for understanding the structures of gas giant planets (e.g., Jupiter and Saturn).

Strength of bulk aluminum-boron alloys containing helium produced by B(n,α)Li reaction in nuclear reactor.

The study of metals and alloys containing helium has garnered significant attention within the nuclear energy community. However, there is limited research on the mechanical behavior of bulk alloys implanted with helium. This study investigates the mechanical properties of several Al-Boron alloys implanted with helium using controlled manipulation of helium doses via boron content under a consistent neutron dose.

Microstructure evolution under thermo-mechanical operating of rocksalt-structure TiN via neural network potential.

In the process of high temperature service, the mechanical properties of cutting tools decrease sharply due to the peeling of the protective coating. However, the mechanism of such coating failure remains obscure due to the complicated interaction between atomic structure, temperature, and stress. This dynamic evolution nature demands both large system sizes and accurate description on the atomic scale, raising challenges for existing atomic scale calculation methods.

The thermodynamic-pathway-determined microstructure evolution of copper under shock compression.

Shock-induced structural transformations in copper exhibit notable directional dependence and anisotropy, but the mechanisms that govern the responses of materials with different orientations are not yet well understood. In this study, we employ large-scale non-equilibrium molecular dynamics simulations to investigate the propagation of a shock wave through monocrystal copper and analyse the structural transformation dynamics in detail. Our results indicate that anisotropic structural evolution is determined by the thermodynamic pathway.

First-principles study on high-pressure phases and compression properties of gold-bearing intermetallic compounds.

Compared to elemental gold (Au), Au-based alloys have attracted wide attention for their economy and superior performance stemming from their distinctive physicochemical properties. The study of the structural characterization for alloy materials remains one of the fundamental issues associated with their future applications essentially. In this work, we theoretically explore some typical intermetallic compounds of Au-based alloys under high pressure, which has been an effective means to generate intriguing crystal configurations with unexpected behaviors.

A compact platform for the investigation of material dynamics in quasi-isentropic compression to ~ 19 GPa.

This paper reports on the development of a magnetically driven high-velocity implosion experiment conducted on the CQ-3 facility, a compact pulsed power generator with a load current of 2.1 MA. The current generates a high Lorentz force between inner and outer liners made from 2024 aluminum.

Mesoscale Mechanisms in Viscoplastic Deformation of Metals and Their Applications to Constitutive Models.

Deformation of metals has attracted great interest for a long time. However, the constitutive models for viscoplastic deformation at high strain rates are still under intensive development, and more physical mechanisms are expected to be involved. In this work, we employ the newly-proposed methodology of mesoscience to identify the mechanisms governing the mesoscale complexity of collective dislocations, and then apply them to improving constitutive models.

Atomically informed nonlocal semi-discrete variational Peierls-Nabarro model for planar core dislocations.

Prediction of Peierls stress associated with dislocation glide is of fundamental concern in understanding and designing the plasticity and mechanical properties of crystalline materials. Here, we develop a nonlocal semi-discrete variational Peierls-Nabarro (SVPN) model by incorporating the nonlocal atomic interactions into the semi-discrete variational Peierls framework. The nonlocal kernel is simplified by limiting the nonlocal atomic interaction in the nearest neighbor region, and the nonlocal coefficient is directly computed from the dislocation core structure.

Self-patterning Gd nano-fibers in Mg-Gd alloys.

Manipulating the shape and distribution of strengthening units, e.g. particles, fibers, and precipitates, in a bulk metal, has been a widely applied strategy of tailoring their mechanical properties.