On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass

Entropy production in quasi-isentropic compression (QIC) is critically important for understanding the properties of materials under extremeconditions. However, the origin and accurate quantification of entropy in this situation remain long-standing challenges. In this work, a framework is established for the quantification of entropy production and partition, and their relation to microstructural change in QIC. Cu50Zr50is taken as a model material, and its compression is simulated by molecular dynamics. On the basis of atomistic simulation-informed physicalproperties and free energy, the thermodynamic path is recovered, and the entropy production and its relation to microstructural change aresuccessfully quantified by the proposed framework. Contrary to intuition, entropy production during QIC of metallic glasses is relativelyinsensitive to the strain rate ˙γ when ˙γ ranges from 7.5 × 10^(8) to 2 × 10^(9)/s, which are values reachable in QIC experiments, with a magnitudeof the order of 10^(−2)kB/atom per GPa. However, when ˙γ is extremely high (>2 × 10^(9)/s), a notable increase in entropy production rate with˙γ is observed. The Taylor–Quinney factor is found to vary with strain but not with strain rate in the simulated regime. It is demonstrated thatentropy production is dominated by the configurational part, compared with the vibrational part. In the rate-insensitive regime, the increase inconfigurational entropy exhibits a linear relation to the Shannon-entropic quantification of microstructural change, and a stretched exponential relation to the Taylor–Quinney factor. The quantification of entropy is expected to provide thermodynamic insights into the fundamentalrelation between microstructure evolution and plastic dissipation.

Large-Eddy Simulation of the Three-Dimensional Experiment on Richtmyer-Meshkov Instability Induced Turbulence

A program MVFT3D of large-eddy simulation is developed and performed to solve the multi compressible Navier- Stokes equations. The SGS dissipation and molecular viscosity dissipation have been analyzed, and the former is much larger than the later. Our test shows that the SGS dissipation of Vreman model is smaller than the Smagorinsky model. We mainly simulate the experiment of fluid instability of shock-accelerated interface by Poggi in this paper. The decay of the turbulent kinetic energy before the first reflected shock wave–mixing zone interaction and its strong enhancement by re-shocks are presented in our numerical simulations. The computational mixing zone width under double re-shock agreement well with the experiment, and the decaying law of the turbulent kinetic energy is consistent with Mohamed and Larue’s investigation. Also, by using MVFT3D we give some simulation results of the inverse Chevron model from AWE. The numerical simulations presented in this paper allow us to characterize and better understand the Richtmyer-Meshkov instability induced turbulence, and the code MVFT3D is validated.

Numerical Investigation of Bismuth Unloading Solidification with Abnormal Melting Characteristic

We present the processes and results of a numerical investigation of the bismuth unloading solidification by a graded density impactor, and demonstrate that the physical process may be realized due to bismuth abnormal melting characteristics. A more reasonable high-pressure solid equation of state of the fifth phase bismuth is introduced in our calculation and one type of graded density impactor made of 15 compositions of Mg-Cu material system is given in this paper. We detailedly investigate one possible proposed approach to achieve the unloading solidification physical process, and our numerical analysis on the thermodynamic state, the unloading path and the phase transformations.