Shock-induced volume-collapse phase transition in a Ce-La alloy dynamically compressed up to 20 GPa

Gu, Yun-Jun; Zhao, Kai; Liu, Hao; Li, Guo-Jun; Wang, Zhao-Qi; Chen, Qi-Feng

doi:10.1103/physrevb.108.144105

Cited by 3 publications

(5 citation statements)

References 60 publications

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“…The simulation results agree with experiments, and show that the isostructural PT was only activated for tests with piston velocity equal to 0.263 and 0.319 km/s (i.e. the shot.5 and 6 in experiments [47]). The agreement between simulations of elemental Ce and experiments of Ce-5wt.%La alloy might indicate that the La alloying does not change the electronic structure of Ce significantly.…”

Section: Density Profilesupporting

confidence: 78%

“…Although the PT behavior can be qualitatively recovered by atomistic simulations, the difference of shock wave velocity (see Fig. 6 in following section) between present MD results and our recent experiments of Ce-5wt.%La alloy [47] still indicates that the La alloying would affect the γ→α PT in thermodynamic space. γ→α PT was recovered again for the tests of Sam-SC-#2 sample with piston velocity equal to 0.263 and 0.319 km/s (see Supplementary information).…”

Section: Density Profilecontrasting

confidence: 62%

“…Fig. 5 exhibits density profiles of all 7 shots reported in our recent paper [47], and corresponding atomic configurations at t = 70 ps. The simulation results agree with experiments, and show that the isostructural PT was only activated for tests with piston velocity equal to 0.263 and 0.319 km/s (i.e.…”

Section: Density Profilementioning

confidence: 94%

“…Fig. 3 shows the density profile of Ce loaded with various particle velocities corresponding to recent experiments of Ce-5wt.%La alloy [47]. As argued by Wang et al [48], the La alloying should not change the electronic structure and lattice dynamics of Ce matrix significantly, due to the reasons that: 1) without f electron occupancy, La acts only as non-magnetic ion, which could tune the concentration of localized f electron of Ce; 2) La alloying could still maintain the fcc structure of Ce matrix.…”

Section: Density Profilementioning

confidence: 99%

“…Initially, we calibrated the EAM potential [28] by comparing the simulation results to previous experiments [3] of elemental Ce and our recent shock wave experiments of Ce-5wt.%La alloy [47]. Fig.…”

Section: Density Profilementioning

confidence: 99%

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Revisiting the effect of shear stress on the γ→α phase transition of cerium under shock loading

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Section: Density Profilesupporting

confidence: 78%

Section: Density Profilecontrasting

confidence: 62%

Section: Density Profilementioning

confidence: 94%

Section: Density Profilementioning

confidence: 99%

Section: Density Profilementioning

confidence: 99%

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Revisiting the effect of shear stress on the γ→α phase transition of cerium under shock loading

Zhao

Fan

et al. 2023

Mechanics of Materials

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Theoretical and Molecular Dynamics Simulation Approaches to Praseodymium Content Effect on Radiation Shielding and Time Dependent Volume‐Collapse for a Newly Produced Borate Glass

Aygün,

Celik

et al. 2024

Advcd Theory and Sims

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Gamma‐ray, fast neutron and charged particle shielding characteristics of Praseodymium (Pr3+) activated glasses with composition 10ZnF2‐(10‐x)SrO‐15Li2O‐65H3BO3‐xPr2O3(where x = 0.1, 0.5, 1.0, 1.5, and 2.0) are investigated. For this, the radiation shielding parameters are estimated by using Photon Shielding and Dosimetry (Phy‐X/PSD), Interaction of Proton, Alpha, Gamma rays, Electrons, and X‐rays with matter (PAGEX), Stopping Powers and Ranges for Electrons (ESTAR), and The Stopping and Range of Ions in Matter (SRIM) codes. Furthermore, the results are compared comprehensively and comparatively. The glasses with increasing Pr3+ content exhibited higher shielding potential. It can be said that the ZFLHBPr2.0 sample could be used as a shielding material in various applied fields. Additionally, the effect of Pr composition on structural transitions and time‐dependent volume‐collapse of this new family of borate glass doped with Pr is analyzed by molecular dynamics study (MD) based density functional tight binding method. The simulation results show that the addition of Pr led to the cubic‐orthorhombic transformation of simulation cell at determined temperature and 1 atm pressure. Also, a sudden decrease in volume are observed within a short time at 8% Pr composition (x = 2.0) atmospheric pressure. This result provides a strong connection between Pr composition and volume change with time and at constant low pressure.

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Effects of Particle Migration on the Relaxation of Shock Wave Collisions

Li,

Xu,

Yan

et al. 2024

Entropy

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The non-equilibrium characteristics during the shock relaxation process hold a foundational position in various fields. In contrast to the propagation of a single shock wave, the collision process of two shock waves exhibits distinct non-equilibrium features. Employing non-equilibrium molecular dynamics, we simulated the collision of ultra-strong shock waves in a classical gas system, investigating the relationship between equilibrium relaxation time and shock intensity. Tracking the spatial migration of microscopic particles in the shock collision region during the relaxation process, we observed a significant contribution of particle migration to the average energy changes during relaxation. The discussion on particle migration provides a valuable new perspective for understanding the microscopic mechanisms of the relaxation process.

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Shock-induced volume-collapse phase transition in a Ce-La alloy dynamically compressed up to 20 GPa

Cited by 3 publications

References 60 publications

Revisiting the effect of shear stress on the γ→α phase transition of cerium under shock loading

Revisiting the effect of shear stress on the γ→α phase transition of cerium under shock loading

Theoretical and Molecular Dynamics Simulation Approaches to Praseodymium Content Effect on Radiation Shielding and Time Dependent Volume‐Collapse for a Newly Produced Borate Glass

Effects of Particle Migration on the Relaxation of Shock Wave Collisions

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