Coordination changes in liquid tin under shock compression determined using <i>in situ</i> femtosecond x-ray diffraction

Briggs, R.J.; Gorman, M. G.; Zhang, Shuai; McGonegle, David; Coleman, Amy L.; Coppari, F.; Morales-Silva, M A; Smith, R. F.; Wicks, J. K.; Bolme, C. A.; Gleason, A. E.; Cunningham, Eric; Lee, H. J.; Nagler, Bob; McMahon, M. I.; Eggert, J. H.; Fratanduono, D. E.

doi:10.1063/1.5127291

Cited by 29 publications

(37 citation statements)

References 31 publications

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“…A gradual increase inn Ga Ga is observed with increasing p with a simple close-packed liquid predicted by ∼15 GPa [34]. A similar evolution from a complex low-coordinated liquid to a simple liquid at high p has been reported recently in shock compressed tin [39]. In this Letter, we report the atomic-scale structure, melting curve, and equation of state of liquid gallium as measured by in situ SXRD up to 26 GPa, representing a > fourfold increase in the p range compared to previous experimental surveys.…”

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confidence: 83%

“…Both form regions of low local entropy, a behavior that contrasts with purely repulsive hard spheres, which are dominated by fivefold symmetry. Previous studies predict the development of hard-sphere like behavior in liquid gallium [34] and tin [39]. However, we find that although the local structure progressively resembles that of hard spheres when approaching the melting curve, the deviation from this simple description is always ≥40% across all p-T space.…”

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confidence: 44%

“…SXRD measurements were made at beam line I15, Diamond Light Source, UK using a Perkin-Elmer 1621 EN flat panel detector and a monochromatic 56 keV x-ray beam collimated by a 20 μm tungsten pinhole to ensure a clean signal from the wholly liquid sample. This offers a significant advantage over laser-heated DAC or shock compression experiments which both suffer from contamination of the liquid signal by diffraction peaks arising from, e.g., thermal insulation media or nonmelted solid [13,39]. Pressure was determined from additional SXRD measurements of the NaCl annulus at each step and the known p-T equation of state of NaCl [52].…”

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confidence: 99%

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Structural Ordering in Liquid Gallium under Extreme Conditions

et al. 2020

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The atomic-scale structure, melting curve, and equation of state of liquid gallium has been measured to high pressure (p) and high temperature (T) up to 26 GPa and 900 K by in situ synchrotron x-ray diffraction. Ab initio molecular dynamics simulations up to 33.4 GPa and 1000 K are in excellent agreement with the experimental measurements, providing detailed insight at the level of pair distribution functions. The results reveal an absence of dimeric bonding in the liquid state and a continuous increase in average coordination numbern Ga Ga from 10.4(2) at 0.1 GPa approaching ∼12 by 25 GPa. Topological cluster analysis of the simulation trajectories finds increasing fractions of fivefold symmetric and crystalline motifs at high p-T. Although the liquid progressively resembles a hard-sphere structure towards the melting curve, the deviation from this simple description remains large (≥40%) across all p-T space, with specific motifs of different geometries strongly correlating with low local two-body excess entropy at high p-T.

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confidence: 44%

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confidence: 99%

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Structural Ordering in Liquid Gallium under Extreme Conditions

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“…Upon further compression, a number of polymorphs with a body-centered and closed-packed lattice are revealed [9][10][11]. The melt line of Sn plateaus above 40 GPa, matching a discontinuous increase in the coordination number of liquid Sn [12,13]. Around 10-30 GPa and up to 1800 K, dynamic shock experiments across the β-Sn to γ -Sn transition have traversed the phase boundary with increases in reflectivity from 5% to 15% [14] and using time-resolved x-ray diffraction [15].…”

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confidence: 98%

Response of the mode Grüneisen parameters with anisotropic compression: A pressure and temperature dependent Raman study of β -Sn

et al. 2020

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The lattice dynamic response of body-centered tetragonal β-Sn (I4 1 /amd) under high-pressure andtemperature conditions is determined using experimental optical vibration modes. Raman scattering is used to map the phase stability region of β-Sn to perform mode Grüneisen analysis, and we demonstrate the necessity of an optical intensity calibration for Raman thermometry. The Grüneisen tensor is evaluated along a set of isotherms to address shortcomings of single-mode Grüneisen parameters with respect to anisotropic deformations of this tetragonal structured soft metal. The changes observed here in the Grüneisen tensor as a function of temperature are related to anharmonicity and denote potential criteria for the onset of premelting.

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“…More recently, significant advances have been made by using the output from so-called 4th generation light sources -these are hard x-ray Free Electron Lasers (FELs) 86 with peak spectral brightnesses more than a billion times greater than those produced by any synchrotron. The use of such sources has led to a plethora of work that uses x-ray diffraction to study materials under shock and dynamic compression 48,[50][51][52][53]55,56,58,60,62,63,87 allowing structure and density to be deduced using x-ray pulses of a duration less than even the shortest phonon period in the system.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics simulations of inelastic x-ray scattering from shocked copper

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McGonegle

et al. 2021

Journal of Applied Physics

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By taking the spatial and temporal Fourier transforms of the coordinates of the atoms in molecular dynamics simulations conducted using an embedded-atom-method potential, we calculate the inelastic scattering of x-rays from copper singlecrystals shocked along [001] to pressures of up to 70 GPa. Above the Hugoniot elastic limit (HEL), we find that the copious stacking faults generated at the shock front introduce strong quasi-elastic scattering (QES) that competes with the inelastic scattering signal, which remains discernible within the first Brillouin zone; for specific directions in reciprocal space outside the first zone, the QES dominates the inelastic signal overwhelmingly. The synthetic scattering spectra we generate from our Fourier transforms suggest that energy resolutions of order 10 meV would be required to distinguish inelastic from quasi-elastic scattering within the first Brillouin zone of shock-loaded copper. We further note that high-resolution inelastic scattering also affords the possibility of directly measuring particle velocities via the Doppler shift. These simulations are of relevance to future planned inelastic scattering experiments at x-ray Free Electron Laser (FEL) facilities.

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Coordination changes in liquid tin under shock compression determined using in situ femtosecond x-ray diffraction

Cited by 29 publications

References 31 publications

Structural Ordering in Liquid Gallium under Extreme Conditions

Structural Ordering in Liquid Gallium under Extreme Conditions

Response of the mode Grüneisen parameters with anisotropic compression: A pressure and temperature dependent Raman study of β -Sn

Molecular dynamics simulations of inelastic x-ray scattering from shocked copper

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