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Solid-state material at high pressure is prevalent throughout the Universe, and an understanding of the structure of matter under such extreme conditions, gleaned from x-ray diffraction, has been pursued for the best part of a century. The highest pressures that can be reached to date (2 TPa) in combination with x-ray diffraction diagnosis have been achieved by dynamic compression via laser ablation [A. Lazicki et al., Nature 589, 532–535 (2021)]. The past decade has witnessed remarkable advances in x-ray technologies, with novel x-ray Free-Electron-Lasers (FELs) affording the capacity to produce high quality single-shot diffraction data on timescales below 100 fs. We provide a brief history of the field of dynamic compression, spanning from when the x-ray sources were almost always laser-plasma based, to the current state-of-the art diffraction capabilities provided by FELs. We give an overview of the physics of dynamic compression, diagnostic techniques, and the importance of understanding how the rate of compression influences the final temperatures reached. We provide illustrative examples of experiments performed on FEL facilities that are starting to give insight into how materials deform at ultrahigh strain rates, their phase diagrams, and the types of states that can be reached. We emphasize that there often appear to be differences in the crystalline phases observed between the use of static and dynamic compression techniques. We give our perspective on both the current state of this rapidly evolving field and some glimpses of how we see it developing in the near-to-medium term. [ABSTRACT FROM AUTHOR]

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 single crystals shocked along [001] to pressures of up to 70 GPa. Above the Hugoniot elastic limit, 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 facilities. [ABSTRACT FROM AUTHOR]

Protein coronas, formed by proteins and nanomaterials, have various applications in the biomedical field. Here, large-scale simulations of protein coronas have been carried out by an efficient mesoscopic coarse-grained method with the BMW-MARTINI force field. The effects of protein concentration, size of silica nanoparticles (SNPs), and ionic strength on the formation of lysozyme-SNP coronas are investigated at the microsecond time scale. Simulations results indicate that (i) an increase in the amount of lysozyme is favorable for the conformation stability of adsorbed lysozyme on SNPs. Moreover, the formation of ringlike and dumbbell-like aggregations of lysozyme can further reduce the conformational loss of lysozyme; (ii) for a smaller SNP, the increase of protein concentration exhibits a greater effect on the adsorption orientation of lysozyme. The dumbbell-like lysozyme aggregation is unfavorable for the stability of lysozyme's adsorption orientation; however, the ringlike lysozyme aggregation can enhance the orientation stability; (iii) the increase of ionic strength can reduce the conformation change of lysozyme and accelerate the aggregation of lysozyme during their adsorption process on SNPs. This work provides some insights into the formation of protein coronas and some valuable guidelines for the development of novel biomolecule-NP conjugates. [ABSTRACT FROM AUTHOR]

Molecular crowding agents can significantly suppress water activity by affecting hydrogen bonds. Here, we performed molecular dynamics simulation to study the effect of temperature and concentration of sulfolane, a crowding agent, on aqueous electrolytes. The mean square displacement, diffusion coefficient, coordination number, number density distribution, and average number of intermolecular hydrogen bonds were calculated and discussed. Due to the molecular crowding, the effect of temperature and sulfolane concentration on the average number of hydrogen bonds between water molecules is very interesting. When the concentration of sulfolane is low, the average number of hydrogen bonds between water molecules decreases monotonically with increasing temperature. However, when the concentration of sulfolane reaches a certain value, the average number of hydrogen bonds between water molecules no longer monotonically decreases but first increases and then decreases. When the concentration of sulfolane continues to increase, the average number of hydrogen bonds between water molecules tended to an abnormal monotonic increase. This work provides a deep study of the molecular crowding at the molecular level under wide ranges of temperature and concentration for designing aqueous electrolytes. [ABSTRACT FROM AUTHOR]

An x-ray Fresnel diffractive radiography platform was designed for use at the National Ignition Facility. It will enable measurements of micron-scale changes in the density gradients across an interface between isochorically heated warm dense matter materials, the evolution of which is driven primarily through thermal conductivity and mutual diffusion. We use 4.75 keV Ti K-shell x-ray emission to heat a 1000 μm diameter plastic cylinder, with a central 30 μm diameter channel filled with liquid D2, up to 8 eV. This leads to a cylindrical implosion of the liquid D2 column, compressing it to ∼2.3 g/cm3. After pressure equilibration, the location of the D2/plastic interface remains steady for several nanoseconds, which enables us to track density gradient changes across the material interface with high precision. For radiography, we use Cu He-α x rays at 8.3 keV. Using a slit aperture of only 1 μm width increases the spatial coherence of the source, giving rise to significant diffraction features in the radiography signal, in addition to the refraction enhancement, which further increases its sensitivity to density scale length changes at the D2/plastic interface. [ABSTRACT FROM AUTHOR]

An innovative tangential-view soft x-ray (SXR) tomographic imaging measurement was developed on the TS-6 spherical tokamak merging device as a key diagnostic for investigating the mechanism of electron acceleration. In order to measure SXR with different energy ranges, two micro-channel plates (MCPs) are, respectively, installed in two vacuum chambers, which are equipped with different filters. Especially designed lenses and fiber bundles serve as an optical system to transfer images from phosphor plates of MCPs to a high speed imaging system. This design also enables us to simultaneously measure two images appearing on phosphor plates of MCPs by just one high speed imaging system. The temporal and spatial resolution of this diagnostic can be up to 5 µs and 4 mm, respectively, at present. The tomographic method based on the Phillips–Tikhonov regularization is employed to reconstruct line-integrated images into the local emissivity of SXR, which reflects the spatial distribution of high-energy electrons. Owing to this diagnostic, we successfully measured SXR emitted from the downstream region of magnetic reconnection in TS-6 merging experiments for the first time. The energy range of SXR turned out to be higher than 100 eV but lower than 400 eV. [ABSTRACT FROM AUTHOR]