Statistical theory of electronic degrees of freedom in wave packet molecular dynamics
Physical Review E American Physical Society (APS) 114:1 (2026) 15219
Abstract:
<jats:p>We derive statistical distributions for the degrees of freedom in wave packet molecular dynamics models. Specifically, a theory is developed for the width distributions of Gaussian wave packets in both isotropic and anisotropic formulations. The resulting distribution functions show good agreement with molecular dynamics data under warm dense matter conditions, providing practical guidance for constraining the confining potential, an empirical parameter in the model. We also discuss how these distributions influence the resulting effective Coulomb interactions.</jats:p>Ultrafast temperature diagnosis of dynamically compressed matter using millielectronvolt inelastic x-ray scattering beyond the first Brillouin zone
Journal of Applied Physics AIP Publishing 140:3 (2026) 35903
Abstract:
<jats:p>We present calculations of the millielectronvolt-scale x-ray scattering spectra of multilayered dynamic-compression targets comprising an unstructured ablator layer and a crystalline, textured sample layer. Our model builds on the classic formulation of x-ray thermal diffuse scattering by Warren [Acta Crystallogr. 6, 803 (1953)] and includes both elastic and first-order (single-phonon) inelastic scattering contributions to the dynamic structure factor S(q, 蠅). We focus on the umklapp scattering regime (i.e., at momentum transfers outside the first Brillouin zone) where the ablator scattering that threatens to overwhelm the inelastic scattering from the crystalline layer of interest is suppressed. We show that, despite the considerably more complex structure of the inelastic scattering spectra in this intermediate-q regime, it is still possible to reliably deduce the temperature of the crystal using Dornheim鈥檚 Laplace-transform鈥揵ased formalism [Dornheim et al., Phys.鈥塒lasmas 30, 042707 (2023)], regardless of the details of the sample鈥檚 texture.</jats:p>Roadmap for warm dense matter physics
Plasma Physics and Controlled Fusion 68:7 (2026)
Abstract:
This roadmap presents the state-of-the-art, current challenges and near future developments anticipated in the thriving field of warm dense matter (WDM) physics. Originating from strongly coupled plasma physics, high pressure physics and high energy density science, the WDM physics community has recently taken a giant leap forward. This is due to spectacular developments in laser technology, diagnostic capabilities, and computer simulation techniques. Only in the last decade has it become possible to perform accurate enough simulations & experiments to truly verify theoretical results as well as to reliably design experiments based on predictions. Consequently, this roadmap discusses recent developments of and contemporary challenges for theoretical methods and experimental techniques needed to describe, create and diagnose WDM. A large part of this roadmap is dedicated to specific WDM systems and applications in astrophysics, inertial confinement fusion and novel material synthesis.Structural evolution of iron oxides melts at Earth鈥檚 outer-core pressures
Nature Communications Springer Nature (2026)
Abstract:
Oxygen and other light elements comprise up to 5 wt% of the Earth鈥檚 outer-core, and may significantly influence its physical properties and the operation of the geodynamo. Here we report in situ X-ray diffraction measurements of Fe, Fe + 4.5 FeO (atomic proportion), and Fe2O3 melts at 177-440 GPa, achieved using laser-driven shock compression at an x-ray free-electron laser. The melts exhibit Fe-O coordination numbers between 4.0(0.4) and 4.5(0.4), indicating predominantly four-fold coordination environments. These coordination states are significantly smaller than those of Fe-bearing lower-mantle phases such as bridgmanite and ferropericlase. Shorter Fe-Fe interatomic distances in compressed iron oxide melts drive the denser packing relative to ambient melts, while the structural differences between Fe + 4.5 FeO and Fe2O3 melts under shock indicate that the oxidation state modulates oxygen solubility in liquid Fe. At 177 GPa (聽~聽380 km below the core-mantle boundary) and 3800 K, Fe2O3 melts exhibit higher Fe-O coordination, suggesting that local variations in oxygen content could contribute to the stratification in the uppermost outer-core inferred from seismological and geomagnetic observations.Long-lasting plasma density structures utilizing tailored density profiles
Matter and Radiation at Extremes AIP Publishing 11:4 (2026) 047201