102 citations · 466 across the 48 of their papers we have counts for
50 papers
Electronic-Entropy-Driven Phase Transitions in Compressed Iron Oxides
S. Azadi, S. M. Vinko, C. Crepisson +3
Electronic entropy is usually treated as a secondary correction to structural stability, but under strong electronic excitation it can become a primary thermodynamic driving force.…
Informing spectral models for dense plasmas with K-edge absorption measurements of warm dense copper
T. Cordova, E. V. Marley, D. A. Chin +14
Warm dense matter remains a challenging regime to characterize experimentally and to model with predictive accuracy. Recent experimental platforms have been developed to generate,…
Overfitting by design: neural network density functionals for water
Karim K. Alaa El-Din, Antonius v. Strachwitz, Ana Coutinho Dutra +1
In density functional theory, simpler exchange-correlation (XC) approximations such as the local density approximation (LDA) are favored for computational speed but rely on limited…
Expander attention as exchange-correlation
Karim K. Alaa El-Din, Antonius v. Strachwitz, Sam M. Vinko
Kohn-Sham density functional theory (DFT) is the workhorse of quantum chemistry, offering an attractive balance between accuracy and computational cost. Although exact in principle…
From Entropy to Compression: Competing Thermodynamic Drivers of Structural Transitions in Transition Metals
S. Azadi, S. M. Vinko, A. Principi +2
Solid-solid phase transitions in metals are traditionally driven by changes in density or external pressure. Here we show that, under strong electronic excitation, structural stabi…
Volume Collapse Without a Structural Transition in Shock-Compressed FeO
C. Crépisson, T. Stevens, M. Fitzgerald +121
We report x-ray diffraction and emission spectroscopy of FeO under laser-driven shock compression between 31-199 GPa. FeO retains the B1 (rocksalt) structure along the Hugoniot to…
Resolution-Independent Machine Learning Heat Flux Closure for ICF Plasmas
M. Luo, A. R. Bell, F. Miniati +2
Accurate modeling of heat flux in inertial confinement fusion plasmas requires closures that remain predictive far from local equilibrium and across disparate spatial and temporal…
Statistical theory of electronic degrees of freedom in wave packet molecular dynamics
Daniel Plummer, Pontus Svensson, Wiktor Jasniak +3
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…
Electronic-Entropy-Driven Solid-Solid Phase Transitions in Elemental Metals
S. Azadi, S. M. Vinko, A. Principi +2
We compute the thermodynamic phase diagram of seventeen elemental metals with hexagonal close-packed (hcp), face-centered cubic (fcc), and body-centered cubic (bcc) crystal structu…
Structural evolution of iron oxides melts at Earth's outer-core pressures
Céline Crépisson, Mila Fitzgerald, Domenic Peake +32
Oxygen and other light elements comprise up to 5 wt% of the Earth's outer-core, and may significantly influence its physical properties and the operation of the geodynamo. Here we…
Modeling partially-ionized dense plasma using wavepacket molecular dynamics
Daniel Plummer, Pontus Svensson, Wiktor Jasniak +3
We develop a wave packet molecular dynamics framework for modeling the structural properties of partially-ionized dense plasmas, based on a chemical model that explicitly includes…
Time-Embedded Convolutional Neural Networks for Modeling Plasma Heat Transport
Mufei Luo, Charles Heaton, Yizhen Wang +5
We introduce a time-embedded convolutional neural network (TCNN) for modeling spatiotemporal heat transport in plasmas, particularly under strongly nonlocal conditions. In our earl…
A Momentum-Resolved X-ray Thomson Scattering Benchmark of Electronic-Response Models in Warm Dense Aluminium
Dmitrii S. Bespalov, Ulf Zastrau, Zhandos A. Moldabekov +58
The robust diagnosis of conditions generated in warm dense matter (WDM) experiments remains a persistent challenge. Here we describe the measurement of shock-compressed aluminium a…
Learning Heat Transport Kernels Using a Nonlocal Heat Transport Theory-Informed Neural Network
Mufei Luo, Charles Heaton, Yizhen Wang +5
We present a data-driven framework for the modeling of nonlocal heat transport in plasmas using a nonlocal theory informed neural network trained on kinetic Particle-in-Cell simula…
Electronic Temperature-Driven Phase Stability and Structural Evolution of Iron at High Pressure
S. Azadi, S. M. Vinko
We present Gibbs free-energy phase diagrams for compressed iron within a pressure range of 20 to 300 GPa and electronic temperature up to 3 eV obtained using finite-temperature den…
Roadmap for warm dense matter physics
Jan Vorberger, Frank Graziani, David Riley +71
This roadmap presents the state-of-the-art, current challenges and near future developments anticipated in the thriving field of warm dense matter physics. Originating from strongl…
Methods for energy dispersive x-ray spectroscopy with photon-counting and deconvolution techniques
Alessandro Forte, Thomas Gawne, Oliver S. Humphries +3
Spectroscopic techniques are essential for studying material properties, but the small cross-sections of some methods may result in low signal-to-noise ratios (SNRs) in the collect…
Modelling of warm dense hydrogen via explicit real time electron dynamics: Electron transport properties
Pontus Svensson, Patrick Hollebon, Daniel Plummer +2
We extract electron transport properties from atomistic simulations of a two-component plasma, by mapping the long-wavelength behaviour to a two-fluid model. The mapping procedure…
Ionisation Calculations using Classical Molecular Dynamics
Daniel Plummer, Pontus Svensson, Dirk O. Gericke +3
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplish…
Shock-driven amorphization and melt in FeO
Céline Crépisson, Alexis Amouretti, Marion Harmand +28
We present measurements on FeO amorphization and melt under laser-driven shock compression up to 209(10) GPa via time-resolved in situ x-ray diffraction. At 122(3) GPa, a d…
A molecular dynamics framework coupled with smoothed particle hydrodynamics for quantum plasma simulations
Thomas Campbell, Pontus Svensson, Brett Larder +3
We present a novel scheme for modelling quantum plasmas in the warm dense matter (WDM) regime via a hybrid smoothed particle hydrodynamic - molecular dynamic treatment, here referr…
Modelling of warm dense hydrogen via explicit real time electron dynamics: Dynamic structure factors
Pontus Svensson, Yusuf Aziz, Tobias Dornheim +5
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, b…
Exploring relaxation dynamics in warm dense plasmas by tailoring non-thermal electron distributions with a free electron laser
Yuanfeng Shi, Shenyuan Ren, Hyun-kyung Chung +2
Knowing the characteristic relaxation time of free electrons in a dense plasma is crucial to our understanding of plasma equilibration and transport. However, experimental investig…
Quantum Monte Carlo study of the phase diagram of the two-dimensional uniform electron liquid
Sam Azadi, N. D. Drummond, S. M. Vinko
We present a study of spin-unpolarized and spin-polarized two-dimensional uniform electron liquids using variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Sl…