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At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quantum Ornstein-Zernike theory for two-temperature two-component plasmas

Laboratory plasma production almost always preferentially heats either the ions or electrons, leading to a two-temperature state. In this state, density functional theory molecular dynamic simulation is the state of the art for modeling bulk material properties. We construct a statistical mechanics model for the two temperature limit that is theoretically consistent with the molecular dynamics method. We proceed to derive the electron-ion multi-temperature quantum Ornstein-Zernike equations for the first time. This allows the construction of a two-temperature two-component plasma model using the average atom from which we can compute bulk material properties at a fraction of the computation time of the two-temperature density functional theory simulation. The accuracy of the model is benchmarked against ion pair correlation and self-diffusion results from ab initio simulation. Here, we proceed to compute the viscosity and ion thermal conductivity as a function of both ion and electron temperature.

Ab initio molecular dynamics↗
DOE OSTI2022

Modeling of deuterium and carbon radiation transport in MAST-U tokamak advanced divertors

Modest effects of deuterium and carbon radiation opacity in the Super-X and snowflake divertor plasmas are predicted for MAST Upgrade tokamak with core plasma input power 2.5–5 MW and plasma current 1 MA. The radiation transport modeling is based on the SOLPS-EIRENE and UEDGE code divertor plasma predictions. Two radiation transport models are used: one is based on a full radiation transport equation implemented in the radiation transport and collisional-radiative code CRETIN (without feedback on the background plasma), and another is an internal self-consistent UEDGE model with ionization, recombination, and heating rates corrected for Ly α line trapping based on the escape probability model implemented in CRETIN. In MAST-U, the Super-X and snowflake divertor plasmas are predicted to reach detached regimes at lower upstream densities than the standard divertor, and the conclusion still holds with radiation transport effects included. At neutral densities m -3 , modest Ly α deuterium line trapping with optical depths 10–15 is predicted in the Super-X divertor. Divertor plasmas are optically thin to other Lyman and Balmer lines, as well as to strong C III and C IV lines that are responsible for most of divertor radiated power. Insignificant changes (within a few percent) to divertor deuterium ionization and recombination rates are found. Radiation fluxes on outer divertor target are modified within a factor of 2–3 when the radiation transport is accounted for, and a similar variation is found due to the line shape models that define the absorption and emission line profiles in the radiation transport modeling. The predicted Lyman and Balmer spectral intensities are significantly modified due to radiation trapping. A measurement of divertor radiation transport effects is discussed using the Ly β /Ba α line ratio. In the snowflake divertor configuration, divertor plasmas are found to be optically thin to Lyman series lines within a large range of parameter variations that include upstream density, divertor transport coefficients, and magnetic configurations. Finally, modest radiation transport effects are only found in a few cases with strongest divertor transport and magnetic configurations closest to the ideal snowflake configuration, however, the plasma background models that were used are yet to be validated with an experiment.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Strong Coulomb coupling influences ion and neutral temperatures in atmospheric pressure plasmas

Molecular dynamics simulations are used to model ion and neutral temperature evolution in partially-ionized atmospheric pressure plasma at different ionization fractions. Results show that ion–ion interactions are strongly coupled at ionization fractions as low as 10 –5 and that the temperature evolution is influenced by effects associated with the strong coupling. Specifically, disorder-induced heating is found to rapidly heat ions on a timescale of the ion plasma period (~10 s ps) after an ionization pulse. This is followed by the collisional relaxation of ions and neutrals, which cools ions and heats neutrals on a longer (~ns) timescale. Slight heating then occurs over a much longer (~100 s ns) timescale due to ion-neutral three-body recombination. An analytic model of the temperature evolution is developed that agrees with the simulation results. Finally, a conclusion is that strong coupling effects are important in atmospheric pressure plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Performance and transport in the ARC tokamak

The ARC TM tokamak, a high-field (𝐵 𝑇 = 11.4 T) fusion power plant, under development by Commonwealth Fusion Systems, is studied using a suite of integrated modelling tools to predict its fusion power generation (𝑃𝑓⁡𝑢⁢𝑠), transport and confinement properties. Analysis is based off an ARC operational point scoped first with zero-dimensional (0-D) plasma operational contour (POPCON) modelling to produce 1.13 GW of fusion power. A suite of integrated modelling tools (TRANSP, ASTRA and TORAX) were applied to predict the performance and kinetic profiles of the ARC design point, yielding a range of predicted performance spanning from ∼900 to 1300 MW in rough quantitative agreement with POPCON predictions. The sensitivity of these results to uncertain modelling inputs was probed using scans of pedestal boundary conditions around EPED-predicted values (total pressure and temperature ratios), tungsten concentration and seperatrix density around their nominal assumptions. Pedestal pressure and pedestal top (𝑇 𝑖 /𝑇 𝑒 ) play a large role in 1.5-dimensional performance predictions, able to modify the predicted 𝑃 𝑓⁡𝑢⁢𝑠 by a factor of 2 within reasonable assumptions. High-fidelity core nonlinear gyrokinetic profile predictions, performed using CGYRO (Candy et al. 2016 J. Comput. Phys., vol. 324, pp. 73–93) coupled with the PORTALS (Rodriguez-Fernandez et al. 2024 Nucl. Fusion, vol. 64, 076034; Phys. Plasmas, vol. 31, 2024, 062501) framework, yield substantially lower performance (𝑃 𝑓⁡𝑢⁢𝑠 =677 MW) compared with 0-D and medium-fidelity modelling for nominal assumptions, showing that there is non-negligible uncertainty between models and that future work on SPARC may help resolve discrepancies. Lower overall performance results from significantly reduced volume-averaged densities and temperatures, along with reduced levels of density and temperature peaking. Turbulence and transport are largely dominated by ion temperature gradient across the profile, confirmed by both linear stability and the response of the nonlinear fluxes to changes in gradients, with some impact of kinetic ballooning modes in the deep core. This work represents one of the most complete scoping of potential fusion power plant conditions performed to date. The extensive integrated modelling provides confidence in ARC performance approaching 1 GW, while nonlinear gyrokinetic modelling results in open questions into the physics of density and temperature peaking in fusion-power-plant-relevant operational space. A discussion of results and the role that the SPARC tokamak (Creely et al. 2020 J. Plasma Phys., vol. 86, 865860502) will play in informing ARC design, performance and operation is presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Generation of reactive species in water film dielectric barrier discharges sustained in argon, helium, air, oxygen and nitrogen

Activation of liquids with atmospheric pressure plasmas is being investigated for environmental and biomedical applications. When activating the liquid using gas plasma produced species (as opposed to plasmas sustained in the liquid), a rate limiting step is transport of these species into the liquid. To first order, the efficiency of activating the liquid is improved by increasing the ratio of the surface area of the water in contact with the plasma compared to its volume—often called the surface-to-volume ratio (SVR). Maximizing the SVR then motivates the plasma treatment of thin films of liquids. In this paper, results are discussed from a computational investigation using a global model of atmospheric pressure plasma treatment of thin water films by a dielectric barrier discharge (DBD) sustained in different gases (Ar, He, air, N 2 , O 2 ). The densities of reactive species in the plasma activated water (PAW) are evaluated. The residence time of the water in contact with the plasma is increased by recirculating the PAW in plasma reactor. Longer lived species such as H 2 O 2aq and NO 3 - aq accumulate over time (aq denotes an aqueous species). DBDs sustained in Ar and He are the most efficient at producing H 2 O 2aq , DBDs sustained in argon produces the largest density of NO 3 - aq with the lowest pH, and discharges sustained in O 2 and air produce the highest densities of O 3aq . Finally, comparisons to experiments by others show agreement in the trends in densities in PAW including O 3aq , OH aq , H 2 O 2aq and NO 3 - aq , and highlight the importance of controlling desolvation of species from the activated water.

42 ENGINEERING↗
DOE OSTI2021

Observation of Hydrodynamic Flows in Imploding Fusion Plasmas on the National Ignition Facility [plus supplemental information]

Inertial confinement fusion implosions designed to have minimal fluid motion at peak compression often show significant linear flows in the laboratory, attributable per simulations to percent-level imbalances in the laser drive illumination symmetry. In this work, we present experimental results which intentionally varied the mode 1 drive imbalance by up to 4% to test hydrodynamic predictions of flows and the resultant imploded core asymmetries and performance, as measured by a combination of DT neutron spectroscopy and high-resolution x-ray core imaging. Neutron yields decrease by up to 50%, and anisotropic neutron Doppler broadening increases by 20%, in agreement with simulations. Furthermore, a tracer jet from the capsule fill-tube perturbation that is entrained by the hot-spot flow confirms the average flow speeds deduced from neutron spectroscopy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Suppression of Midinfrared Plasma Resonance Due to Quantum Confinement in δ-Doped Silicon

The classical Drude model provides an accurate description of the plasma resonance of three-dimensional materials, but only partially explains two-dimensional systems where quantum mechanical effects dominate such as P:δ layers—atomically thin sheets of phosphorus dopants in silicon that induce electronic properties beyond traditional doping. Previously it was shown that P:δ layers produce a distinct Drude tail feature in ellipsometry measurements. However, the ellipsometric spectra could not be properly fit by modeling the δ layer as a discrete layer of classical Drude metal. In particular, even for large broadening corresponding to extremely short relaxation times, a plasma resonance feature was anticipated but not evident in the experimental data. In this work, we develop a physically accurate description of this system, which reveals a general approach to designing thin films with intentionally suppressed plasma resonances. Our model takes into account the strong charge-density confinement and resulting quantum mechanical description of a P:δ layer. Here, we show that the absence of a plasma resonance feature results from a combination of two factors: (i) the sharply varying charge-density profile due to strong confinement in the direction of growth; and (ii) the effective mass and relaxation time anisotropy due to valley degeneracy. The plasma resonance reappears when the atoms composing the δ layer are allowed to diffuse out from the plane of the layer, destroying its well-confined two-dimensional character that is critical to its distinctive electronic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

A Fast and Accurate Reduced-Order Model for High-Intensity Transferred Arc Discharges

Arc discharges are widely used in welding, plasma smelting, and other industrial processes, where variations in operating conditions strongly affect arc stability, temperature distribution, and energy transfer. Accurate modeling of these phenomena typically requires computationally expensive high-fidelity simulations. This study presents a hierarchy of three arc discharge models with progressively reduced physical fidelity. The high-fidelity model provides a fully physics-resolved reference, the reduced-order model reproduces the dominant thermal and flow characteristics of the arc with reasonable accuracy, and the Elenbaas-Heller model captures key trends in a simplified, rapid formulation. This hierarchy demonstrates that reduced-order model can effectively balance predictive fidelity and computational efficiency, providing practical tools for arc simulation and parametric studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Advancing Multiscale Simulation of Plasma-Surface Interfaces

We report the development of an atomistic-informed, surface-state-dependent predictive model for particle exchange in a carbon-tungsten plasma-surface interface. The predictive model uses machine learning (ML) techniques to learn the energy and angular distributions for particle exchange and rate functions for surface state evolution from molecular dynamics simulations of cumulative bombardment of tungsten by energetic carbon ions. Each predictive component is sensitive to the energy and trajectory of incident plasma species and the surface state. The surface state is represented by a set of surface state descriptors, which were derived from the atomistic surface state for each independent carbon bombardment event. These descriptors are representative of the composition and degree of amorphization of the outermost angstrom of surface material and were chosen to optimize predictive performance for particle exchange at the interface. The distributions for particle exchange (reflection/sputtering) are demonstrated to vary with each surface state descriptor, motivating the development of surface-state-dependent particle exchange models for plasma simulations. The performance of various ML methods was compared, including polynomial quantile regression, artificial neural networks, k-nearest neighbors, and random forest algorithms, with polynomial regression performing the best for interpolation and extrapolation of learned relationships. In addition to the particle exchange model, a neutral network was developed and used to identify data sufficiency throughout surface descriptor space, which will enable real-time feedback during future data production to ensure data is produced where it is most needed, and we provide commentary on improvements to the data production workflow for future endeavors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

First implementation of gyrokinetic exact linearized Landau collision operator and comparison with models

Gyrokinetic simulations are fundamental to understanding and predicting turbulent transport in magnetically confined fusion plasmas. Previous simulations have used model collision operators with approximate field-particle terms of unknown accuracy and/or have neglected collisional finite Larmor radius (FLR) effects. We have implemented the linearized Fokker–Planck collision operator with exact field-particle terms and full FLR effects in a gyrokinetic code (GENE). The new operator, referred to as “exact” in this paper, allows the accuracy of model collision operators to be assessed. The conservative Landau form is implemented because its symmetry underlies the conservation laws and the H-theorem, and enables numerical methods to preserve this conservation, independent of resolution. The implementation utilizes the finite-volume method recently employed to discretize the Sugama collision model in GENE, allowing direct comparison between the two operators. Results show that the Sugama model appears accurate for the growth rates of trapped electron modes (TEMs) driven only by density gradients, but appreciably underestimates the growth rates as the collisionality and electron temperature gradient increase. The TEM turbulent fluxes near the nonlinear threshold using the exact operator are similar to the Sugama model for the n e = d ln T e /d ln n e = 0 case, but substantially larger than the Sugama model for the n e = 1 case. The FLR effects reduce the growth rates increasingly with wavenumber deepening a “valley” at the intermediate binormal wavenumber as the unstable mode extends from the TEM regime to the electron temperature gradient instability regime. Application to the Hinton–Rosenbluth problem shows that zonal flows decay faster as the radial wavenumber increases and the exact operator yields weaker decay rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗