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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Advances in Modeling Capabilities for Critical Mineral Separation Technologies: A PrOMMiS Overview

This is an oral presentation at the TechConnect conference on the work developed by PrOMMiS. PrOMMiS builds on and extends capabilities developed within the Department of Energy’s (DOE) Institute for the Design of Advanced Energy Systems (IDAES), Integrated Platform, and Water Treatment Technoeconomic Assessment Platform (WaterTAP), which have been successfully leveraged by other Department of Energy research areas. The open-source toolkit facilitates validation, reproducibility, and accountability, allowing for easy extension of the framework to other systems. This talk presents an overview of the PrOMMiS capabilities, including unit model library, advances in thermophysical properties models, and capital cost libraries for simulation and optimization of mineral processing technologies. The PrOMMiS applications include (1) conceptual design and superstructure optimization for screening different process configurations and identifying promising technologies; (2) dynamic modeling and optimization to enable the creation of digital twins; (3) surrogate modeling tools to leverage data when predictive thermodynamic models are not currently available; (4) technical risk reduction via uncertainty quantification and robust optimization to identify process designs that are robust to process variability and uncertainties; and (5) deployment of uncertainty quantification tools to maximize knowledge gained from experimental campaigns, while reducing the number of experiments required

critical minerals and materials↗
DOE OSTI2024

Optimization of Solid Oxide Electrolysis Cell Systems Accounting for Long-Term Performance and Health Degradation

This study focuses on optimizing solid oxide electrolysis cell (SOEC) systems for efficient and durable long-term hydrogen (H2) production. While the elevated operating temperatures of SOECs offer advantages in terms of efficiency, they also lead to chemical degradation, which shortens cell lifespan. To address this challenge, dynamic degradation models are coupled with a steady-state, two-dimensional, non-isothermal SOEC model and steady-state auxiliary balance of plant equipment models, within the IDAES modeling and optimization framework. A quasi-steady state approach is presented to reduce model size and computational complexity. Long-term dynamic simulations at constant H2 production rate illustrate the thermal effects of chemical degradation. Dynamic optimization is used to minimize the lifetime cost of H2 production, accounting for SOEC replacement, operating, and energy expenses. Several optimized operating profiles are compared by calculating the Levelized Cost of Hydrogen (LCOH).

Giridhar, Nishant↗
DOE OSTI2024

WaterTAP 1.0 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

AS↗
DOE OSTI2025

Impurity Powder Injection Experiments in the Large Helical Device

The Impurity Powder Dropper (IPD) is a device capable of injecting controlled amounts of sub-millimetre powder into the plasma under the action of gravity. In 2019 the IPD was first installed on the Large Helical Device (LHD) in Japan, with the aim of improving the plasma performances through real time boronization and assessing the compatibility of this technique with steady state operation. Extensive series of experiments have been performed using the IPD, focused on the improvement of the plasma performance via low-Z powder injection and the understanding of the underlying physical phenomena. In this article, we review the experiments that took place in the period 2019-2024. The main results include the demonstration of the improvement of the wall conditions (reduction of intrinsic impurity content, wall recycling) both on a shot-to-shot basis and in real time. Furthermore, a reduced-turbulence improved confinement regime has been observed coincident with powder injection, resulting in an increase of the plasma temperature of the order of 25%, with enhancements that can reach up to 50% for ion temperature.

Nespoli, F. [Princeton Plasma Physics Laboratory (↗
DOE OSTI2026

Progress in Extending the High-Temperature Plasma Regime in the LHD

In this paper, we show the expansion of the high-temperature regime and related physical phenomena in the Large Helical Device (LHD). At the LHD, we have developed a high-temperature operational regime for both ion (T i ) and electron (T e ) temperatures through understanding the physical characteristics of high-temperature plasma, the enhancement of plasma heating, and the development of technical methods such as wall recycling control and impurity control. In particular, the formation of the ion internal transport barrier (i-ITB) and electron internal transport barrier (e-ITB) in the plasma core region is the key to improving plasma performance. In addition, the deuterium experiment that began in 2017 showed that, due to the isotope effect, the thermal transport of both ions and electrons is suppressed in deuterium plasma compared to light hydrogen plasma, and that a high central temperature can be achieved efficiently. Furthermore, the combination of neutral beam injection (NBI) and electron cyclotron heating (ECH) has extended the operating conditions that simultaneously maintain high T i and T e , and comprehensive research on plasma confinement characteristics with an eye to future fusion reactor conditions has progressed.

Large Helical Device↗
DOE OSTI2026

ARC disruption physics and strategy

Commonwealth Fusion Systems (CFS) plans to operate a tokamak power plant called ARC in the early 2030s. Tokamak plasmas have stability limits that, if crossed, lead to a rapid termination of the plasma, referred to as a disruption. Disruptions pose a melt risk to the first wall resulting from thermal and non-thermal particle heat fluxes, and an electromagnetic loading risk on all metal components within the equilibrium coils. A comprehensive set of models is used herein to provide an assessment of both mitigated and unmitigated ARC disruption loads. A preliminary massive gas injection system is baselined and a runaway electron mitigation coil option is proposed to close possible gaps in the baseline. It is predicted that all ARC disruption loads are within a factor of 2 of the disruption loads in SPARC, a tokamak presently under construction by CFS, and therefore SPARC provides an opportunity to calibrate models, test solutions and inform the design of ARC. The goal for ARC is disruption-free operation, however, the pragmatic design target is to withstand one mitigated disruption per day, and to restart the plasma following mitigation in tens of seconds without interrupting the power output. Unmitigated disruptions must be rare, and experience with unmitigated disruption impacts in SPARC will better define what rare means. The implications of this strategy for plasma disruptivity and disruption prediction are discussed, and operating the ARC scenario on SPARC is expected to refine the ARC final design and operational plan.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Quantifying Outer- and Inner-Coordination Sphere Effects Using Uranium Redox Chemistry in Molten Salt Solutions

Defining the relative influence of intramolecular and intermolecular forces is a fundamental problem in chemistry that is difficult to quantify. To address this challenge, we developed a method to evaluate the relative impact of direct chemical bonding in the inner-coordination sphere vs effects from cations in the outer-coordination sphere by comparative analysis of uranium redox reactivity in various molten salts. We observed that outer-coordination sphere cations (M 1+ ) and inner-coordination sphere anions (X 1– ) both affected uranium redox reactivity, with more polarizing M 1+ and larger X 1– favoring uranium in low oxidation states. Changing M 1+ (Li, Na, K) shifted the U IV + e 1– ⇌ U III (U IV/III ) and U III + 3e 1– → U 0 metal potentials by +330 and +240 mV, respectively. Changing X 1– (Cl, Br, I) caused larger shifts of +440 mV for the U IV/III redox potential and +1060 mV for the U 0 metal deposition potential. Using Coulomb’s Law, we correlated these potentials with electrostatic interactions between UIII and the molten salt. This model provided a facile way of predicting redox chemistry within molten salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Insights for controlling plutonium behavior in hydrochloric acid solutions

Cyclic voltammetry, UV-vis, and X-ray absorption spectroscopy were used to demonstrate that aqueous plutonium coordination chemistry and electron transfer reactivity can be controlled by judicious manipulation of hydrochloric acid concentrations.

Wang, Yufei [Los Alamos National Laboratory, Los A↗
DOE OSTI2025

Operando APXPS for direct probing of Li ion battery LCO electrode/electrolyte interface chemistry during lithiation/delithiation

The real-time interface chemistry between the lithium cobalt oxide (LCO) working electrode and the LiClO 4 /propylene carbonate (PC) electrolyte is investigated during lithiation/delithiation using dip-and-pull ambient pressure photoelectron spectroscopy (APXPS). The APXPS results appear to exhibit the seldom discussed Co 2+ state in the LCO structure, where the operando measurements indicate electron transfer among Co 2+ , Co 3+ , and Co 4+ states. Specifically, the lithiation of LCO reduces the Co 4+ state to both Co 3+ and Co 2+ states, where, as a function of voltage, reduction to the Co 2+ state is initially more pronounced followed by Co 3+ formation. In addition, a delay in surface delithiation is observed during the reverse potential steps. This is discussed in terms of overpotential at the interface measurement position as a consequence of the dip-and-pull setup for this experiment. Finally, the shifts in the apparent binding energies of the spectral features corresponding to the electrolyte and LCO at their interface show that the electrochemical potentials at delithiation voltage steps are different from the lithiation steps at the same applied voltages. This further explains the non-responsive delithiation. The BE shift observed from the LCO surface is argued to be dominantly due to the semi-conductive nature of the sample. Overall, this article shows the importance of operando APXPS for probing non-equilibrium states in battery electrodes for understanding electron transfer in the reactions.

Liu, Qianhui [Uppsala Univ. (Sweden)] (ORCID:00000↗
DOE OSTI2024

MHD stability trends and improved performance of LHD inward-shifted configurations: The role of the neutral beam current drive and thermal plasma density

The aim of the present study is to analyze the effect of the neutral beam current drive (NBCD), thermal plasma density, and NBI operational regime on the stability of pressure gradient-driven modes (PGDM) and Alfvén eigenmodes (AE) in LHD inward-shifted configurations. The stabilization of n/m = 1/2 PGDM (n toroidal mode and m poloidal mode) is observed in the discharge 167 800 during the co-NBCD phase. The iota profile evolution measured by motional stark effect diagnostic may indicate the iota profile up-shift caused by the co-NBCD can induce a non-resonant transition of the rational surface 1/2 before the mode stabilization. The evolution of the iota profile and continuum gaps in the discharge 167 805 during the ctr-NBCD phase leads to the stabilization of the AE, caused by the narrowing of the continuum gap as the iota profile down-shift. Opposite stability trends are identified for PGDM and AE stability with respect to the thermal plasma density. A larger thermal plasma density (larger thermal β) further enhances PGDM although the continuum gaps are narrower leading to configurations with stable AEs. The linear stability of AEs is analyzed using the gyro-fluid FAR3d code to reproduce the AE stability trends observed in the experiments with respect to the NBCD and thermal plasma density. The analysis of hypothetical scenarios dedicated to study different NBI operational regimes with respect to EP energy, and β and radial density profiles indicate off-axis NBI operation shows a higher EP β threshold to destabilize AEs compared to on-axis configuration. This is explained by the presence of a TAE gap in the inner plasma region, easily destabilized by an on-axis NBI injection. The control of the NBCD and thermal plasma in the discharge 167 800 shows a transitory stabilization of PGDM and AEs, as well as an improved discharge performance identified by an increment of the neutron fluxes.

Varela, Jacobo↗
DOE OSTI2024

Visible core spectroscopy at Wendelstein 7-X

This paper presents an overview of recent hardware extensions and data analysis developments to the Wendelstein 7-X visible core spectroscopy systems. These include upgrades to prepare the in-vessel components for long-pulse operation, nine additional spectrometers, a new line of sight array for passive spectroscopy, and a coherence imaging charge exchange spectroscopy diagnostic. Progress in data analysis includes ion temperatures and densities from multiple impurity species, a statistical comparison with x-ray crystal spectrometer measurements, neutral density measurements from thermal passive Balmer-alpha emission, and a Bayesian analysis of active hydrogen emission, which is able to infer electron density and main ion temperature profiles.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Electronic mobility, doping, and defects in epitaxial BaZrS 3 chalcogenide perovskite thin films

We present the electronic transport properties of BaZrS 3 thin films grown epitaxially by gas-source molecular beam epitaxy. We observe n-type behavior in all samples, with carrier concentration ranging from 4 × 10 18 to 4 × 10 20 cm −3 at room temperature (RT). We observe a champion RT Hall mobility of 11.1 cm 2 V −1 s −1 , which is competitive with established thin-film photovoltaic absorbers. Temperature-dependent Hall mobility data show that phonon scattering dominates at room temperature, in agreement with computational predictions. X-ray diffraction data illustrate a correlation between mobility and antiphase boundary concentration, illustrating how microstructure can affect transport. Despite the well-established environmental stability of chalcogenide perovskites, we observe significant changes to electronic properties as a function of storage time in ambient conditions. With the help of secondary ion mass spectrometry measurements, we propose and support a defect mechanism that explains this behavior: as-grown films have a high concentration of sulfur vacancies that are shallow donors (V ⋅ S or V ⋅⋅ S ), which are converted into neutral oxygen defects (O$^{×}_{S}$) upon air exposure. We discuss the relevance of this defect mechanism within the larger context of chalcogenide perovskite research, and we identify means to stabilize the electronic properties.

Van Sambeek, Jack [Massachusetts Institute of Tech↗
DOE OSTI2026

Enhancement of mid-/high-Z impurity transport by continuous Li-granule dropping in a stellarator plasma

An enhancement of core impurity transport is observed in high-density plasmas of the stellarator large helical device, heated by neutral beam injection, when continuous lithium (Li) granule dropping is performed. In the reported experiments, in which the tracer-encapsulated solid pellet is employed to inject trace amounts of titanium (Ti) and molybdenum (Mo) into the plasma core, confinement times for these impurities are seen to reduce significantly when Li dropping is applied, this reduction being more notable for Mo. To gain some initial insight into these observations, simulations are performed using the drift-kinetic transport code SFINCS for the Mo case. These simulations indicate that, while neoclassical transport prevails for the main plasma components (electrons, majority ions, and low-Z impurities), the classical contribution appears dominant for transporting Mo impurities. In summary, this work reports the first experimental observation of the degradation of mid-Z and high-Z impurity confinement induced by the continuous dropping of Li granules into a high-density stellarator plasma. In the case of the Mo impurity, simulations suggest that classical transport is the key mechanism underlying the enhanced impurity transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Overview of Large Helical Device experiments of basic plasma physics for solving crucial issues in reaching burning plasma conditions

Recently, experiments on basic plasma physics issues for solving future problems in fusion energy have been performed on a Large Helical Device. There are several problems to be solved in future devices for fusion energy. Emerging issues in burning plasma are: alpha-channeling (ion heating by alpha particles), turbulence and transport in electron dominant heating helium ash exhaust, reduction of the divertor heat load. To solve these problems, understanding the basic plasma physics of (1) wave–particle interaction through (inverse) Landau damping, (2) characteristics of electron-scale (high-k) turbulence, (3) ion mixing and the isotope effect, and (4) turbulence spreading and detachment, is necessary. This overview discusses the experimental studies on these issues and turbulent transport in multi-ion plasma and other issues in the appendix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗