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DOE OSTI2025

Numerical simulation of compressible fluid-dynamics in the chamber of inertial fusion energy systems

Here, this paper aims to establish new and innovative modeling capabilities for analyzing chambers in Inertial Fusion Energy (IFE) systems. IFE is emerging as a promising method to achieve fusion power production, but several challenges must be overcome to develop an IFE pilot plant or deploy commercial IFE systems. These challenges are both theoretical and technical, encompassing a deeper understanding of the underlying physical phenomena and the development of new technologies and materials. One of the needs is to develop mathematical models to describe IFE systems and numerical tools to simulate them. This paper contributes to this endeavor by presenting a new OpenFOAM solver for IFE systems, focusing on gas dynamics in their chambers. The analysis and development of chamber designs will play a significant role in the transition from single-shot experiments to high-repetition rates, as there is a need to protect the chamber walls from the intense radiation fields produced by fusion reactions. A promising design option, normally referred to as thick wall chamber design, consists in using lithium or molten salt jet arrays within the chamber. A critical phenomenon is the venting of high-pressure gases from the center to the external part of the chamber, passing through the blanket array. This process involves the propagation and attenuation of strong pressure waves, requiring suitable modeling approaches for compressible fluid-dynamics. The solver proposed in this work implements a multi-material hydrodynamics model tailored to accurately describe the non-linear propagation of pressure waves while avoiding numerical oscillation issues typical of high-velocity compressible simulation. This solver is verified against numerical test cases, validated against experimental data, and applied to the analysis of the High-Yield Lithium-Injection Fusion-Energy (HYLIFE-I) concept. The relevance of this paper is threefold. Firstly, it contributes to developing and testing modeling approaches for compressible fluid-dynamics phenomena, with specific focus on the new and unexplored topic of IFE thick-liquid-wall blanket modeling. Secondly, it marks one of the first applications of the OpenFOAM library in the research field of IFE systems. Finally, the investigated problem is of practical interest for IFE developers, as it provides useful indications about relevant phenomena in pressure wave propagation in the chamber of these systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2007

Advanced NASA Earth Science Mission Concept for Vegetation 3D Structure, Biomass and Disturbance

Carbon in forest canopies represents about 85% of the total carbon in the Earth's aboveground biomass (Olson et al., 1983). A major source of uncertainty in global carbon budgets derives from large errors in the current estimates of these carbon stocks (IPCC, 2001). The magnitudes and distributions of terrestrial carbon storage along with changes in sources and sinks for atmospheric C02 due to land use change remain the most significant uncertainties in Earth's carbon budget. These uncertainties severely limit accurate terrestrial carbon accounting; our ability to evaluate terrestrial carbon management schemes; and the veracity of atmospheric C02 projections in response to further fossil fuel combustion and other human activities. Measurements of vegetation three-dimensional (3D) structural characteristics over the Earth's land surface are needed to estimate biomass and carbon stocks and to quantify biomass recovery following disturbance. These measurements include vegetation height, the vertical profile of canopy elements (i.e., leaves, stems, branches), andlor the volume scattering of canopy elements. They are critical for reducing uncertainties in the global carbon budget. Disturbance by natural phenomena, such as fire or wind, as well as by human activities, such as forest harvest, and subsequent recovery, complicate the quantification of carbon storage and release. The resulting spatial and temporal heterogeneity of terrestrial biomass and carbon in vegetation make it very difficult to estimate terrestrial carbon stocks and quantify their dynamics. Vegetation height profiles and disturbance recovery patterns are also required to assess ecosystem health and characterize habitat. The three-dimensional structure of vegetation provides habitats for many species and is a control on biodiversity. Canopy height and structure influence habitat use and specialization, two fundamental processes that modify species richness and abundance across ecosystems. Accurate and consistent 3D measurements of forest structure at the landscape scale are needed for assessing impacts to animal habitats and biodiversity following disturbance.

Ranson, K. Jon↗

NASA NTRS1986

Development and first flight of a sounding rocket payload to investigate the phenomena of rapidly varying space plasma

NASA Goddard Space Flight Center, Wallops Flight Facility has developed, flown, and recovered a unique plasma physics payload. This sounding rocket payload was developed to measure varying aspects of Alfven's critical velocity effect in a space plasma by using conical-shaped barium explosives. These measurements could possibly duplicate conditions that existed in the early solar system. This paper provides details of the payload and subpayload development, with specific emphasis on the extensive dynamic analysis of the barium release modules. Other key elements which are expanded on in the paper are: (1) design, development, and testing acceptance for the science/inertia booms using a viscous damping system for high spin rate deployment; (2) vehicle dynamic analysis; (3) apogee and impact dispersion analysis to satisfy the science and NASA safety requirements; (4) a comparison of predicted versus actual flight events.

Buchanan, R. P.↗

NASA NTRS1990

Plate motions and deformations from geologic and geodetic data

An analysis of geodetic data in the vicinity of the Crustal Dynamics Program (CDP) site at Vandenberg Air Force Base (VNDN) is presented. The utility of space-geodetic data in the monitoring of transient strains associated with earthquakes in tectonically active areas like California is investigated. Particular interest is in the possibility that space-geodetic methods may be able to provide critical new data on deformations precursory to large seismic events. Although earthquake precursory phenomena are not well understood, the monitoring of small strains in the vicinity of active faults is a promising technique for studying the mechanisms that nucleate large earthquakes and, ultimately, for earthquake prediction. Space-geodetic techniques are now capable of measuring baselines of tens to hundreds of kilometers with a precision of a few parts in 108. Within the next few years, it will be possible to record and analyze large-scale strain variations with this precision continuously in real time. Thus, space-geodetic techniques may become tools for earthquake prediction. In anticipation of this capability, several questions related to the temporal and spatial scales associated with subseismic deformation transients are examined.

Jordan, Thomas H.↗

NASA NTRS1996

Manifestations of Dynamic Strain Aging in Soft-Oriented NiAl Single Crystals

The tensile and compressive properties of six NiAl-base single-crystal alloys have been investigated at temperatures between 77 and 1200 K. The normalized critical resolved shear stresses (CRSS/E) and work-hardening rates (Theta/E) for these alloys generally decreased with increasing temperature. However, anomalous peaks or plateaus for these properties were observed in conventional purity (CPNiAl), Si-doped (NiAl-Si), C-doped low Si (UF-NiAl1), and Mo-doped (NiAl-Mo) alloys at intermediate temperatures (600 to 1000 K). This anomalous behavior was not observed in high-purity, low interstitial material (HP-NiAl). Low or negative strain-rate sensitivities (SRS) also were observed in all six alloys in this intermediate temperature range. Coincident with the occurrence of negative strain-rate sensitivities was the observation of serrated stress-strain curves in the CPNiAl and NiAl-Si alloys. These phenomena have been attributed to dynamic strain aging (DSA). Chemical analysis of the alloys used in this study suggests that the main specie responsible for strain aging in NiAl is C but indicate that residual Si impurities can enhance the strain aging effects. The corresponding dislocation microstructures at low temperatures (300 to 600 K) were composed of well-defined cells. At intermediate temperatures (600 to 900 K), either poorly defined cells or coarse bands of localized slip, reminiscent of the vein structures observed in low-cycle fatigue specimens deformed in the DSA regime, were observed in conventional purity, Si-doped, and in Mo-doped alloys. In contrast, a well-defined cell structure persisted in the low interstitial, high-purity alloy. At elevated temperatures (greater than or equal to 1000 K), more uniformly distributed dislocations and sub-boundaries were observed in all alloys. These observations are consistent with the occurrence of DSA in NiAl single-crystal alloys at intermediate temperatures.

Weaver, M. L.↗

NASA NTRS2020

TPSAS-NF1676L-35628-DND

CHARISMA responds to the Committee on Astrobiology and Planetary Science (CAPS)'s recommendation to study a large/medium-class dedicated space telescope for planetary science. We are nearing the end of the Hubble Space Telescope lifetime, at which point the continuity of solar system UV measurements will be lost. Scientific objectives critically dependent on UV capabilities include studies of exospheric and auroral emissions in planetary atmospheres and plumes. CHARISMA will also revolutionize our understanding of time-dependent phenomena in our solar system currently not supported by programs intended to observe and visit new targets. The time-domain phenomena to be explored by CHARISMA include interaction of planetary magnetospheres with the solar wind, Venus and giant planet atmospheric dynamics, icy satellite geologic activity and surface evolution, cometary evolution, and evolving ring phenomena. CHARISMA also enables a comprehensive survey of the spectral characterization of minor bodies across the solar system, which requires a large time allocation not supported by existing facilities. CHARISMA will examine the benefits of advanced in-Space Assembly (iSA) technologies that enable a 10-m class aperture at New-Frontiers cost. CHARISMA will have the greatest impacts on science objectives particularly sensitive to dynamically evolving phenomena.

C L Young↗

NASA NTRS1987

The coupled dynamics of fluids and spacecraft in low gravity and low gravity fluid measurement

The very large mass fraction of liquids stored on broad current and future generation spacecraft has made critical the technologies of describing the fluid-spacecraft dynamics and measuring or gauging the fluid. Combined efforts in these areas are described, and preliminary results are presented. The coupled dynamics of fluids and spacecraft in low gravity study is characterizing the parametric behavior of fluid-spacecraft systems in which interaction between the fluid and spacecraft dynamics is encountered. Particular emphasis is given to the importance of nonlinear fluid free surface phenomena to the coupled dynamics. An experimental apparatus has been developed for demonstrating a coupled fluid-spacecraft system. In these experiments, slosh force signals are fed back to a model tank actuator through a tunable analog second order integration circuit. In this manner, the tank motion is coupled to the resulting slosh force. Results are being obtained in 1-g and in low-g (on the NASA KC-135) using dynamic systems nondimensionally identical except for the Bond numbers.

Hansman, R. John↗

DOE OSTI2025

New Methods for Predicting Non-Born-Oppenheimer Chemistry

Current methods for modeling non-adiabatic molecular dynamics face fundamental limitations when treating geometric phase effects: quantum mechanical phenomena where nuclear wavepackets acquire phase shifts when encircling conical intersections. Existing approaches either neglect these effects entirely or rely on potential energy surfaces arising from the Born-Oppenheimer approximation, which introduce artificial singularities and can overestimate geometric phase contributions. This project developed a new theoretical framework based on exact factorization (XF) methods to overcome these limitations. We derived mathematical formulations for hybrid quantum-classical XF dynamics that selectively treat critical nuclear degrees of freedom quantum mechanically while propagating others classically. This approach addresses the computational intractability that has previously limited exact methods to toy systems. Key innovations include a new approach to systematically identifying nuclear coordinates requiring quantum treatment, as well as novel implementation strategies that interface with existing quantum chemistry codes. The project also developed a proof-of-concept code for treating Jahn-Teller systems and creation of educational materials on non-adiabatic dynamics geared at the graduate level. The theoretical framework developed will enable future systematically improvable calculations of nuclear quantum effects in realistic molecular systems, filling a critical gap in non-adiabatic dynamics methods. This foundation supports future development of predictive tools for designing energy-relevant photochemical processes where quantum coherence effects may be exploited to control reaction outcomes.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRSDate not supplied

Modeling of Multiscale Solar Dynamics for Understanding Drivers of Space Weather

Understanding the solar dynamics is critical for improving our capabilities to forecast the evolution of space weather conditions. We take advantage of currently available computational capabilities to model solar dynamics from the deep interior to the corona and investigate mechanisms that may drive space weather conditions. The simulations are performed using the 3D radiative MHD code StellarBox. Comparison of synthetic spectroscopic observables obtained from numerical simulations and actual observations allows us to uncover physical processes associated with observed phenomena. To facilitate a transition from modeling short-term physical phenomena to developing a reliable forecast-oriented model, we suggest using the data assimilation approach. It allows us to cross-analyze dynamo model solutions and observations and to consider possible uncertainties and errors. In this presentation, we briefly summarize current multi-scale modeling capabilities and results and discuss ongoing developments to build a reliable physics-based forecast-oriented model of solar activity.

Irina N Kitiashvili↗

NASA NTRSDate not supplied

Modeling of Multiscale Solar Dynamics for Understanding Drivers of Space Weather

Irina N Kitiashvili↗

NASA NTRSDate not supplied

Modeling of Multiscale Solar Dynamics for Understanding Drivers of Space Weather

Irina N. Kitiashvili↗

NASA NTRS1988

Convective effects on directional solidification of a simulated metal alloy

The first significant results of a ground-based experimental program which supports a low gravity space processing Spacelab experiment are reported. The phenomena which precipitate pluming and thus freckling in a metal alloy analog (ammonium chloride and water) are studied in detail and the sequential events leading to massive channeling and convection are optically documented. The pluming is shown to be other than a random burst of unstable fluid from a preferred channel but rather a natural occurrence resulting from a fundamental (Rayleigh-Benard) fluid dynamic instability at the density inversion interface. This extrapolates to critical size parameters appropriate to processing of actual metal alloys.

Mccay, T. D.↗

DOE OSTI2025

Reliable and Efficient Machine Learning (Final Technical Report)

Modern scientific experiments generate massive amounts of data at a pace much faster than humans can manually analyze. While machine learning has revolutionized commercial data analysis (such as recommending movies or recognizing faces), applying these tools to complex scientific discovery is challenging because scientific answers must be precise, interpretable, and adhere to physical laws. The research under this project aims to develop new mathematical tools and computer algorithms specifically designed for scientific applications. Major progress has been made in automatically cleaning and deconstructing messy experimental data, analyzing the visual information of physical phenomena, determining the underlying physical variables, and providing rig orous mathematical analysis of interesting algorithms and concepts widely used in machine learning. This project addressed the critical gap between our ability to generate massive scientific data and our ability to extract interpretable information from it. We established mathematical foundations for Scientific Machine Learning (SciML) aimed at effective data analytics and automated discovery. Our work focused on three core objectives: (1) developing reliable feature extraction methods for dynamic high-dimensional data, (2) establishing mathematical foundations for discovering dynamics via neural networks, and (3) creating rigorous optimization techniques for these models. Key outcomes come from two fronts. On the practical side, they include the development of algorithms that significantly enhance the extraction of signals from field data, as well as the capability to handle situations that exhibit smooth variations or physical stretching due to temperature changes. They also include the creation of an automated framework for discovering fundamental state variables from raw experimental data, demonstrating the ability to identify intrinsic physical dimensions without prior knowledge of the governing laws. On the theoretical front, the research results in theoretical advances in Optimal Transport, a widely used notion in SciML, specifically regarding functions with fixed-size nodal sets, provide sharp bounds relevant to uncertainty quantification. Meanwhile, the outcomes also include the establishment of convergence theories for nonlocal gradient descent methods, enabling robust optimization with noisy data in high-dimensional settings commonly encountered in scientific modeling. The project also helps creating opportunities to train the next generation of researchers, equipping them with the necessary technical skills for today’s workplace and preparing them for future advances.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

An experimental study of characteristic combustion-driven flows for CFD validation

The application of laser-based diagnostic techniques has become commonplace to a wide variety of combustion problems. New insights into combustion phenomena at a level previously unattainable has been made possible by non-intrusive measurements of velocity, temperature, and species. However, due to the adverse conditions which exist inside rocket engines, relatively few studies have addressed these combustion environments. The high pressure, high speed, combusting environment in a rocket engine prohibits the application of several measurement techniques. However, in the rocket community, there is a critical need for rocket flow field data to validate computational fluid dynamic (CFD) codes. Currently at Penn State, there is an effort to obtain flowfield measurements inside a rocket engine. Velocity measurements have been made inside the combustion chamber of a uni-element (shear coaxial injector) optically accessible rocket chamber at several axial locations downstream of the injector. These measurements, combined with future measurements, will provide benchmark data for CFD code validation.

Pal, S.↗

NASA NTRS1985

Space plasma turbulent dissipation - Reality or myth?

A prevalent approach to understanding magnetospheric dynamics is to combine a hydromagnetic description of the large scale magnetic structure and convection flows with a locally determined anomalous dissipation which develops in boundary layers. Three problems (nose and tail reconnection, auroral field-aligned currents, and diffuse auroral precipitation) are critically examined to test the validity of this theoretical philosophy. Although the expected plasma wave turbulence is observed for each case, the concept of local anomalous dissipation fails to provide an adequate or complete description of the phenomenae.

Coroniti, F. V.↗

DOE OSTI2025

Action painting under spectroscopic light: Excited-state exchange interactions behind the vibrant blue in Jackson Pollock’s Number 1A, 1948

Number 1A, 1948 by Jackson Pollock is a quintessential example of his action painting technique where ropes of color, drips of black, and pools of white coalesce into the layered dynamism that defines his style. While past work has identified the red and yellow pigments that form part of his core palette, the vibrant blue in the painting has remained unassigned. In this study resonance Raman spectroscopy is used to assign the blue in the painting as manganese blue. This assignment offers critical context for the conservation of his works. Importantly, assignment of this pigment enables spectroscopic investigation of the electronic structure origin of the pure hue of manganese blue and the chemical phenomena that produce its color. To probe these phenomena, resonance Raman data are coupled to magnetic circular dichroism spectroscopy and density functional theory calculations to assign and analyze the two electronic transitions that create the blue color. This study reveals these bands are split by excited-state exchange interactions; the gap between them contains the reflected light that gives manganese blue its appearance. This sheds light on distinct advantages of molecular inorganic pigments: their ability to leverage ligand field effects in charge transfer states to create multiple intense visible absorption features and the ability to fine-tune pigment color through host lattice electrostatics.

DFT↗

NASA NTRS1998

Critical Slowing Down in Time-to-Extinction: An Example of Critical Phenomena in Ecology

We study a model for two competing species that explicitly accounts for effects due to discreteness, stochasticity and spatial extension of populations. The two species are equally preferred by the environment and do better when surrounded by others of the same species. We observe that the final outcome depends on the initial densities (uniformly distributed in space) of the two species. The observed phase transition is a continuous one and key macroscopic quantities like the correlation length of clusters and the time-to-extinction diverge at a critical point. Away from the critical point, the dynamics can be described by a mean-field approximation. Close to the critical point, however, there is a crossover to power-law behavior because of the gross mismatch between the largest and smallest scales in the system. We have developed a theory based on surface effects, which is in good agreement with the observed behavior. The course-grained reaction-diffusion system obtained from the mean-field dynamics agrees well with the particle system.

Gandhi, Amar↗

DOE OSTI2024

Quantum criticality in coupled hybrid metal-semiconductor islands

We show that the combined effects of a dynamical Coulomb blockade and integer quantum Hall effect in a coupled hybrid metal-semiconductor setup provide a pathway for realizing resonant tunneling in Luttinger liquids. This hybrid setup can be brought to the quantum critical regime by varying gate voltages and contact resistances. We explore the nature of quantum criticality, Kondo effect, charge fractionalization, and transport in such a hybrid setup, and verify their robust non-Fermi-liquid behaviors. In conclusion, our work opens a promising route for quantum simulating exotic zero-temperature quantum critical phenomena associated with Luttinger-liquid physics in a nanoengineered electronic circuit with well-defined quantum Hall channels.

Coulomb blockade↗