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DOE OSTI2024

Basic Energy Sciences Roundtable: Foundational Science to Accelerate Nuclear Energy Innovation

Energy security, availability, and reliability are among the greatest challenges facing the nation and the planet. An abundant potential source of energy resides in the fundamental atomic building blocks of the universe in the form of nuclear fission and fusion reactions. In fact, energy from nuclear fission currently provides the majority of the world’s zero-carbon electricity, and future fusion energy systems offer great promise; carbon-free nuclear energy technologies can be key to the world’s decarbonized energy future. Although contemporary fission systems use well-established technologies to supply safe and efficient baseload power, they could be more fuel efficient and less costly. Moving beyond massive light-water fission reactors to a variety of advanced nuclear systems—which will vary in size and operate in extremes of temperature, corrosivity, and other parameters—will place stringent conditions on materials and chemical systems. New demands will be placed on the coolants and solvents, the materials, and the monitoring tools used in these reactors. Fusion-based nuclear energy will require superior materials to withstand extremely high temperatures, plasma exposure, radiation damage, and implanted gases. The advantages associated with these new fission and fusion technologies will be realized only through continued advancements in the fundamental science underpinning our knowledge of the physics and chemistry of nuclear systems gained via improved experimental and computational methods. In July 2022, the U.S. Department of Energy’s Office of Basic Energy Sciences—in coordination with the Offices of Nuclear Energy, Fusion Energy Sciences, and Advanced Scientific Computing Research—held a virtual roundtable titled “Foundational Science to Accelerate Nuclear Energy Innovation” to discuss the scientific and technical barriers for advanced nuclear energy systems. Five priority research opportunities were identified to address these scientific and technical challenges and to accelerate progress toward the realization of next-generation fusion and fission energy systems. The foundational science gaps inhibiting the advancement of nuclear energy technologies are identified and tackled in five priority research opportunities. These opportunities pave the way to accelerate the development and ultimately the adoption of new nuclear energy systems. They include the fundamental aspects of ion-electron interactions; novel properties of next-generation coolants and solvents; interfacial dynamics, not only in solids, but in other aspects of nuclear reactors; novel operando and in situ monitoring and sensing; and artificial intelligence to accelerate condensed phases discovery. Building on the foundation established by previous Basic Energy Sciences workshops, these opportunities encompass recent advances in fundamental knowledge and focus on the experimental and computational methods needed to resolve major technical challenges for nuclear energy technologies. Through developing fundamental scientific insight as well as pushing the frontiers of modeling complex systems and probing the operation of materials and chemical systems in extreme environments, research motivated by the priorities identified here will further develop the promise, potential, and utilization of nuclear energy for a clean energy future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2013

Corundum-Hibonite Inclusions and the Environments of High Temperature Processing in the Early Solar System

Calcium, Aluminum-rich inclusions (CAIs) are composed of the suite of minerals predicted to be the first to condense from a cooling gas of solar composition [1]. Yet, the first phase to condense, corundum, is rare in CAIs, having mostly reacted to form hibonite followed by other phases at lower temperatures. Many CAIs show evidence of complex post-formational histories, including condensation, evaporation, and melting [e.g. 2, 3]. However, the nature of these thermal events and the nebular environments in which they took place are poorly constrained. Some corundum and corundum-hibonite grains appear to have survived or avoided these complex CAI reprocessing events. Such ultra-refractory CAIs may provide a clearer record of the O isotopic composition of the Sun and the evolution of the O isotopic composition of the planet-forming region [4-6]. Here we present in situ O and Mg isotopic analyses of two corundum/hibonite inclusions that record differing formation histories.

Needham, A. W.↗

DOE OSTI2025

Continuum laser absorption spectroscopy of C 2 (a 3 Π u ) in a sublimating cloud of carbon black

A direct optical absorption diagnostic has been developed for rotationally resolved measurements of diatomic carbon (a 3 Π u →d 3 Π g (0,0) and (1,1)) at a repetition rate of 525 kHz and resolution of 7.3 pm over the range of 511.1–514.1 nm. The diagnostic utilizes a high-power pulsed continuum laser light source dispersed in a spectrograph and imaged by a high-speed camera. Measurements have been performed that capture the temporal evolution of C 2 number density and temperature of a cloud of carbon black sublimating in shock heated gas at high temperature and pressure (T = 5500 K, P = 3.7 atm). A simultaneous light absorption measurement of the condensed phase enables comparisons of the gaseous C 2 number density to the condensed phase mass. The continuum laser absorption diagnostic is applied to C 2 in this work but shows promise in being a simple “drop-in” system for absorption spectroscopy in the visible range at rapid repetition rates and high dispersion, filling an important gap for laser diagnostic systems.

Willhardt, Colton Dean [Univ. of Illinois at Urban↗

NASA NTRS1972

Closed-cycle power supply for fluidic control systems

Power supply utilizes small quantities of two-phase fluid of suitable thermodynamic properties for circulation in a capillary-pumped heat transfer loop. Fluid is vaporized in evaporator, passed through fluidic system load, condensed, pumped by multistage capillary pump, and returned to the evaporator.

Fiet, O.↗

NASA NTRS1985

Poorly graphitized carbon as a new cosmothermometer for primitive extraterrestrial materials

A description is presented for the most common carbon phase in carbon-rich chondritic porous (CP) aggregate collected from the stratosphere by NASA researchers as part of the Cosmic Dust Program. An extraterrestrial origin was confirmed for the samples by microscopic examinations. The sample grains contained 45 percent carbon-rich phases and 30 percent low-temperature phases. Studies of the d002 interlayer spacing of the carbon clumps indicated that graphitization occurred at metamorphic temperatures after solar nebular condensation, yet early in solar system formation. Graphitized terrestrial materials served as a useful reference against which the CP materials were compared.

Rietmeijer, F. J. M.↗

NASA NTRS1986

A research proposal on spectroscopy of gases and solids observed in the solar system

It is well recognized and accepted that the interpretation and analysis of any type of remote planetary spectroscopic observation requires that basic molecular parameters be available. Furthermore, the newly developed capabilities of air, ground, and space borne spectrometers trained on bodies in the solar system are producing results which are extremely difficult to understand on the basis of available data. This is particularly true in the case of spectral features arising from gases and volatiles condensed as ices. With the objective to continue to extend the understanding of spectroscopic observations of solar system objects (including comets) , laboratory studies of both gas phase molecules and ices and dusts are proposed.

Valero, F. P. J.↗

DOE OSTI2024

Disentangling the physics of the attractive Hubbard model as a fully interacting model of fermions via the accessible and symmetry-resolved entanglement entropies

The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information science has demonstrated that more global diagnostics of quantum states like the entanglement entropy can provide a complementary and clarifying lens on electronic behavior. One particularly useful measure that can be used to distinguish between quantum and classical sources of entanglement is the accessible entanglement, the entanglement available as a quantum resource for systems subject to conservation laws, such as fixed particle number, due to superselection rules. In this work, we introduce an algorithm and demonstrate how to compute accessible and symmetry-resolved entanglements for interacting fermion systems. This is accomplished by combining an incremental version of the swap algorithm with a recursive auxiliary field quantum Monte Carlo algorithm recently developed by the authors. We apply these tools to study the pairing and charge density waves exhibited in the paradigmatic attractive Hubbard model via entanglement. We find that the particle and spin symmetry-resolved entanglements and their related full probability distribution functions show very clear—and unique—signatures of the underlying electronic behavior even when those features are less pronounced in conventional correlation functions. Altogether, this work provides a systematic means of characterizing the entanglement within quantum systems that can grant a deeper understanding of the complicated electronic behavior that underlies quantum phase transitions and crossovers in many-body systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Phase Switch Driven by the Hidden Half-Ice, Half-Fire State in a Ferrimagnet

The notion of “half fire, half ice” was recently introduced to describe an exotic macroscopic ground-state degeneracy emerging in a ferrimagnet under the critical magnetic field, in which the “hot” spins are fully disordered on the sublattice with smaller magnetic moments and the “cold” spins are fully ordered on the sublattice with larger magnetic moments. Here, we further point out that this state has a twin named “half ice, half fire” in which the hot and cold spins switch positions. The new state is an excited state—thus hidden in the ground-state phase diagram—and is robust with respect to the interactions that destroy the half-fire, half-ice state. We demonstrate with exact results how this hidden state can drive phase switching at desirable finite temperature, even for the one-dimensional Ising model where phase transition at finite temperature is forbidden. Finally, we suggest that our findings may open a new door to the understanding and controlling of phase competition and transition in unconventional frustrated systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1985

Use of two-phase flow heat transfer method in spacecraft thermal system

In space applications, weight, volume and power are critical parameters. Presently liquid freon is used in the radiator planels of the Space Shuttle to dissipate heat. This requires a large amount of freon, large power for pumps, large volume and weight. Use of two-phase flow method to transfer heat can reduce them significantly. A modified commercial vapor compression refrigerator/freezer was sucessfully flown in STS-4 to study the effect of zero-gravity on the system. The duty cycle was about 5 percent higher in flight as compared to that on earth due to low flow velocity in condenser. The vapor Reynolds number at exit was about 4000 as compared to about 12,000. Efforts are underway to design a refrigerator/freezer using an oil-free compressor for Spacelab Mission 4 scheduled to fly in January 1986. A thermal system can be designed for spacecraft using the two-phase flow to transfer heat economically.

Hye, A.↗

DOE OSTI2024

Filling constraints on translation invariant dipole conserving systems

Systems with conserved dipole moment have drawn considerable interest in light of their realization in recent experiments on tilted optical lattices. Here, an important question for such systems is delineating the conditions under which they admit a unique gapped ground state that is consistent with all symmetries. Here, we study one-dimensional translation-invariant lattices that conserve U(1) charge and Z L dipole moment, where discreteness of the dipole symmetry is enforced by periodic boundary conditions, with L the system size. We show that in these systems, a symmetric, gapped, and non-degenerate ground state requires not only integer charge filling, but also a fixed value of the dipole filling, while other fractional dipole fillings enforce either a gapless or symmetry-breaking ground state. In contrast with prior results in the literature, we find that the dipole filling constraint depends both on the charge filling as well as the system size, emphasizing the subtle interplay of dipole symmetry with boundary conditions. We support our results with numerical simulations and exact results.

1-dimensional systems↗

NASA NTRS1987

Hard-sphere fluid in infinite dimensions

The exact Mayer series is derived for the pressure, density, and equation of state of a hard-sphere fluid in the limit of infinite space dimensions D. The Mayer series can be analytically continued into the full (cut) activity plane, and there is no sign of a phase transition. The quantum-mechanical system is also treated. For D = infinity, the fluid behaves like an ideal Bose gas and undergoes a Bose-Einstein condensation.

Wyler, D.↗

NASA NTRS2001

The Onset of Oscillations in Non-Premixed Combustion

In a microgravity environment, molecular diffusion is the primary mechanism by which fuel and oxidizer that are initially separated are brought together to the reaction zone. Combustion systems in microgravity are therefore primed to diffusive-thermal instabilities. One such instability appears in the form of spontaneous oscillations. Oscillations were observed in condensed-phase fuels and gas-jet diffusion flames, and in microgravity jet-flames, candle flames and spherical flames surrounding large fiber-supported fuel droplets. The nature of oscillations is quite different in each of these cases: the droplet flame exhibits radial oscillations, the edge of the candle flame is seen to move back and forth along the hemispherical flame surface and the jet-flame oscillations are primarily up and down along the axis. Despite these differences, associated mainly with the mode of oscillation, one may identify some common factors: in all cases the flame exhibits low-frequency oscillations, oscillations are only observed in special mixtures and their onset occur only at near-extinction conditions.

Matalon, Moshe↗

DOE OSTI2025

Geometric control of hyperbolic exciton-polariton condensate dimers

Coupled many-body quantum systems exhibit rich emergent physics with diverse stationary and dynamical behaviours. By engineering platforms with tunable and distinct coupling mechanisms, new insights emerge into the collective behaviour of coupled many body systems. Particles can be exchanged via evanescent or ballistic coupling: the former, based on proximity, yields large spectral splitting, while the latter requires strict phase-matching, analogous to phase-coupled harmonic oscillators and has a smaller impact on the energy landscape. We demonstrate an all-optically tunable quantum fluid dimer based on exciton-polariton condensates in a photonic crystal waveguide with hyperbolic (saddle-like) dispersion. Varying the dimer’s angle relative to the grating tunes the coupling from evanescent to ballistic. We directly observe spectral features and mass flow shaped by the saddle dispersion. This work highlights photonic crystals as powerful platforms to explore condensed matter phenomena lying at the interface between delay-coupled nonlinear oscillators and tight binding physics.

Georgakilas, Ioannis [IBM Research-Zurich, Rüschli↗

NASA NTRS1975

Distribution and significance of chromium in meteorites

Chromium is present as a minor element in all meteorite types. Depending on the meteorite type it is lithophile (most frequent), chalcophile (less frequent), or siderophile (rare). Chromium is an indicator of physical and chemical conditions of meteorite formation, especially of the state of oxidation. The Cr contents of meteoritic chromites are related to classification and can be used to distinguish among meteorite types that contain this mineral. The distribution of Cr between coexisting pyroxenes may indicate the degree of equilibration of this mineral pair. Siderophile Cr appears to result from primitive condensation processes rather than secondary reduction processes. The lack of much experimental data on Cr in silicate systems limits the interpretation of the occurrences of Cr-silicate phases, ureyite and krinovite, in the meteorite type in which they occur.

Bunch, T. E.↗

DOE OSTI2026

Neural-network quantum states for the nuclear many-body problem

A long-standing goal of nuclear theory is to explain how the structure and dynamics of atomic nuclei and neutron-star matter emerge from the underlying interactions among protons and neutrons. Achieving this goal requires solving the nuclear quantum many-body problem with high accuracy across a wide range of length scales and density regimes. In this review, we discuss how artificial neural network representations of the nuclear many-body wave function have significantly extended the capabilities of continuum quantum Monte Carlo methods. In particular, neural network quantum states enable calculations of larger systems than were previously accessible and provide a flexible framework for capturing phenomena that challenge conventional approaches, including the emergence of nuclear clusters and superfluid phases in dense matter. We highlight recent applications to finite nuclei, infinite nuclear and neutron matter, and dynamical processes relevant to lepton-nucleus and nucleus-nucleus scattering. We also discuss conceptual and methodological connections with condensed matter physics, emphasizing developments in neural network quantum states that bridge strongly correlated systems across disciplines. Together, these developments demonstrate how neural-network methods open new avenues toward unified and accurate descriptions of nuclear structure, matter, and reactions.

Lovato, Alessandro [Argonne; TIFPA-INFN, Trento; V↗

NASA NTRS1986

Silicon production in an aerosol reactor

An aerosol reactor system was developed in which large particles of silicon can be grown by silane pyrolysis. To grow particles to sizes larger than one micron, vapor deposition must be used to grow a relatively small number of seed particles. Suppression of nucleation is achieved by limiting the rate of gas phase chemical reactions such that the condensible products of the gas phase chemical reactions diffuse to the surface of the seed particles as rapidly as they are produced. This prevents high degrees of supersaturation and runaway nucleation during the growth process. Particles on the order of 10 microns were grown repeatedly with the present aersol reactor. The nucleation controlled aerosol reactor is, therefore, a suitable system for the production of powders that can readily be separated from the gas by aerodynamic means.

Wu, J. J.↗

DOE OSTI2024

Lattice and magnetic structure in the van der Waals antiferromagnet VBr 3

Here, we report a comprehensive investigation of the lattice and magnetic structure in van der Waals antiferromagnet VBr 3 , characterized by a BiI 3 -type structure at room temperature. Neutron diffraction experiments were performed on both polycrystalline and single-crystalline VBr 3 samples, revealing clear magnetic Bragg peaks emerging below the Néel temperature of T N =26.5 K. These magnetic Bragg peaks can be indexed by k=(0, 0.5, 1) in hexagonal notation. Our refinement analysis suggests that the antiferromagnetic order in VBr 3 manifests as a zigzag structure. Moreover, we observed peak splitting for nuclear Bragg peaks in the HK plane below the structure transition temperature of T S =90.4 K, indicating the breaking of threefold symmetry within the ab plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Memory and rejuvenation in glassy systems

Here, the memory effect in a single crystal spin glass (Cu 0.92 Mn 0.08 ) has been measured using 1 Hz ac susceptibility measurements over a reduced temperature range of 0.4 - 0.7 T g and a model of the memory effect has been developed. A double-waiting-time protocol is carried out where the spin glass is first allowed to age at a temperature below T g , T w$_{1}$ , followed by a second aging 4 K lower, T w$_{2}$ . The 4 K separation is sufficient to ensure rejuvenation has occurred. The model is based on calculating overlaps between the growth of the correlation lengths at the two temperatures. It accounts for the absolute magnitude of the memory effect as a function of both waiting times and temperatures. The data can be explained by the memory loss being a function of the relative change in the correlated volume at the first waiting temperature due to growth in the correlations at the second waiting temperature.

36 MATERIALS SCIENCE↗