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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Impacts of Irradiation Structural Behavior on Thermal Hydraulics Safety Analysis to Support MURR LEU Conversion

The University of Missouri Research Reactor (MURR) located in Columbia, Missouri is one of six U.S. High Performance Research Reactors (USHPRR), including one critical facility, that is actively collaborating with U. S. Department of Energy (DOE) National Nuclear Security Administration (NNSA) Material Management and Minimization (M3) Office of Reactor Conversion and Uranium Supply to convert from the use of highly enriched uranium (HEU; ≥20 wt% U-235) to low-enriched uranium (LEU; <20 wt% U-235) fuel. A new type of very high-density LEU fuel based on an alloy of uranium and 10 wt% molybdenum (U-10Mo) is expected to allow the conversion to LEU of MURR, as well as four other USHPRR. MURR has been working with the Reactor Conversion Pillar at Argonne to perform fuel element design and fuel cycle performance analyses, steady-state thermal hydraulics safety analysis, and accident safety analyses in preparation for the conversion of MURR and to support a preliminary safety analysis report for conversion to LEU fuels. Subsequent analyses have also been performed, including transition cycles where all-fresh LEU fuel elements are introduced upon conversion and progressing through reactor operations the core is brought to equilibrium. Thermal hydraulics safety analyses performed as part of the above have employed an assumption on channel gap reduction due to burnup-related phenomena including fuel swelling, irradiation creep, and oxide layer buildup. Recently, a series of structural analyses have been performed on the MURR LEU fuel plates and an element due to significant differences between the plate and element designs of the MURR HEU and LEU fuels. In addition, NUREG-1537 indicates that structural phenomena are to be evaluated. Two separate types of structural analyses were performed for the MURR LEU fuel element: fluid-structure interaction (FSI) and irradiation thermo-mechanical. The FSI analysis evaluated the effects of hydraulic forces on the MURR LEU fuel element to quantify the flow-induced plate deflection, and a minimal impact to the channel gap thickness was predicted under prototypic and bounding conditions. The irradiation thermo-mechanical analysis evaluated the effects of fuel swelling, irradiation creep, and thermal expansion for the MURR LEU plates and the element for prototypic thermal and irradiation conditions based on a high-fidelity approach multiphysics approach. Overall, this thermo-mechanical analysis predicts smaller gap thickness changes in previously limiting regions. Larger changes are predicted in the middle of channels, and for end channels where power density is not typically a maximum. An additional thermo-mechanical analysis was performed for the outermost HEU fuel plate, which showed a similar magnitude of deflection as the outermost LEU plate. Due to substantial differences between the channel gap reductions assumed for the previous safety analyses and those predicted by the irradiation thermo-mechanical analysis, a need to evaluate their impact on the thermal hydraulics safety analyses arose. This report presents the results from the steady-state safety analyses for normal operation as well as the accident analyses for the two most limiting accident scenarios.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Elliptic flow of heavy-flavor decay electrons in Au+Au collisions at s NN = 27 and 54.4 GeV at RHIC

We report on new measurements of elliptic flow (v 2 ) of electrons from heavy-flavor hadron decays at mid-rapidity (|y| < 0.8) in Au+Au collisions at $\sqrt{s{NN}}$ = 27 and 54.4 GeV from the STAR experiment. Heavy-flavor decay electrons (eHF) in Au+Au collisions at $\sqrt{s{NN}}$ = 54.4 GeV exhibit a non-zero v 2 in the transverse momentum (p T ) region of p T < 2 GeV/c with the magnitude comparable to that at $\sqrt{s{NN}}$=200 GeV. The measured e HF v 2 at 54.4 GeV is also consistent with the expectation of their parent charm hadron v 2 following number-of-constituent-quark scaling as other light and strange flavor hadrons at this energy. These suggest that charm quarks gain significant collectivity through the evolution of the QCD medium and may reach local thermal equilibrium in Au+Au collisions at $\sqrt{s{NN}}$=54.4 GeV. The measured e HF v 2 in Au+Au collisions at $\sqrt{s{NN}}$ = 27 GeV is consistent with zero within large uncertainties. The energy dependence of v 2 for different flavor particles (π,Φ,D 0 /e HF ) shows an indication of quark mass hierarchy in reaching thermalization in high-energy nuclear collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Real-time interfacial electron dynamics revealed through temporal correlations in x-ray photoelectron spectroscopy

We present a novel technique to monitor dynamics in interfacial systems through temporal correlations in x-ray photoelectron spectroscopy (XPS) signals. To date, the vast majority of time-resolved x-ray spectroscopy techniques rely on pump–probe schemes, in which the sample is excited out of equilibrium by a pump pulse, and the subsequent dynamics are monitored by probe pulses arriving at a series of well-defined delays relative to the excitation. By definition, this approach is restricted to processes that can either directly or indirectly be initiated by light. It cannot access spontaneous dynamics or the microscopic fluctuations of ensembles in chemical or thermal equilibrium. Enabling this capability requires measurements to be performed in real (laboratory) time with high temporal resolution and, ultimately, without the need for a well-defined trigger event. The time-correlation XPS technique presented here is a first step toward this goal. The correlation-based technique is implemented by extending an existing optical-laser pump/multiple x-ray probe setup by the capability to record the kinetic energy and absolute time of arrival of every detected photoelectron. The method is benchmarked by monitoring energy-dependent, periodic signal modulations in a prototypical time-resolved XPS experiment on photoinduced surface-photovoltage dynamics in silicon, using both conventional pump–probe data acquisition, and the new technique based on laboratory time. The two measurements lead to the same result. The findings provide a critical milestone toward the overarching goal of studying equilibrium dynamics at surfaces and interfaces through time correlation-based XPS measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

IER-620 CED-3b: Experiment Execution Summary for the Pulsed-Neutron Die-Away Experiments (PNDA) with Propylene Glycol and Mobilmet 423

There is a strong need for new benchmarks to validate neutron thermal scattering laws (TSLs). Lawrence Livermore National Laboratory (LLNL) has designed a Pulsed-Neutron Die Away (PNDA) testbed for this purpose. The experiment has a deuterium-tritium (D-T) neutron generator that impinges a 10 -4 s, mono-energetic pulse of 14.1 MeV neutrons on a target sample. After the pulse, the neutron population moderates and establishes a thermal equilibrium within the sample, with a fundamental spatial mode and characteristic decay-time eigenvalue, ⍺. The ⍺ eigenvalue can be extracted from the experimental measurements of the time-dependent neutron flux coming off the surface of the sample and can then be used as an integral parameter (similar to k eff ) to validate nuclear data involved with neutron migration, thermalization, and absorption. For moderating materials and geometric configurations, the ⍺ eigenvalue is heavily dependent on thermal neutron scattering of the target material. For that reason, a PNDA experiment can have a higher sensitivity to TSLs than is commonly available with the k eff parameter in critical experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Validation of ablation model for polyethylene using pulsed x-ray and proton exposures

The surface erosion of polyethylene is interrogated using pulsed x rays at the Z Machine (Sandia National Laboratories) and with proton beams at the Gamble II generator (Naval Research Laboratory) to validate a coupled model for volumetric thermal ablation, photoionization, finite-rate decomposition, and molecular recombination of radicals. The intense radiation pulses (up to ∼1014W/m2 over tens of nanoseconds) are used to generate one-dimensional vapor flows with low ionization fractions and a simplified geometry compared to typical laser ablation, allowing for evaluation of the model under local thermal equilibrium conditions. Areal momentum carried by the ensuing uniaxial hydrodynamic shock is used to indicate the extent of ablation. The threshold fluence for ablation is found to be in close correspondence with the bulk melt transition, and reasonable agreement with the model is obtained for peak temperatures in polyethylene up to 5500 K and heating rates up to 1011K/s where thermal decomposition reactions are also active.

Moore, N. W. (ORCID:0000000272259674)↗
DOE OSTI2022

Information-Guided Dynamic Nuclear Polarization

A spin ensemble in thermal equilibrium continuously undergoes random fluctuations analogous to those observed in Brownian motion, a process known as spin noise. Here, we investigate the dynamics of a system comprising a spin-1 paramagnetic center and a hyperfine-coupled spin-1/2 nucleus in the vicinity of a level crossing. We theoretically show that nuclear spins polarize efficiently under the combined action of thermal fluctuations and a closed-loop feedback protocol. The latter articulates periodic observations of the electronic magnetization and radio-frequency pulses connecting hybrid states with opposite nuclear spin alignment. Since nuclear polarization emerges from electronic spin fluctuations, not spin order, this microwave-free technique generically benefits from warmer, not colder, operation temperatures. Furthermore, because the spin dynamics at play near a level crossing is rather insensitive to the absolute value of the magnetic field, our work promises opportunities for high-field dynamic nuclear polarization, which is difficult to attain through present methods.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Thermofield Theory for Finite-Temperature Electronic Structure

Wave function methods have offered a robust, systematically improvable means to study ground-state properties in quantum many-body systems. Theories like coupled cluster and their derivatives provide highly accurate approximations to the energy landscape at a reasonable computational cost. Analogues of such methods to study thermal properties, though highly desirable, have been lacking because evaluating thermal properties involve a trace over the entire Hilbert space, which is a formidable task. Besides, excited-state theories are generally not as well studied as ground-state ones. In this mini-review, we present an overview of a finite-temperature wave function formalism based on thermofield dynamics to overcome these difficulties. Thermofield dynamics allows us to map the equilibrium thermal density matrix to a pure state, i.e., a single wave function, albeit in an expanded Hilbert space. Ensemble averages become expectation values over this so-called thermal state. Around this thermal state, we have developed a procedure to generalize ground-state wave function theories to finite temperatures. As explicit examples, we highlight formulations of mean-field, configuration interaction, and coupled cluster theories for thermal properties of Fermions in the grand-canonical ensemble. To assess the quality of these approximations, we also show benchmark studies for the one-dimensional Hubbard model, while comparing against exact results. We will see that the thermal methods perform similarly to their ground-state counterparts, while merely adding a prefactor to the asymptotic computational cost. Furthermore, they also inherit all the properties, good or bad, from the ground-state methods, signifying the robustness of our formalism and the scope for future development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Ultrafast formation of topological defects in a two-dimensional charge density wave

Topological defects play a central role in dynamical systems undergoing a non-adiabatic transition. In solids, topological defects as a result of femtosecond laser excitation have attracted increasing interest not only because they are key to understanding phase transitions but also because they can generate a variety of hidden orders that are not accessible in thermal equilibrium. Despite the common occurrence of these defects in a non-equilibrium system, the fundamental limit on how fast they can emerge in solids and the generic pathway for defect creation at such fast timescales have remained open questions. Here we apply ultrafast electron diffraction to study the reciprocal-space signatures of transient defects in a two-dimensional charge density wave, where simultaneous measurements of both defect and phonon dynamics yield a microscopic view of defect formation in the femtosecond regime. We find that one-dimensional domain walls are generated well within 1 ps following photoexcitation, during which the defect growth is not dictated by the amplitude of the order parameter but is mediated by a non-thermal population of longitudinal optical phonons. In conclusion, our work provides a framework for the ultrafast engineering of topological defects that are coupled to specific collective modes, which will prove useful for the dynamical control of non-equilibrium phases in correlated materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Theory of Two-Level Tunneling Systems in Superconductors

We develop a field theory formulation for the interaction of an ensemble of two-level tunneling systems (TLSs) with the electronic states of a superconductor. Predictions for the impact of two-level tunneling systems on superconductivity are presented, including T c and the spectrum of quasiparticle states for conventional BCS superconductors. We show that nonmagnetic TLS impurities in conventional s-wave superconductors can act as pair-breaking or pair-enhancing defects depending on the level population of the distribution of TLS impurities. We present calculations of the enhancement of superconductivity, both T c and the order parameter, for TLS defects in thermal equilibrium with the electrons and lattice. The scattering of quasiparticles by TLS impurities leads to subgap states below the bulk excitation gap, Δ, as well as resonances in the continuum above Δ. The energies and spectral weights of these states depend on the distribution of tunnel splittings, while the spectral weights are particularly sensitive to the level occupation of the TLS impurities. Under microwave excitation, or decoupling from the thermal bath, a nonequilibrium level population of the TLS distribution generates subgap quasiparticle states near the Fermi level that contribute to dissipation and thus degrade the performance of superconducting devices at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Nature-inspired lotus-shaped fins combined with hybrid nanoparticles and metal foam for high-performance latent heat thermal energy storage

Latent heat thermal energy storage (LHTES) systems play a critical role in renewable energy integration by providing high energy density and nearly isothermal operation during phase transitions. However, their performance is often limited by slow melting/charging rates, which motivates the search for enhanced heat transfer designs. This study investigates the melting behavior of RT-82 phase change material (PCM) using novel lotus-shaped fins combined with copper metal foam and conductive graphene nanoparticles and carbon nanotubes. A two-dimensional enthalpy-porosity model in ANSYS Fluent was developed to simulate the charging/melting process, capturing non-thermal equilibrium between the foam and PCM/nano-PCM. In this study, effects of fin geometry, nanoparticle concentration, and foam porosity on melting dynamics and cost-performance trade-offs were investigated. Results showed that natural convection accelerated melting by ~12% compared to conduction-only scenarios. Optimized lotus-shaped fins with higher fin density (T3F4 and T3F10) achieved up to 63% faster melting relative to sparse configurations. Graphene nanoparticles improved thermal conductivity, with a 6% volume fraction, by reducing melting time by ~6.9%, while their combination with 75% porosity foam achieved a maximum reduction in the melting time of ~51% compared to pure PCM. Cost-performance analysis identified T3F4 as the most balanced design, offering rapid thermal response without excessive material costs, while moderate-density designs like T3S6 provided economical alternatives with acceptable performance. These results highlight the performance enhancement that can be achieved by integrating bio-inspired fins, nanoparticles, and foams, into compact and efficient LHTES for solar heating, building thermal management, and industrial waste-heat recovery applications.

25 ENERGY STORAGE↗
DOE OSTI2025

Quenching through the QCD chiral phase transition

We present a detailed numerical and analytical study of the out-of-equilibrium dynamics of Model G, the dynamical universality class relevant to the chiral phase transition. We perform numerical 3D stochastic (Langevin) simulations of the 𝑂⁡(4) critical point for large lattices in the chiral limit. We quench the system from the high-temperature unbroken phase to the broken phase and study the nonequilibrium dynamics of pion fields. Strikingly, the nonequilibrium evolution of the two-point functions exhibits a regime of growth, a parametrically large enhancement, and a subsequent slow relaxation to equilibrium. We analyze our numerical results using dynamic critical scaling and mean-field theory. The growth of the two-point functions is determined by the nonlinear dynamics of an ideal non-Abelian superfluid, which is a limit of Model G that reflects the broken chiral symmetry. We also relate the nonequilibrium two-point functions to a long-lived parametric enhancement of soft pion yields relative to thermal equilibrium following a quench.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Equilibration and “Thermalization” in the Adapted Caldeira–Leggett Model

I explore the processes of equilibration exhibited by the Adapted Caldeira–Leggett (ACL) model, a small unitary “toy model” developed for numerical studies of quantum decoherence between an SHO and an environment. I demonstrate how dephasing allows equilibration to occur in a wide variety of situations. While the finite model size and other “unphysical” aspects prevent the notions of temperature and thermalization from being generally applicable, certain primitive aspects of thermalization can be realized for particular parameter values. I link the observed behaviors to intrinsic properties of the global energy eigenstates, and argue that the phenomena I observe contain elements which might be key ingredients that lead to ergodic behavior in larger more realistic systems. The motivations for this work range from curiosity about phenomena observed in earlier calculations with the ACL model to much larger questions related to the nature of equilibrium, thermalization, and the emergence of physical laws.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Differences in Sb 2 Te 3 growth by pulsed laser and sputter deposition

High quality van der Waals chalcogenides are important for phase change data storage, thermoelectrics, and spintronics. Using a combination of statistical design of experiments and density functional theory, we clarify how out-of-equilibrium van der Waals epitaxial deposition methods can improve the crystal quality of Sb 2 Te 3 films. We compare films grown by radio frequency sputtering and pulsed laser deposition (PLD). The growth factors that influence the crystal quality for each method are different. For PLD grown films a thin amorphous Sb 2 Te 3 seed layer most significantly influences the crystal quality. In contrast, the crystalline quality of films grown by sputtering is rather sensitive to the deposition temperature and less affected by the presence of a seed layer. This difference is somewhat surprising as both methods are out-of-thermal-equilibrium plasma-based methods. Non-adiabatic quantum molecular dynamics simulations show that this difference originates from the density of excited atoms in the plasma. The PLD plasma is more intense and with higher energy than that used in sputtering, and this increases the electronic temperature of the deposited atoms, which concomitantly increases the adatom diffusion lengths in PLD. In contrast, the adatom diffusivity is dominated by the thermal temperature for sputter grown films. These results explain the wide range of Sb 2 Te 3 and superlattice crystal qualities observed in the literature. Finally, these results indicate that, contrary to popular belief, plasma-based deposition methods are suitable for growing high quality crystalline chalcogenides.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spontaneous breaking of multipole symmetries

Multipole symmetries are of interest both as a window on fracton physics and as a crucial ingredient in realizing new universality classes for quantum dynamics. Here we address the question of whether and when multipole symmetries can be spontaneously broken, both in thermal equilibrium and at zero temperature. In this work, we derive generalized Mermin-Wagner arguments for the total or partial breaking of multipolar symmetry groups and generalized Imry-Ma arguments for the robustness of such multipolar symmetry breaking to disorder. We present both general results and explicit examples. Our results should be directly applicable to quantum dynamics with multipolar symmetries and also provide a useful stepping stone to understanding the robustness of fracton phases to thermal fluctuations, quantum fluctuations, and disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Evidence for a thermally driven charge-density-wave transition in 1T-TaS 2 thin-film devices: Prospects for GHz switching speed

We report on the room-temperature switching of 1T-TaS 2 thin-film charge-density-wave devices, using nanosecond-duration electrical pulsing to construct their time-resolved current–voltage characteristics. The switching action is based upon the nearly commensurate to incommensurate charge-density-wave phase transition in this material, which has a characteristic temperature of 350 K at thermal equilibrium. For sufficiently short pulses, with rise times in the nanosecond range, self-heating of the devices is suppressed, and their current–voltage characteristics are weakly nonlinear and free of hysteresis. This changes as the pulse duration is increased to ~200 ns, where the current develops pronounced hysteresis that evolves nonmonotonically with the pulse duration. By combining the results of our experiments with a numerical analysis of transient heat diffusion in these devices, we clearly reveal the thermal origins of their switching. In spite of this thermal character, our modeling suggests that suitable reduction of the size of these devices should allow their operation at GHz frequencies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Perspective on Tsallis statistics for nuclear and particle physics

This is a concise introduction to the topic of nonextensive Tsallis statistics meant especially for those interested in its relation to high-energy proton–proton, proton–nucleus and nucleus–nucleus collisions. The three types of Tsallis statistics are reviewed. Only one of them is consistent with the fundamental hypothesis of equilibrium statistical mechanics. The single-particle distributions associated with it, namely Boltzmann, Fermi–Dirac and Bose–Einstein, are derived. These are not equilibrium solutions to the conventional Boltzmann transport equation which must be modified in a rather nonintuitive manner for them to be so. Nevertheless, the Boltzmann limit of the Tsallis distribution is extremely efficient in representing a wide variety of single-particle distributions in high-energy proton–proton, proton–nucleus and nucleus–nucleus collisions with only three parameters, one of them being the so-called nonextensitivity parameter [Formula: see text]. This distribution interpolates between an exponential at low transverse energy, reflecting thermal equilibrium, to a power law at high transverse energy, reflecting the asymptotic freedom of Quantum Chromodynamics (QCD). It should not be viewed as a fundamental new parameter representing nonextensive behavior in these collisions.

Physics↗
DOE OSTI2023

Modeling the energetic tail of a dusty plasma's electron energy distribution and its effect on dust grain charge and behavior

A model for a weakly ionized dusty plasma is proposed in which UV or x-ray radiation continuously creates free electrons at high energy, which then cool through collisions with a cold neutral gas before recombining. The transition of a free electron from high energy at birth to low energy at demise implies that the electron energy distribution is not the simple Maxwellian of an isolated system in thermal equilibrium, but instead has a high-energy tail that depends on the recombination time. This tail can have a major effect on dust grain charging because the flux of tail electrons can be substantial even if the density of tail electrons is small. Detailed analytic and numerical calculations of dust grain charging show that situations exist in which a small high-energy tail dominates charge behavior. This implies that dust grain charge in terrestrial and space dusty plasmas may be significantly underestimated if a Maxwellian distribution is assumed and the non-thermal dynamics are neglected.

Physics↗
DOE OSTI2024

Universality of Collective Density Fluctuations in Liquids at and away from Equilibrium – An Integrated Neutron Scattering, Theoretical, and Computational Study (Final Technical Report)

Liquids, ubiquitous on earth, are prototypical disordered condensed matter. As the mediate phase between non-structured gases and ordered solids, liquids p ossess intriguing complexities that are absent on either extreme counter phase, especially when they are driven away from equilibrium. Despite decades of studies, the physics of liquids still keeps surprising us and challenges our understanding of condensed matter, emergent phenomena, and complex systems. Among the many interesting properties, the nature of collective dynamics in liquids remains elusive because of both the presence of strong interactions and the absence of translational invariance. This project studied the universal features of collective density fluctuations (or collective modes), which include both phonon-like excitations and collective relaxations, in the Q-dependent generalized hydrodynamic regime in liquids and liquid-like matter both at and away from equilibrium. We performed systematic studies of the fast collective dynamics (including both phonon-like excitations and collective relaxations) of four classes of liquids characterized by different fragilities and interactions using synergistically integrated coherent neutron scattering experiments (Inelastic Neutron Scattering (INS), Quasi-Elastic Neutron Scattering (QENS), and Neutron Spin Echo (NSE)), a ViscoElastic Hydrodynamics theory we have been developing, andMolecular Dynamics (MD) simulations and our analysis package LiquidLib. The transformative knowledge of the collective dynamics in liquids is important to understand and ultimately control the transport of mass, energy, and charge in liquids, both at and away from thermal equilibrium, which may will likely impact a wide range of disciplines.

36 MATERIALS SCIENCE↗