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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 109 records · Page 6

Observation of solid-state bidirectional thermal conductivity switching in antiferroelectric lead zirconate (PbZrO 3 )

Materials with tunable thermal properties enable on-demand control of temperature and heat flow, which is an integral component in the development of solid-state refrigeration, energy scavenging, and thermal circuits. Although gap-based and liquid-based thermal switches that work on the basis of mechanical movements have been an effective approach to control the flow of heat in the devices, their complex mechanisms impose considerable costs in latency, expense, and power consumption. As a consequence, materials that have multiple solid-state phases with distinct thermal properties are appealing for thermal management due to their simplicity, fast switching, and compactness. Thus, an ideal thermal switch should operate near or above room temperature, have a simple trigger mechanism, and offer a quick and large on/off switching ratio. In this study, we experimentally demonstrate that manipulating phonon scattering rates can switch the thermal conductivity of antiferroelectric PbZrO 3 bidirectionally by –10% and +25% upon applying electrical and thermal excitation, respectively. Our approach takes advantage of two separate phase transformations in PbZrO 3 that alter the phonon scattering rate in different manners. In this study, we demonstrate that PbZrO 3 can serve as a fast (<1 second), repeatable, simple trigger, and reliable thermal switch with a net switching ratio of nearly 38% from ~1.20 to ~1.65 W m –1 K –1 .

25 ENERGY STORAGE↗

Superheating gold beyond the predicted entropy catastrophe threshold

In their landmark study, Fecht and Johnson unveiled a phenomenon that they termed the ‘entropy catastrophe’, a critical point where the entropy of superheated crystals equates to that of their liquid counterparts. This point marks the uppermost stability boundary for solids at temperatures typically around three times their melting point. Despite the theoretical prediction of this ultimate stability threshold, its practical exploration has been prevented by numerous intermediate destabilizing events, colloquially known as a hierarchy of catastrophes, which occur at far lower temperatures. Here we experimentally test this limit under ultrafast heating conditions, directly tracking the lattice temperature by using high-resolution inelastic X-ray scattering. Our gold samples are heated to temperatures over 14 times their melting point while retaining their crystalline structure, far surpassing the predicted threshold and suggesting a substantially higher or potentially no limit for superheating. We point to the inability of our samples to expand on these very short timescales as an important difference from previous estimates. These observations provide insights into the dynamics of melting under extreme conditions.

Laser-produced plasmas↗

Quantum disordered ground state in the triangular-lattice magnet NaRuO 2

It has long been hoped that spin liquid states might be observed in materials that realize the triangular lattice Hubbard model. However, weak spin-orbit coupling and other small perturbations often induce conventional spin freezing or magnetic ordering. Sufficiently strong spin-orbit coupling, however, can renormalize the electronic wave function and induce anisotropic exchange interactions that promote magnetic frustration. Here we show that the cooperative interplay of spin-orbit coupling and correlation effects in the triangular lattice magnet NaRuO 2 produces an inherently fluctuating magnetic ground state. Despite the presence of a charge gap, we find that low-temperature spin excitations generate a metal-like term in the specific heat and a continuum of excitations in neutron scattering, reminiscent of spin liquid states previously found in triangular lattice organic magnets. Further cooling produces a crossover into a different, highly disordered, spin state whose dynamic spin autocorrelation function reflects persistent fluctuations. Furthermore, these findings establish NaRuO 2 as a cousin to organic, Heisenberg spin liquid compounds with a low-temperature crossover in quantum disorder.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Discovery of charge density wave in a kagome lattice antiferromagnet

A hallmark of strongly correlated quantum materials is the rich phase diagram resulting from competing and intertwined phases with nearly degenerate ground state energies. A well-known example is the copper oxides, where a charge density wave (CDW) is ordered well above and strongly coupled to the magnetic order to form spin-charge separated stripes that compete with superconductivity. Recently, such rich phase diagrams have also been revealed in correlated topological materials. In two-dimensional kagome lattice metals consisting of corner-sharing triangles, the geometry of the lattice can produce flat bands with localized electrons, non-trivial topology, chiral magnetic order, superconductivity and CDW order. While CDW has been found in weakly electron correlated nonmagnetic AV 3 Sb 5 (A = K, Rb, Cs), it has not yet been observed in correlated magnetic ordered kagome lattice metals. Here we report the discovery of CDW within the antiferromagnetic (AFM) ordered phase of kagome lattice FeGe. The CDW in FeGe occurs at wavevectors identical to that of AV 3 Sb 5 , enhances the AFM ordered moment, and induces an emergent anomalous Hall effect. Furthermore, our findings suggest that CDW in FeGe arises from the combination of electron correlations-driven AFM order and van Hove singularities-driven instability possibly associated with a chiral flux phase, in stark contrast to strongly correlated copper oxides and nickelates, where the CDW precedes or accompanies the magnetic order.

36 MATERIALS SCIENCE↗

Inferring the Isotropic-Nematic Phase Transition with Generative Machine Learning

Generative machine learning models are capable of learning the phase behavior in condensed matter systems such as the Ising model. We utilize a score-based modeling procedure called thermodynamic maps to describe the isotropic-nematic phase transition in a melt of Gay-Berne ellipsoids. When trained on samples from a single temperature on either side of the phase transition, this generative machine learning approach infers effectively the nematic order parameter at intermediate temperatures. Furthermore, these results demonstrate score-based models’ ability to learn the physics of a nontrivial liquid crystal phase transition.

Critical exponents↗

Identification of non-Fermi liquid fermionic self-energy from quantum Monte Carlo data

Quantum Monte Carlo (QMC) simulations of correlated electron systems provide unbiased information about system behavior at a quantum critical point (QCP) and can verify or disprove the existing theories of non-Fermi liquid (NFL) behavior at a QCP. However, simulations are carried out at a finite temperature, where quantum critical features are masked by finite-temperature effects. Here, we present a theoretical framework within which it is possible to separate thermal and quantum effects and extract the information about NFL physics at T = 0. We demonstrate our method for a specific example of 2D fermions near an Ising ferromagnetic QCP. We show that one can extract from QMC data the zero-temperature form of fermionic self-energy Σ(ω) even though the leading contribution to the self-energy comes from thermal effects. We find that the frequency dependence of Σ(ω) agrees well with the analytic form obtained within the Eliashberg theory of dynamical quantum criticality, and obeys ω 2/3 scaling at low frequencies. Our results open up an avenue for QMC studies of quantum critical metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Symmetric Mass Generation with Four SU(2) Doublet Fermions

We study a single exactly massless staggered fermion in the fundamental representation of an SU(2) gauge group. We utilize an nHYP-smeared fermion action supplemented with additional heavy Pauli-Villars fields that serve to decrease lattice artifacts. The phase diagram exhibits a clear two-phase structure with a conformal phase at weak coupling and a novel new phase, the symmetric mass generation (SMG) phase, appearing at strong coupling. The SMG phase is confining with all states gapped and chiral symmetry unbroken. Our finite size scaling analysis provides strong evidence that the phase transition between these two phases is continuous, which would allow for the existence of a continuum SMG phase. Furthermore, the renormalization group flows are consistent with a 𝛽 function that vanishes quadratically at the new fixed point, suggesting that the 𝑁 𝑓 = 4 flavor SU(2) gauge theory lies at the opening of the conformal window.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

SAM Code Enhancements for Modeling of Liquid Metal-Cooled Fast Reactor Concepts

The SAM code is under development and supported by DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. These advanced reactor concepts incorporate novel and improved approaches to achieve safety and economic feasibility. This report summarizes two major efforts in addressing the modeling gaps in SAM for liquid-metal-cooled fast reactor (LMFR) applications, i.e. thermal mixing and stratification phenomena in large pools and corrosion-oxidation of components in flowing lead. A new one-dimensional model for thermal mixing and stratification effects in large pools and enclosures is developed and implemented. Thermal mixing and stratification occur when fluid enters a pool at a temperature different than the bulk fluid itself, a scenario often encountered during transients in pool-type systems. These phenomena are critical for the safety of reactors, impacting phenomena like natural circulation, which is essential for passive cooling. The improved model in SAM addresses limitations of state-of-the-art approaches by combining one-dimensional (1D) channels, representing the coolant jet flow, with lumped-parameter zero-dimensional (0D) pools, representing the rest of coolant in the tank. Energy exchange between the 1D jet and the 0D pools is based on heat transfer correlations calibrated against 3D simulations. It is verified that this model can handle various flow configurations, including hot jets in colder pools, cold jets in hotter pools, and the presence of features like ceilings, free surfaces, and obstacles. Additionally, validation against experimental data demonstrates the ability of the model to capture mixing and stratification effects in a wide range of conditions. The flexibility and improved accuracy of the new model make it a valuable tool for reactor safety analysis, allowing for the simulation of different geometries encountered in advanced reactors. A system-level corrosion modeling capability is developed and implemented in SAM to support Lead Fast Reactor (LFR) development. Although the initial focus of this capability will be on LFR application, this can later be expanded to include other liquid metals such as Lead-Bismuth Eutectic (LBE) and PbLi. This report summarizes the common corrosion mitigation strategies and outlines the progress on implementing and validating a corrosion-oxidation model in SAM. Verification and validation of the corrosion-oxidation portion of the model was performed using analytical solution and measured data from samples tested in the non-isothermal pumped lead loop at IPPE Obninsk. The iron transport and corrosion/precipitation portion of the model was assessed using an analytical model and measured corrosion depths from a natural convection lead loop experiment performed at CEA. It is demonstrated that the model implemented in SAM performed well in these assessments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Test of a new field-theoretical crossover equation-of-state

A new field-theoretical crossover equation-of-state model provides a bridge between the asymptotic behavior close to a liquid-gas critical point and the expected mean field behavior farther away.

equation-of-state critical phenomena liquid-gas cr↗

MISTE flight experiment status

The MISTE flight experiment has made significant scientific and technical progress in preparing for a future microgravity flight. We are collaborating with several theoretical modeling groups that have developed crossover (equation-of-state) models for predicting thermodynamic behavior near the liquid-gas critical point. Several of these models have already been used to test experimental measurements of the heat capacity at constant volume, isothermal susceptibility, and coexistence curve in the crossover region near the 3He liquid-gas critical point. A brief description of these models and a representative fit to experimental data will be presented. In collaboration with Mission Research Corporation, MISTE has been testing a new small pneumatic valve for use at low temperatures. The results of recent successful low temperature actuation tests will also be discussed.

critical phenomena liquid-gas critical point↗

Progress in the development of the MISTE flight experiment

The MISTE flight experiment plans to measure the specific heat at constant volume, C(sub v), and isothermal susceptibility chi(sup tau), near the (sup 3)He liquid-gas critical point. A new method for precisely determining the critical temperature is being evaluated and will be presented.

critical phenomena liquid-gas critical point↗