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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Operando measurement of lattice strain in internal combustion engine components by neutron diffraction

Significance Internal combustion engine components experience extreme thermomechanical cycling during operation, and the continuing need to improve engine efficiency while maintaining or improving reliability drives the development of lightweight materials with improved thermal and mechanical integrity. Understanding the behavior of new materials in dynamic operation requires operando characterization tools, but conventional in situ measurements of material behavior during real engine operation are very limited, and no practical means exist to replicate such extreme dynamics for ex situ study. In this work, we demonstrate that the penetrating power of neutrons can provide noninvasive measurement of lattice strains inside components of a firing engine, enabling the operando study of complex load states and thermal gradients throughout the solid materials.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Quantum criticality and topology in non-equilibrium systems

A key goal of condensed matter physics research is to identify new phases of matter, and to understand the universal features of the phase transitions between them. In the past decade, physicists have uncovered a wealth of new phases with interesting surface properties, exemplified by the theoretical prediction and subsequent experimental discovery of topological insulators and superconductors. Traditional condensed matter systems are usually in a thermal equilibrium state and typically at very low temperature. Very recently, experimental advances have sparked interest in the non-equilibrium setting. Non-equilibrium systems can host new phases and phenomena with no equilibrium counterpart, and could also enable robust ways to build quantum memory devices to store and manipulate quantum information in a coherent manner. These phases and phenomena are inherently “dynamical”: they are described not by changes in the arrangement or structure of the constituent particles, but instead marked by sharp distinctions in how the particles move and exchange energy or quantum information. The discovery of robust non-equilibrium phases raises many fundamental questions: Can we develop a systematic theory of states of matter and of dynamical transitions between such states? How can such states be realized and probed experimentally? The main goal of this project was to explore the emergence of topological phases and quantum criticality (two cornerstones of modern condensed matter physics in equilibrium) in such non-equilibrium quantum systems. Specific goals included (1) using tensor networks to efficiently represent non-equilibrium states of matter and their phase transitions; (2) studying and designing new probes for periodically driven systems; and (3) developing analytic and numerical tools to analyze non-equilibrium topological phase transitions. Advances in these directions were achieved using novel techniques appropriate to study the non-equilibrium dynamics in many-body quantum systems combining strong interactions and randomness. Taken together, these results provide a new conceptual framework for understanding the emergence of quantum critical and topological properties in quantum systems far from thermal equilibrium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

COMSOL Models and Simulation Results for Closed-Loop Geothermal Systems with Thermal Enhancements

The Closed-Loop Geothermal Working Group and the National Renewable Energy Laboratory (NREL) have studied the performance of disc-shaped and linear thermal enhancements (conductive material introduced around a wellbore) in closed-loop geothermal systems. COMSOL models were developed to investigate the increase in heat production in systems with thermal enhancements compared to those without, across a range of scenarios. This dataset includes two example COMSOL models, a summary of the simulation results, and a link to an accompanying paper. Studied are idealized versions of two thermal enhancement designs: (1) existing or newly created fractures surrounding the wellbore, filled with highly conductive material, and (2) a 'fishbone structure,' where short wellbores are drilled radially outward from the main wellbore and filled with highly conductive material.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Effect of Lateral Conduction in a Rectangular Fuel Plate and Optimum Stripe Widths for the OPAL Reactor

The impetus for this work is the Proliferation Resistance Optimization (PRO-X) program, which was created by the National Nuclear Security Administration (NNSA) of the US Department of Energy (DOE) to provide a framework for developing reactor designs that minimize the production of special nuclear materials while maximizing performance for peaceful uses. The Argentine company INVAP and Argonne National Laboratory collaborated to share knowledge and expertise regarding the thermal analysis of research reactors. Working together, they designed a series of test problems based on the Open Pool Australian Light Water (OPAL) reactor, whose fuel is in the form of flat plates cooled by water flowing through narrow rectangular channels. ANL used their PLTEMP/ANL code. INVAP used their TERMIC code (and its new multi-plate version, TERMIC-MP). Then, INVAP and ANL compared the two sets of results. 1-D models were used during the collaboration since for research reactor analysis, largely 1-D thermal-hydraulics models are commonly used because they are simple to apply and technically defendable. The collaboration between the two organizations aims for improvements in thermal-hydraulic models. Improvements to methods and models can reduce modeling uncertainties and excessive conservatism, allowing greater reactor performance without reducing predicted safety margins. Therefore, these improvements potentially expand the design space, making additional designs feasible, which, in turn, may achieve better fuel utilization and proliferation resistance in the designs. This report provides justification for the lateral node size (stripe width) chosen for the 1-D computer models during the collaboration. The lateral heat conduction in OPAL fuel plates is evaluated using the two-dimensional conduction capability of PLTEMP/ANL to determine a representative hot-stripe width that can be conservatively used for one-dimensional steady-state thermal-hydraulic analysis. Basically, a representative hot-stripe width needs to be selected so that the actual heat flux averaged over this stripe width is greater than or equal to the maximum heat flux obtained by the two-dimensional analysis. Detailed results in this report show that a hot-stripe width of 8.125 mm can be conservatively used for the one-dimensional thermal-hydraulics analysis of all plates. Therefore, eight equal stripes (8.125 mm each) are recommended to be modeled in the MCNP and PLTEMP/ANL full core models of the OPAL reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Nonequivalent Atomic Vibrations at Interfaces in a Polar Superlattice

In heterostructures made from polar materials, e.g., AlN–GaN–AlN, the nonequivalence of the two interfaces is long recognized as a critical aspect of their electronic properties; in that, they host different 2D carrier gases. Interfaces play an important role in the vibrational properties of materials, where interface states enhance thermal conductivity and can generate unique infrared-optical activity. The nonequivalence of the corresponding interface atomic vibrations, however, is not investigated so far due to a lack of experimental techniques with both high spatial and high spectral resolution. Herein, the nonequivalence of AlN–(Al 0.65 Ga 0.35 )N and (Al 0.65 Ga 0.35 )N–AlN interface vibrations is experimentally demonstrated using monochromated electron energy-loss spectroscopy in the scanning transmission electron microscope (STEM-EELS) and density-functional-theory (DFT) calculations are employed to gain insights in the physical origins of observations. It is demonstrated that STEM-EELS possesses sensitivity to the displacement vector of the vibrational modes as well as the frequency, which is as critical to understanding vibrations as polarization in optical spectroscopies. The combination enables direct mapping of the nonequivalent interface phonons between materials with different phonon polarizations. Furthermore, the results demonstrate the capacity to carefully assess the vibrational properties of complex heterostructures where interface states dominate the functional properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chemically Recyclable Polyester Thermosets from Activated Adipic Acid and Renewable Polyols

This study outlines a method for producing chemically recyclable crosslinked polyesters using renewable polyols-glycerol and sorbitol-combined with adipic acid (AA), which is transformed/activated into a polyanhydride mixture prior to use. A three-step procedure has been designed: 1) an acid-catalyzed reaction of AA with nontoxic isopropenyl acetate or acetic anhydride to form a crosslinking mixture (CLM) made of adipic-acetic mixed polyanhydrides; 2) a solvent- and additive-free process where glycerol or sorbitol, or a combination thereof, is reacted with the CLM to achieve a prepolymer, and 3) a casting/molding of the liquid viscous prepolymer to yield a thermoset as the end product. Different thermosets (eight examples) are prepared by changing the reagents ratio. These solids are thoroughly characterized by tensile tests, DMA, high-resolution magic angle spinning and solid-state NMR, thermal gravimetric analysis, DSC, and fourier transformed infra red (FT-IR) spectroscopy. The formation of cross-linked polyesters is confirmed in all cases, but mechanical properties varied significantly from one specimen to another. Interestingly, a tensile strength up to 18 MPa-approximately an order of magnitude higher than similar polymers-is achieved when sorbitol and the CLM are used in a 1:1 wt% ratio. The chemical recycle of the resulting polymers is achieved via methanolysis with quantitative recovery of the monomeric units.

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

Challenges and Solutions for Fast Neutron Irradiation of Bulk Material Specimens

Reactor developers continue to recognize opportunities for further enhancing fast spectrum reactor designs with advanced core materials, but all the material test reactors currently available to the United States are thermal spectrum designs. Fortunately, the Advanced Test Reactor and High Flux Isotope Reactor are versatile high flux facilities where spectral modification strategies can be used to reduce undesirable thermal neutron capture transmutation damage and augment fast flux delivered to specimens. New opportunities to leverage high flux regions and specially designed fast flux boosting experiment configurations can be used to achieve meaningful fast fluences on large specimens in ATR. New optimization potentials can be employed to achieve even higher fluences, albeit for smaller specimens, using thermal neutron filters in HFIR test positions. These capabilities, while not true fast reactors, can provide highly relevant environments for researchers needing to study the effects of fast neutron damage in bulk material specimens.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

De Sitter space is sometimes not empty

Multiple lines of evidence suggest that the Hilbert space of an isolated de Sitter universe is one dimensional but can appear larger when probed by a gravitating observer. To test this idea, we compute the von Neumann entropy of a field theory in a two-dimensional de Sitter universe which is entangled in a thermal-like state with the same field theory on a disjoint, asymptotically anti-de Sitter (AdS) black hole. Previously, it was shown that the replica trick for computing the entropy of such entangled gravitating systems requires the inclusion of a non-perturbative effect in quantum gravity — novel wormholes connecting the two spaces. Here we show that: (a) the expected wormholes connecting de Sitter and AdS universes exist, avoiding a no-go theorem via the presence of sources on the AdS boundary; (b) the entanglement entropy vanishes if the nominal entropy of the de Sitter cosmological horizon (S ds = $A^{dS}_{horizon}$/4G N ) is less than the entropy of the AdS black hole horizon (S BH = $A^{AdS}_{horizon}$/4G N ), i.e., S dS < S BH ; (c) the entanglement entropy is finite when S dS > S BH . Thus, the de Sitter Hilbert space is effectively nontrivial only when S dS > S BH . The AdS black hole we introduce can be regarded as an “observer” for de Sitter space. In this sense, our result is a non-perturbative generalization of the recent perturbative argument that the algebra of observables on the de Sitter static patch becomes nontrivial in the presence of an observer.

2D gravity↗
DOE OSTI2022

Steady state thermo-mechanics and material property definition framework for analyzing DCLL blanket in the fusion nuclear science facility

In this work, a thermo-mechanics model that relies on creating the material property definition framework (MPDF) and multiphysics coupling of the heat transfer and the solid mechanics modules is developed to determine the structural integrity of the recently designed dual cooled lead lithium (DCLL) inboard blanket (IB) for the Fusion Nuclear Science Facility under steady state loads. The MPDF is called to supply fusion relevant neutron irradiation and temperature induced changes in material properties during multiphysics finite element runs, and PbLi temperature profiles are used to approximate Magnetohydrodynamics effect and the nuclear volumetric heating on the PbLi. Neutron irradiation and temperature induced reduction of the yield and ultimate strengths of F82H steel at the first wall (FW) are quantified for one year. A blanket in an assembly with gaps between blanket sectors and another blanket in an assembly with no gaps between blanket sectors, both exposed to radiation damage that lasted for one year are analyzed. Analysis using the elastic ITER structural design criteria for in-vessel components (ITER SDC-IC) design rules and a linear isotropic-hardening-type elastoplastic material model are used where most appropriate. The IB blanket with gaps between blanket sectors will withstand the steady state combined thermal and coolant loads for one year operational period but will fail if no gaps are allowed between blanket sectors. It is recommended that a gap of about 7.62 mm should be provided between IB blanket sectors during assembly which would close up during service, stop neutron streaming, reduce stresses and reduce bending of the FW into the scrape-off layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Tuning Gold Nanoparticle Size with Fixed Interparticle Spacing in Large-Scale Arrays: Implications for Plasmonics and Nanoparticle Etching Masks

Gold nanoparticles play an important role in plasmonic arrays, including, but not limited to, photovoltaic, biomedical, sensing, optical, and catalytic applications. For plasmonic arrays, control over spatial variables of the array, such as nanoparticle size and spacing, must be judiciously cared for. In this work, we present here a multistep deposit/dewet process for nanoparticle ensemble fabrication that exploits thermally driven solid-state diffusional dewetting, coupled with Ostwald ripening, to tune the nanoparticle size or area coverage for a particular particle–particle spacing. The initial dewetting process defines the spatial period of the array, with subsequent dewetting steps growing the nanoparticles while adhering to the “seeded” period from the first dewetting. Following the fifth deposit/dewet cycle, relative to the first cycle, the mean nanoparticle height exhibited a percent increase of 90 and 66% for 5 and 7.5 nm multistep deposit/dewet processes, respectively, while minimally impacting the ensemble period. This provides unprecedented control over the spatial parameters of large-scale nanoparticle ensembles for plasmonic and etching-mask applications where a particular particle size and spacing are desired. Due to the simplicity of the technique and its area scalability, the cyclic deposition/dewetting process is shown here to be a method that can be easily scaled up to apply to large-area (up to meter-size) applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

String Phase in an Artificial Spin Ice

Abstract One-dimensional strings of local excitations are a fascinating feature of the physical behavior of strongly correlated topological quantum matter. Here we study strings of local excitations in a classical system of interacting nanomagnets, the Santa Fe Ice geometry of artificial spin ice. We measured the moment configuration of the nanomagnets, both after annealing near the ferromagnetic Curie point and in a thermally dynamic state. While the Santa Fe Ice lattice structure is complex, we demonstrate that its disordered magnetic state is naturally described within a framework of emergent strings. We show experimentally that the string length follows a simple Boltzmann distribution with an energy scale that is associated with the system’s magnetic interactions and is consistent with theoretical predictions. The results demonstrate that string descriptions and associated topological characteristics are not unique to quantum models but can also provide a simplifying description of complex classical systems with non-trivial frustration.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Development of a new quantum trajectory molecular dynamics framework

An extension to the wave packet description of quantum plasmas is presented, where the wave packet can be elongated in arbitrary directions. A generalized Ewald summation is constructed for the wave packet models accounting for long-range Coulomb interactions and fermionic effects are approximated by purpose-built Pauli potentials, self-consistent with the wave packets used. We demonstrate its numerical implementation with good parallel support and close to linear scaling in particle number, used for comparisons with the more common wave packet employing isotropic states. Ground state and thermal properties are compared between the models with differences occurring primarily in the electronic subsystem. Especially, the electrical conductivity of dense hydrogen is investigated where a 15% increase in DC conductivity can be seen in our wave packet model compared with other models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Nanoscale Observation and Control of Quasiparticle Induced Magnetic Noise in a Superconducting Resonator

Superconducting circuits are arguably taking a leading role in driving the ongoing quantum technological revolution. A detailed knowledge of the microscopic fluctuating electromagnetic properties plays an important role in advancing the circuitry design, testing, and material integration of cutting-edge superconducting quantum electronics. Here, in this work, we report scanning nitrogen-vacancy (NV) quantum sensing of local magnetic noise environment of an on-chip superconducting resonator. We find that quasiparticle-induced fluctuating magnetic fields can drive NV spin relaxation, which shows a peak value around the superconducting transition point of niobium at the thermal equilibrium state. External microwave driving at the resonator mode frequency significantly increases the quasiparticle density, leading to enhancement of magnetic noise. We further perform optically detected magnetic resonance measurements to demonstrate quasiparticle magnetic noise mediated off-resonant dipole coupling between the NV center and niobium resonator. Our Letter reports experimental observation of the Hebel-Slichter peak signature by an external sensor outside of a superconductor. The presented study also highlights the advantages of quantum sensors in investigating miniaturized superconducting devices, providing insights into their future performance improvements.

Li, Senlei [Georgia Institute of Technology]↗
DOE OSTI2025

Self-consistent microscopic calculations for electron captures on nuclei in core-collapse supernovae

Calculations for electron capture rates on nuclei with atomic numbers between 𝑍 = 20 and 𝑍 = 52 are performed in a self-consistent finite-temperature covariant energy density functional theory within the relativistic quasiparticle random-phase approximation. Electron captures on these nuclei contribute most to reducing the electron fraction during the collapse phase of core-collapse supernovae. The rates include contributions from allowed (Gamow-Teller) and first-forbidden (FF) transitions, and it is shown that the latter become dominant at high stellar densities and temperatures. Temperature-dependent effects such as Pauli unblocking and transitions from thermally excited states are also included. The new rates are implemented in a spherically symmetric one-dimensional simulation of the core-collapse phase. The results indicate that the increase in electron capture rates, due to inclusion of FF transitions, leads to reductions of the electron fraction at nuclear saturation density, the peak neutrino luminosity, and enclosed mass at core bounce. The new rates reaffirm that the most relevant nuclei for the deleptonization situate around the 𝑁 = 50 and 82 shell closures, but, compared to previous simulations, nuclei are less proton rich. Here, the new rates developed in this work are available, and will be of benefit to improve the accuracy of multidimensional supernova simulations.

Electron & muon capture↗
DOE OSTI2022

Direct visualization and control of antiferromagnetic domains and spin reorientation in a parent cuprate

Here, we report magnetic optical second-harmonic generation (SHG) polarimetry and imaging on Sr 2 Cu 3 O 4 Cl 2 , which allows direct visualization of the mesoscopic antiferromagnetic (AFM) structure of a parent cuprate. Temperature- and magnetic-field-dependent SHG reveals large domains with 90° relative orientations that are stabilized by a combination of uniaxial magnetic anisotropy and the Earth's magnetic field. Below a temperature T R ~ 97 K, we observe an unusual 90° spin reorientation transition, possibly driven by competing magnetic anisotropies of the two copper sublattices, which swaps the AFM domain states while preserving the domain structure. This allows deterministic switching of the AFM states by thermal or laser heating. Near T R , the domain walls become exceptionally responsive to an applied magnetic field, with the Earth's field sufficient to completely expel them from the crystal. Our findings unlock opportunities to study the mesoscopic AFM behavior of parent cuprates and explore their potential for AFM technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Room-Temperature Mechanical Resonator with a Single Added or Subtracted Phonon

A room-temperature mechanical oscillator undergoes thermal Brownian motion with an amplitude much larger than the amplitude associated with a single phonon of excitation. This motion can be read out and manipulated using laser light using a cavity-optomechanical approach. By performing a strong quantum measurement (i.e., counting single photons in the sidebands imparted on a laser), we herald the addition and subtraction of single phonons on the 300 K thermal motional state of a 4 GHz mechanical oscillator. Further, to understand the resulting mechanical state, we implement a tomography scheme and observe highly non-Gaussian phase-space distributions. Using a maximum likelihood method, we infer the density matrix of the oscillator, and we confirm the counterintuitive doubling of the mean phonon number resulting from phonon addition and subtraction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Instrumentation and methods for efficient time-resolved X-ray crystallography of biomolecular systems with sub-10 ms time resolution

Time-resolved X-ray crystallography has great promise to illuminate structure–function relations and key steps of enzymatic reactions with atomic resolution. The dominant methods for chemically-initiated reactions require complex instrumentation at the X-ray beamline, significant effort to operate and maintain this instrumentation, and enormous numbers (∼10 5 –10 9 ) of crystals per time point. We describe instrumentation and methods that enable high-throughput time-resolved study of biomolecular systems using standard crystallography sample supports and mail-in X-ray data collection at standard high-throughput cryocrystallography synchrotron beamlines. The instrumentation allows rapid reaction initiation by mixing of crystals and substrate/ligand solution, rapid capture of structural states via thermal quenching with no pre-cooling perturbations, and yields time resolutions in the single-millisecond range, comparable to the best achieved by any non-photo-initiated method in both crystallography and cryo-electron microscopy. Our approach to reaction initiation has the advantages of simplicity, robustness, low cost, adaptability to diverse ligand solutions and small minimum volume requirements, making it well suited to routine laboratory use and to high-throughput screening. We report the detailed characterization of instrument performance, present structures of binding of N -acetylglucosamine to lysozyme at time points from 8 ms to 2 s determined using only one crystal per time point, and discuss additional improvements that will push time resolution toward 1 ms.

Indergaard, John A. (ORCID:000000022367699X)↗