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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Role of non-gaussian quantum fluctuations in neutrino entanglement

The flavor evolution of neutrinos in environments with large neutrino number densities is an open problem at the nexus of astrophysics and neutrino flavor physics. Among the many unanswered questions pertaining to this problem, it remains to be determined whether neutrino-neutrino coherent scattering can give rise to nontrivial quantum entanglement among neutrinos, and whether this can affect the flavor evolution in a meaningful way. To gain further insight into this question, here we study a simple system of two interacting neutrino beams, and obtain the exact phase-space explored by this system using the Husimi quasi-probability distribution. We observe that the entanglement induced by the coupling leads to strong delocalization in phase-space with largely non-Gaussian quantum fluctuations. The link between the neutrino entanglement and quantum fluctuations is illustrated using the one- and two-neutrino entropy. In addition, we propose an approximate phase-space method to describe the interacting neutrinos problem, where the exact evolution is replaced by a set of independent mean-field evolutions with a statistical sampling of the initial conditions. The phase-space approach provides a simple and accurate method to describe the gross features of the neutrino entanglement problem. Applications are shown using time-independent and time-dependent Hamiltonians in the non-adiabatic regime.

Patwardhan, Amol↗
DOE OSTI2026

Pathways from a chiral superconductor to a composite Fermi liquid

Recent experiments have reported chiral time-reversal broken superconductivity in n-layer rhombohedral graphene for n=4,5,6. Introducing a moiré potential by alignement with a hexagonal boron nitride substrate suppresses the superconductivity but leads instead to various fractional quantum anomalous Hall phenomena. Motivated by these observations, we consider the fate of the phase transition between (a chiral) Landau Fermi liquid (LFL) metal and a Composite Fermi Liquid (CFL) metal in the presence of attractive interactions. These are parent states, respectively, for the superconductor and the fractional quantum Hall states. For weak attractive interactions, the LFL is usually unstable to superconductivity while the CFL is stable. This raises the possibility of a direct continuous phase transition between the chiral superconductor and the CFL. However, we show that generically the LFL close to the transition to the CFL is stable against superconductivity. Furthermore the evolution between the CFL and chiral superconductor goes through an intermediate stable LFL phase for weak attractive interactions. With stronger interactions, the evolution can instead go through a non-Abelian paired quantum Hall state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Low-Density Parity-Check Codes as Stable Phases of Quantum Matter

Phases of matter with robust ground-state degeneracy, such as the quantum toric code, are known to be capable of robust quantum information storage. Here, we address the converse question: given a quantum error-correcting code, when does it define a stable gapped quantum phase of matter, whose ground-state degeneracy is robust against perturbations in the thermodynamic limit? We prove that a low-density parity-check (LDPC) code defines such a phase, robust against all few-body perturbations, if its code distance grows at least logarithmically in the number of degrees of freedom, and it exhibits “check soundness.” Many constant-rate quantum LDPC expander codes have such properties, and define stable phases of matter with a constant zero-temperature entropy density, violating the third law of thermodynamics. Our results also show that quantum toric-code phases are robust to spatially nonlocal few-body perturbations. Similarly, phases of matter defined by classical codes are stable against symmetric perturbations. In the classical setting, we present improved locality bounds on the quasiadiabatic evolution operator between two nearby states in the same code phase.

quantum error correction↗
DOE OSTI2020

Data-Driven Operator Theoretic Methods for Global Phase Space Learning

In this work, we propose to apply the recently developed Koopman operator techniques to explore the global phase space of a nonlinear system from time-series data. In particular, we address the problem of identifying various invariant subsets of a phase space from the spectral properties of the associated Koopman operator constructed from time-series data. Moreover, in the case when the system evolution is known locally in various invariant subspaces, then a phase space stitching result is proposed that can be applied to identify a global Koopman operator. A biological system, bistable toggle switch and a second-order nonlinear system example are considered to illustrate the proposed results. The construction of this global Koopman operator is very helpful in experimental works as multiple experiments can't be run at the same time starting from several initial conditions.

Nandanoori, Sai Pushpak↗
DOE OSTI2021

Particle Size Distribution Dynamics Can Help Constrain the Phase State of Secondary Organic Aerosol

Particle phase state is a property of atmospheric aerosols that has important implications for the formation, evolution, and gas/particle partitioning of secondary organic aerosol (SOA). In this work, we use a size-resolved chemistry and microphysics model (SOM-TOMAS), updated to include an explicit treatment of particle phase state, to constrain the bulk diffusion coefficient (Db) of SOA produced from ??- pinene ozonolysis. By leveraging data from laboratory experiments performed in the absence of a seed and under dry conditions, we find that the Db for SOA can be constrained (1-7 ×10-15 cm2 s-1 in these experiments) by simultaneously reproducing the time-varying SOA mass concentrations and the evolution of the particle size distribution. Another version of our model that used the predicted SOA composition to calculate the glass transition temperature, viscosity, and, ultimately, Db (~10-15 cm2 s-1) of the SOA was able to reproduce the mass and size distribution measurements when we included oligomer formation (oligomers accounted for about a fifth of the SOA mass). Our work highlights the potential of a size resolved SOA model to constrain the particle phase state of SOA by utilizing historical measurements of the evolution of the particle size distribution.

He, Yicong↗
NASA NTRS1985

Modelling of Laser-Enhanced Chemical Vapor Deposition

Research is directed at development of a detailed model of mass and heat transfer and chemical reaction in the pyrolysis of silane for the growth of thin amorphous silicon substrates incorporating laser heating of the gas phase above the film. The model will be the basis for evaluation of the relative importances of the decomposition of SiH4 in the vapor phase, mass transfer of the intermediate species, e.g., SiH2, and the evolution of hydrogen gas. Plans are also underway for developing a model for homogeneous nucleation of Si in the vapor phase to model the rate limitations observed at high gas-phase temperatures and high partial pressures of silane. Work was concentrated on an almost one-dimensional model for the coupling of the CO2 laser beam for heat transfer of the vapor phase with simple kinetic models for SiH4 decomposition and subsequent absorption of Si vapor on the substrate. Mass transfer in the vapor phase is assumed to be solely by diffusion. The role of convection in the vapor phase caused by the large changes in density in and around the center of the laser beam will be analyzed to evaluate the potential of microgravity experiments for increasing the uniformity of the film and the deposition rate.

Brown, R. A.↗
NASA NTRS1990

Lithium in halo stars from standard stellar evolution

A grid has been constructed of theoretical evolution sequences of models for low-metallicity stars from the premain-sequence to the giant branch phases. The grid is used to study the history of surface Li abundance during standard stellar evolution. The Li-7 observations of halo stars by Spite and Spite (1982) and subsequent observations are synthesized to separate the halo stars by age. The theory of surface Li abundance is illustrated by following the evolution of a reference halo star model from the contracting fully convective premain sequence to the giant branch phase. The theoretical models are compared with observed Li abundances. The results show that the halo star lithium abundances can be explained in the context of standard stellar evolution theory using completely standard assumptions and physics.

Deliyannis, Constantine P.↗
DOE OSTI2022

Dynamical phase-field model of coupled electronic and structural processes

Abstract Many functional and quantum materials derive their functionality from the responses of both their electronic and lattice subsystems to thermal, electric, and mechanical stimuli or light. Here we propose a dynamical phase-field model for predicting and modeling the dynamics of simultaneous electronic and structural processes and the accompanying mesoscale pattern evolution under static or ultrafast external stimuli. As an illustrative example of application, we study the transient dynamic response of ferroelectric domain walls excited by an ultrafast above-bandgap light pulse. We discover a two-stage relaxational electronic carrier evolution and a structural evolution containing multiple oscillational and relaxational components across picosecond to nanosecond timescales. The phase-field model offers a general theoretical framework which can be applied to a wide range of functional and quantum materials with interactive electronic and lattice orders and phase transitions to understand, predict, and manipulate their ultrafast dynamics and rich mesoscale evolution dynamics of domains, domain walls, and charges.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Transmission electron microscopy investigation of phase transformation and fuel constituent redistribution in neutron irradiated U-10wt.%Zr fuel

Uranium-10wt.%zirconium (U-10wt.%Zr) is a primary candidate for fast reactor nuclear fuels. However, there is a lack of data characterizing neutron irradiated crystallographic phases and chemistry. In the current study, the microstructural evolution of a U-10wt.%Zr fuel neutron irradiated to a burnup of 5.7 at.% was investigated by scanning transmission electron microscopy, energy dispersive spectroscopy, and selected area electron diffraction to determine the major phases, alterations in microstructure, and variations in local chemical composition at different localities of a fuel cross-section. The current study revealed that the irradiated U-10wt.%Zr fuel was comprised of various major phases, including a-U, ß-U, and d-UZr2, as well as amorphous and crystalline solid fission product (FP) precipitates within different regions of the fuel cross-section. Regions A and A/B in the center of the fuel were comprised of U-rich, U-intermediate, and U-lean localities with a-U and d-UZr 2 composing the major phases. Regions B and C in the intermediate and peripheral fuel localities, respectively, were comprised of a-U grains, U-rich (ß-U) grains with Zr-rich precipitates, U-intermediate grains (d-UZr2), and solid FP precipitates. The major phases identified were associated with the nanoscopic chemical concentrations, the phase diagram, and the as-characterized specimen temperature, with the exception of the non-equilibrium ß-U phase identified in region B. The U-lean localities in regions A, A/B, B, and C were Zr-enriched pathways along subgrain/grain boundaries. This phenomenon suggests that Zr is susceptible to radiation-induced segregation in U-Zr fuels and indicates a new mechanism for constituent redistribution.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Hierarchical microstructure of Yb-filled skutterudites through ultrasonically atomized spherical powders for enhanced thermoelectric performance

Hierarchical microstructures are widely explored as a strategy to reduce lattice thermal conductivity in thermoelectric materials while preserving favorable electronic transport. Here we demonstrate that ultrasonic atomization of precursor powders provides an intrinsic pathway to generate such architectures in n-type Yb0.3Co4Sb12 skutterudites. Materials were synthesized by both conventional sealed-ampoule and ultrasonic atomization routes, each yielding essentially single-phase skutterudite after densification. However, the atomized spherical powders undergo a distinct reaction-driven microstructural evolution during thermal treatment prior to densification. Electron microscopy reveals that the skutterudite phase within the particles induces swelling, cracking, and fragmentation of the droplets before consolidation. Multimodal structural and microstructural characterizations show that densification of these fragmented powders produces a hierarchical microstructure consisting of submicron grains, micrometer-scale faceted crystallites, and powder-derived domains separated by oxide-decorated boundaries. Comprehensive thermoelectric transport measurements evidence that this multiscale architecture lowers the lattice thermal conductivity while maintaining favorable electronic transport, leading to an average ~10% enhancement in the thermoelectric figure of merit. Complementary 121Sb Mössbauer spectroscopy further indicates lattice softening in the atomized material. These results demonstrate that ultrasonic atomization provides an effective route to engineer hierarchical microstructures in skutterudite thermoelectrics and offers a promising strategy for tailoring thermal transport in energy-conversion materials.

Bouteiller, Hugo [ORNL] (ORCID:0009000421322962)↗
DOE OSTI2025

Development and Validation of Two-Phase Flow Models in MOOSE and Application to Molten Salt Reactors

Two-phase flow in Molten Salt Reactors (MSRs) is important as it impacts reactivity evolution, reactor transient response, and the removal of species dissolved in the molten salt through gas phase transfer. Therefore, accurately predicting the gas distribution and the associated liquid-gas interface area in MSRs is essential for their design and operation. Recently, we integrated a new two-phase model into Idaho National Laboratory (INL)’s Multiphysics Object-Oriented Simulation Environment (MOOSE): a multi-D generalization of a mixture drift-flux model. It provides greater computational efficiency, which is typically preferred for modeling reactor transients. However, the mixture model’s accuracy in capturing void distribution and interfacial area in MSRs still needs to be assessed. This article begins with a description of the mathematical framework for the two-phase model implemented in MOOSE. It then presents validation of these models against relevant experimental data. Finally, the model is applied to the Molten Salt Reactor Experiment case study, analyzing various operational conditions such as different rates of fission product volatilization and diverse cover gas entrainment scenarios at the reactor pump. The article concludes by assessing the suitability of the mixture drift-flux model for capturing the two-phase flow dynamics critical to MSR operations

42 - ENGINEERING↗
DOE OSTI2025

Development and Validation of Two-Phase Flow Models in MOOSE for Molten Salt Reactor Application

Two-phase flow in Molten Salt Reactors (MSRs) is important as it impacts reactivity evolution, reactor transient response, and the removal of species dissolved in the molten salt through gas phase transfer. Therefore, accurately predicting the gas distribution and the associated liquid-gas interface area in MSRs is essential for their design and operation. Recently, we integrated two new models into Idaho National Laboratory (INL)’s Multiphysics Object-Oriented Simulation Environment (MOOSE): a multi-D generalization of a mixture drift-flux model and a Euler-Euler model. The Euler-Euler model offers higher fidelity, while the mixture drift-flux model provides greater computational efficiency, which is typically preferred for modeling reactor transients. However, the mixture model's accuracy in capturing void distribution and interfacial area in MSRs still needs to be assessed. This article begins with a description of the mathematical framework for the two-phase models implemented in MOOSE. It then presents validation of these models against relevant experimental data. Finally, both models are applied to the Molten Salt Reactor Experiment case study, analyzing various operational conditions such as different rates of fission product volatilization and diverse cover gas entrainment scenarios at the reactor pump. The article concludes by assessing the suitability of both models for capturing the two-phase flow dynamics critical to MSR operations.

42 - ENGINEERING↗
DOE OSTI2025

Development and Validation of Two-Phase Flow Models in MOOSE and Application to Molten Salt Reactors

Two-phase flow in Molten Salt Reactors (MSRs) is important as it impacts reactivity evolution, reactor transient response, and the removal of species dissolved in the molten salt through gas phase transfer. Therefore, accurately predicting the gas distribution and the associated liquid-gas interface area in MSRs is essential for their design and operation. Recently, we integrated two new models into Idaho National Laboratory (INL)’s Multiphysics Object-Oriented Simulation Environment (MOOSE): a multi-D generalization of a mixture drift-flux model and a Euler-Euler model. The Euler-Euler model offers higher fidelity, while the mixture drift-flux model provides greater computational efficiency, which is typically preferred for modeling reactor transients. However, the mixture model's accuracy in capturing void distribution and interfacial area in MSRs still needs to be assessed. This article begins with a description of the mathematical framework for the two-phase models implemented in MOOSE. It then presents validation of these models against relevant experimental data. Finally, both models are applied to the Molten Salt Reactor Experiment case study, analyzing various operational conditions such as different rates of fission product volatilization and diverse cover gas entrainment scenarios at the reactor pump. The article concludes by assessing the suitability of both models for capturing the two-phase flow dynamics critical to MSR operations.

42 - ENGINEERING↗
DOE OSTI2021

BISON microstructure-based pulverization criterion in high burnup structure

To improve the economics of commercial nuclear power production, utilities are seeking to increase the allowable burnup limit of UO$_2$ fuel. One of the main factors that contributes to the current burnup limit of 62 GWd/MTU in commercial light water reactors (LWRs) is the risk of fine fragmentation or pulverization during a loss of coolant accident (LOCA). Pulverization primarily occurs at high burnups, especially when the high burnup structure (HBS) has formed. To allow the industry to pursue increased burnup and develop mitigation strategies, it is essential to have improved capability to predict the onset of pulverization. However, the mechanism of pulverization is not well understood, and the existing predictive capabilities implemented in the BISON fuel performance code are empirical in nature. In this report, mesoscale simulations are used to improve understanding of the formation mechanism of the HBS and how it responds during a LOCA transient, and inform development of a BISON pulverization criterion. A phase-field model was used to simulate the evolution of bubble pressure as a result of HBS formation. The simulations showed that gas atoms diffuse from grain interiors to the new grain boundaries created during HBS formation, and diffuse rapidly along these grain boundaries to reach existing bubbles. This causes an increase in bubble pressure in existing bubbles, leading to bubble growth during steady-state operation. To simulate the response of HBS bubbles to a LOCA transient, a newly developed phase-field model was used; in agreement with preliminary results from FY20, bubble size did not change significantly during the duration of the transient. A phase-field fracture model was used to study fragmentation patterns in the HBS, including using input from the phase-field model as initial conditions. Phase-field fracture simulations were used to determine a pulverization criterion for BISON. A function for the critical pressure for pulverization to occur was fit to data from the phase-field fracture simulations, and this function was implemented as a material property in BISON. For comparison, an analytical criterion for pulverization was developed and implemented within the same material property.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

A Model of Grain Boundary Complexion Transitions and Grain Growth in Yttria-Doped Alumina

In this work, we present a physically-parameterized microstructure evolution model for the Yttria-doped alumina system. Yttria-doped alumina is a well-known ceramic system which undergoes first-order phase-like transitions at grain boundaries, which can radically alter interface properties. The change in interfacial properties in turn can radically change microstructure outcomes during processing, including the induction of abnormal grain growth modes. In this work, we develop a simulation that evolves alumina microstructure as a function of yttria concentration and temperature. In the window studied, we achieve strong agreement with reviewed experimental results in identifying the windows for large grains, small grains, abnormal grain growth, and complexion transition kinetics. We then apply the model to study and demonstrate how the possible inclusion of second-phase particles or uneven solute distribution profiles will impact microstructure evolution. It is found that particles do not significantly affect abnormal grain growth in the window studied (but do lead to reduced grain size through pinning effects). It is found that even modest amounts of solute inhomogeneity will result in substantial changes in microstructure outcomes, frequently leading to clusters of abnormal grains. This model largely corroborates the expectations and hypotheses made from recent experimental studies in oxide-doped alumina systems. Further, it is found that there exists a peak transition fraction for the system at which abnormal grain size tends to be maximized.

Grain Growth, Grain Boundary Complexion, abnormal ↗
NASA NTRS2022

Probing the High-energy Gamma-Ray Emission Mechanism in the Vela Pulsar via Phase-resolved Spectral and Energy-dependent Light-curve Modeling

Recent kinetic simulations sparked a debate regarding the emission mechanism responsible for pulsed GeV γ-ray emission from pulsars. Some models invoke curvature radiation, while other models assume synchrotron radiation in the current sheet. We interpret the curved spectrum of the Vela pulsar as seen by H.E.S.S. II (up to ∼100 GeV) and the Fermi Large Area Telescope to be the result of curvature radiation due to primary particles in the pulsar magnetosphere and current sheet. We present phase-resolved spectra and energy-dependent light curves using an extended slot gap and current-sheet model, invoking a step function for the accelerating electric field as motivated by kinetic simulations. We include a refined calculation of the curvature radius of particle trajectories in the lab frame, impacting the particle transport, predicted light curves, and spectra. Our model reproduces the decrease of the flux of the first peak relative to the second one, evolution of the bridge emission, near-constant phase positions of peaks, and narrowing of pulses with increasing energy. We can explain the first of these trends because we find that the curvature radii of the particle trajectories in regions where the second γ-ray light-curve peak originates are systematically larger than those associated with the first peak, implying that the spectral cutoff of the second peak is correspondingly larger. However, an unknown azimuthal dependence of the E field, as well as uncertainty in the precise spatial origin of the GeV emission, precludes a simplistic discrimination of emission mechanisms.

Monica Barnard↗
DOE OSTI2025

Total X-ray scattering and big-box modeling of pressure-induced local disorder and partial amorphization in CsPbBr 3

The mechanisms governing pressure-induced amorphization and its reversibility in halide perovskites are not yet fully understood, particularly the contribution of local disorder. We performed high-pressure synchrotron total X-ray scattering and reverse Monte Carlo (RMC) big-box modeling using CsPbBr 3 as a model system to investigate short-range structural evolution in both the ordered and partially amorphous phases. While diffraction data indicate that long-range order persists up to 2 GPa, pair distribution function (PDF) analysis reveals significant local distortions, including PbBr 6 octahedral tilting and Cs displacement, which influence the bandgap through a complex interplay between bond compression and angular tilting. Beyond 2 GPa, CsPbBr 3 undergoes partial amorphization, with significant disordering of Cs and Br, while the Pb sublattice remains preserved, allowing for structural recovery upon decompression. Our work, accounting for both short- and long-range structural evolution through RMC modeling, successfully captures how disorder shapes the structural response of halide perovskites under pressure.

critical phenomena↗