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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Transport, correlations, and chaos in a classical disordered anharmonic chain

Here, we explore transport properties in a disordered nonlinear chain of classical harmonic oscillators, and thereby identify a regime exhibiting behavior analogous to that seen in quantum many-body-localized systems. Through extensive numerical simulations of this system connected at its ends to heat baths at different temperatures, we computed the heat current and the temperature profile in the nonequilibrium steady state as a function of system size $\textit{N}$, disorder strength Δ, and temperature $\textit{T}$. The conductivity $κ_N$, obtained for finite length ($\textit{N}$), saturates to a value $κ_∞$ > 0 in the large $\textit{N}$ limit, for all values of disorder strength Δ and temperature $\textit{T}$ > 0. We show evidence that for any Δ > 0 the conductivity goes to zero faster than any power of $\textit{T}$ in the ($\textit{T}$/Δ) → 0 limit, and find that the form $κ_∞$ ~ $e^{{–B|\text{ln}(CΔ/T)|}^{3}}$ fits our data. This form has earlier been suggested by a theory based on the dynamics of multioscillator chaotic islands. The finite-size effect can be $κ_N < κ_∞$ due to boundary resistance when the bulk conductivity is high (the weak disorder case), or $κ_N > κ_∞$ due to direct bath-to-bath coupling through bulk localized modes when the bulk is weakly conducting (the strong disorder case). We also present results on equilibrium dynamical correlation functions and on the role of chaos on transport properties. Finally, we explore the differences in the growth and propagation of chaos in the weak and strong chaos regimes by studying the classical version of the out-of-time-ordered commutator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Using Homogenized Models to Explore the Effect of Fracture Densities on Weathering

Despite its importance, only a few researchers have incorporated the effects of fracturing into models of reactive transport for rock weathering. Here we explore 2D simulations that describe weathering under conditions of diffusive and advective transport within heterogeneous media consisting of rocky blocks and fractures. In our simulations, the Darcy velocities vary in space and time and depend on weathering processes within the rock matrix. We explore simulations with saturated and unsaturated flow for weathering bedrock that consists of blocks separated by inert or weathered material. The simulations show that a simplified homogenized model can approximate exact solutions for some of the simulated columns and hills and can allow exploration of coupling between flow and reaction in fractured rock. These hillslope simulations document that, even in the presence of 2D water flow, i) an increase in fracture density results in faster weathering advance rates; and ii) the water table locates deeper for a rock system that is weathered and fractured rather than weathered and unfractured. Some of these patterns have also been observed for natural systems. But these simulations also highlight how simplified models that do not use appropriate averaging of heterogeneities can be inaccurate in predicting weathering rate for natural systems. For example, if water flows both vertically and laterally through the vadose zone of a hill, then a prediction of the depth of regolith that is based on modeling strictly unidirectional downward infiltration will be unrealistically large. Likewise, if the fracture density observed near the land surface is used in a model to predict depth of weathering for a system where the fracture density decreases downward, the model will overestimate regolith depth. Learning how to develop accurately homogenized models could thus enable better conceptual models and predictions of weathering advance in natural systems.

58 GEOSCIENCES↗
DOE OSTI2025

Numerical Simulation Studies of Ultrasonic De-Icing for Heating, Ventilation, Air Conditioning, and Refrigeration Structures

Ice accumulation on heating, ventilation, air conditioning, and refrigeration (HVACR) structures presents significant operational challenges. These challenges include reduced efficiency, increased energy consumption, and potential damage to equipment. Traditional de-icing methods, such as chemical treatments, mechanical scraping, or heating-based techniques, are often labor-intensive, costly, and environmentally harmful. Here, this study uniquely investigates ultrasonic de-icing as an energy-efficient alternative for HVACR applications, focusing on the specific structural geometries found in these systems. A comprehensive numerical simulation framework was developed using finite element analysis to explore ultrasonic wave propagation across four distinct HVACR structures. Key parameters such as ultrasonic frequency, power levels, and the number and placement of actuators were examined for their impact on ice detachment efficiency. Results from simulations on a plate structure reveal that ultrasonic excitation can propagate effectively across large areas (at least 150 × 150 mm), enhancing the de-icing coverage. Lower frequency (e.g., 30 to 45 kHz) excitation results in greater displacement, improving de-icing performance, while increased actuator numbers with the same total power input also enhance effectiveness. Two actuators seem sufficient for the de-icing of a 300 × 300 mm plate. For tube-and-fin structures, specific high-power ultrasonic frequencies selectively excite the fin plates, demonstrating efficient ice removal when actuated on the tube. However, optimal performance requires careful design of actuator placement and vibration modes to accommodate the irregular shapes of these structures.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Constraints on the Electromagnetic Counterpart of the Neutron-star–Black-hole Merger GW200115

We report the results of our follow-up campaign for the neutron-star—black-hole (NSBH) merger GW200115 detected during the O3 run of the Advanced LIGO and Advanced Virgo detectors. We obtained wide-field observations with the Deca-Degree Optical Transient Imager covering ~20% of the total probability area down to a limiting magnitude of w = 20.5 AB at ~23 hr after the merger. Our search for counterparts returns a single candidate (AT2020aeo), likely not associated with the merger. In total, only 25 sources of interest were identified by the community and later discarded as unrelated to the GW event. We compare our upper limits with the emission predicted by state-of-the-art kilonova simulations and disfavor high-mass ejecta (>0.1 M⊙), indicating that the spin of the system is not particularly high. By combining our optical limits with gamma-ray constraints from Swift and Fermi, we disfavor the presence of a standard short-duration burst for viewing angles ≲15° from the jet axis. Our conclusions are, however, limited by the large localization region of this GW event, and accurate prompt positions remain crucial to improving the efficiency of follow-up efforts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Handing off the outcome of binary neutron star mergers for accurate and long-term postmerger simulations

In this work, we perform binary neutron star (BNS) merger simulations in full dynamical general relativity with IllinoisGRMHD, on a Cartesian grid with adaptive-mesh refinement. After the remnant black hole has become nearly stationary, the evolution of the surrounding accretion disk on Cartesian grids over long timescales (~1s) is suboptimal, as Cartesian coordinates over-resolve the angular coordinates at large distances, and the accreting plasma flows obliquely across coordinate lines dissipating angular momentum artificially from the disk. To address this, we present the HandOff, a set of computational tools that enables the transfer of general relativistic magnetohydrodynamic (GRMHD) and spacetime data from IllinoisGRMHD to harm3d, a GRMHD code that specializes in modeling black hole accretion disks in static spacetimes over long timescales, making use of general coordinate systems with spherical topology. We demonstrate that the handoff allows for a smooth and reliable transition of GRMHD fields and spacetime data, enabling us to efficiently and reliably evolve BNS dynamics well beyond merger. We also discuss future plans, which involve incorporating advanced equations of state and neutrino physics into BNS simulations using the HandOff approach.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Efficient Mesofluidic Separation of Large Particles in nuclear slurries - 20408

Efficient and effective particle separation is essential to cleanup of many nuclear wastes. For example, particle separation may be used to accelerate settle-decant bottlenecks that limit the throughput necessary to achieve the U.S. Department of Energy waste cleanup mission in a timely manner. Particle separation may be used to protect downstream processing equipment from pulses of solids that may be encountered near (within a few feet of) liquid-solid interfaces during waste transfer operations, thereby preventing work stoppages. Effective particle separation may permit efficient sludge washing. These are only a few of the ways in which particle separation is important. Yet, efficient and effective particle separation in nuclear processing environments remains challenging. For example, settle-decant operations permit larger and heavier particles to settle, leaving smaller, lighter particles suspended. However, settle-decant operations are slow, convection currents may resuspend solids, hindered settling of multicomponent slurries remains incompletely understood, and predictive models for settling in graduated cylinders fail to match limited observations of settling in large waste tanks. Additionally, pumping operations can cause turbulent resuspension of particles when the pump intake is close to the settled solids layer. Filtration techniques that use membranes or partially permeable barriers retain larger particles, permitting smaller particles to permeate. However, filters, including dead-end filtration, are prone to clogging and caking, operate at elevated pressures due to minimal void volume, and increase in pressure during operations, which require more control systems. Therefore, the need for high throughput particle separation techniques that operate with modest pressure drops persists. A novel mesofluidic separator presents the opportunity to effectively and efficiently accelerate the waste cleanup mission. The separator separates large particles from process streams across a broad range of particle sizes and has no moving parts or media to replace, regenerate, or clean. This separator design has an unusually large void volume, permitting operation at much higher flow rates (and lower pressures) than traditional filtration (e.g., dead-end filtration). Industrial-scale flow rates have been demonstrated. In performance testing, mesofluidic separators operate at might flow rates (>90 gpm (0.0006 m{sup 3}/s) in piping 3 inches (0.08 m) in diameter; Re>10{sup 5}), with modest pressure drop (∼25 psi (170 KPa) in testing). In complex, aggregating waste simulants, the separator loses <25% of flow projected over months without back pulsing or chemical cleaning. Mesofluidic separation presents infrastructure advantages, reduces risk, and provides mission impact. Infrastructure advantages include implementation within existing transfer systems, plug and play without facility modifications to safety systems, and operation at low pressures. The separator is flexible in location, may be positioned within or outside of waste tanks, and may replace or augment dead-end and cross-flow filters. Mesofluidic separation reduces risk by minimizing waste (no media to replace or regenerate and no cleaning chemicals to handle and dispose) and by minimizing filter change-out consistent with as low as reasonably achievable (ALARA) exposure to workers. The potential mission impact of these separators is substantial. The separator has potential to support, simplify, and accelerate in-farm transfers and waste feed delivery. Furthermore, the separator can free up settling and holding tanks in the Direct Feed Low-Activity Waste (DFLAW) mission by reducing or eliminating post-transfer settling and wait times with the potential to free up 1 Mgal (4000 m{sup 3}) of double-shell tank space. This paper quantitatively compares mesofluidic separation to dead-end filtration, discusses scale-up results, and considers the separator's potential to efficiently and effectively reduce the long-term environmental ability of particulate-rich nuclear wastes. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Effects of Subhalos on Interpreting Highly Magnified Sources Near Lensing Caustics

Large magnification factors near gravitational lensing caustics of galaxy-cluster lenses allow the study of individual stars or compact stellar associations at cosmological distances. We study how the presence of sub-galactic subhalos, an inevitable consequence of cold dark matter, can alter the property of caustics and hence change the interpretation of highly magnified sources that lie atop them. First, we consider a galaxy-cluster halo populated with subhalos sampled from a realistic subhalo mass function calibrated to N-body simulations. Then, we compare a semianalytical approximation and an adaptive ray-shooting method that we employ to quantify the property of the caustics. As a case study, we investigate Earendel, a z = 6.2 candidate of magnified single- or multiple-star system with a lone lensed image atop the critical curve in the Sunrise Arc. We find that the source size constraint (≲0.3 pc) previously derived from macrolens models should be relaxed by a factor of a few to 10 when subhalos are accounted for, therefore allowing the possibility of a compact star cluster. The subhalos could introduce an astrometric perturbation that is ≲0$^{"}_{.}$5, which does not contradict observation. These conclusions are largely robust to changes in the subhalo population. Subhalos therefore should be seriously accounted for when interpreting the astrophysical nature of similar highly magnified sources uncovered in recent high-z observations.

Caustic curve↗
DOE OSTI2020

Plate motion in sheared granular fault system

Plate motion near the fault gouge layer, and the elastic interplay between the gouge layer and the plate under stick-slip conditions, is key to understanding the dynamics of sheared granular fault systems. Here, a two-dimensional implementation of the combined finite-discrete element method (FDEM), which merges the finite element method (FEM) and the discrete element method (DEM), is used to explicitly simulate a sheared granular gouge fault system. In this work we focus on investigating the influence of normal load, driving shear velocity and plate stiffness on the velocities and displacements in the direction parallel to the shear direction (x-direction) measured at locations on the upper and lower plates just adjacent to the gouge. The simulations show that during slip phases the magnitudes of the measured velocities on the upper and lower plates are proportional to the normal load and may be inversely proportional to the square root of the plate's shear modulus. Whereas, the driving shear velocity does not show distinct influence on the measured velocities. Additionally, large slip velocities are generally associated with large macroscopic friction coefficient drops. For the models subjected to smaller normal loads, larger shear velocities and with stiffer shear plates, the same magnitude of slip velocity could cause a larger drop of macroscopic friction coefficient. During stick phases, the velocities of the upper and lower plates are respectively slightly greater and slightly smaller than half of the driving shear velocity and are both in the same direction of shear. The shear strain rate of the gouge is calculated from this velocity difference between the upper and lower plate during stick phases and thus the gouge effective shear modulus can be calculated. The results show that the gouge effective shear modulus increases proportionally with normal load, while the influence of shear velocity and plate stiffness on gouge effective shear modulus is minor. The simulations address the dynamics of a laboratory-scale fault gouge system and may aid in revealing the complexities of earthquake frictional dynamics.

58 GEOSCIENCES↗
DOE OSTI2023

Subordinated Gaussian Processes for Solar Irradiance

Traditionally the power grid has been a one-way street with power flowing from large transmission-connected generators through the distribution network to consumers. This paradigm is changing with the introduction of distributed renewable energy resources (DERs), and with it, the way the grid is managed. There is currently a dearth of high fidelity solar irradiance datasets available to help grid researchers understand how expansion of DERs could affect future power system operations. Realistic simulations of by-the-second solar irradiances are needed to study how DER variability affects the grid. Irradiance data are highly non-stationary and non-Gaussian, and even modern time series models are challenged by their distributional properties. We develop a subordinated non-Gaussian stochastic model whose simulations realistically capture the distribution and dependence structure in measured irradiance. We illustrate our approach on a fine resolution dataset from Hawaii, where our approach outperforms standard nonlinear time series models.

MATHEMATICS AND COMPUTING,SOLAR ENERGY↗
DOE OSTI2020

Uncertainty analysis of correlated parameters in automated reaction mechanism generation

Abstract Uncertainty analysis is a useful tool for inspecting and improving detailed kinetic mechanisms because it can identify the greatest sources of model output error. Owing to the very nonlinear relationship between kinetic and thermodynamic parameters and computed concentrations, model predictions can be extremely sensitive to uncertainties in some parameters while uncertainties in other parameters can be irrelevant. Error propagation becomes even more convoluted in automatically generated kinetic models, where input uncertainties are correlated through kinetic rate rules and thermodynamic group values. Local and global uncertainty analyses were implemented and used to analyze error propagation in Reaction Mechanism Generator (RMG), an open‐source software for generating kinetic models. A framework for automatically assigning parameter uncertainties to estimated thermodynamics and kinetics was created, enabling tracking of correlated uncertainties. Local first‐order uncertainty propagation was implemented using sensitivities computed natively within RMG. Global uncertainty analysis was implemented using adaptive Smolyak pseudospectral approximations as implemented in the MIT Uncertainty Quantification Library to efficiently compute and construct polynomial chaos expansions to approximate the dependence of outputs on a subset of uncertain inputs. Cantera was used as a backend for simulating the reactor system in the global analysis. Analyses were performed for a phenyldodecane pyrolysis model. Local and global methods demonstrated similar trends; however, many uncertainties were significantly overestimated by the local analysis. Both local and global analyses show that correlated uncertainties based on kinetic rate rules and thermochemical groups drastically reduce a model's degrees of freedom and have a large impact on the determination of the most influential input parameters. These results highlight the necessity of incorporating uncertainty analysis in the mechanism generation workflow.

Gao, Connie W.↗
DOE OSTI2020

Demonstration of cooling by the Muon Ionization Cooling Experiment

The use of accelerated beams of electrons, protons or ions has furthered the development of nearly every scientific discipline. However, high-energy muon beams of equivalent quality have not yet been delivered. Muon beams can be created through the decay of pions produced by the interaction of a proton beam with a target. Such ‘tertiary’ beams have much lower brightness than those created by accelerating electrons, protons or ions. High-brightness muon beams comparable to those produced by state-of-the-art electron, proton and ion accelerators could facilitate the study of lepton–antilepton collisions at extremely high energies and provide well characterized neutrino beams. Such muon beams could be realized using ionization cooling, which has been proposed to increase muon-beam brightness. Here we report the realization of ionization cooling, which was confirmed by the observation of an increased number of low-amplitude muons after passage of the muon beam through an absorber, as well as an increase in the corresponding phase-space density. The simulated performance of the ionization cooling system is consistent with the measured data, validating designs of the ionization cooling channel in which the cooling process is repeated to produce a substantial cooling effect. The results presented here are an important step towards achieving the muon-beam quality required to search for phenomena at energy scales beyond the reach of the Large Hadron Collider at a facility of equivalent or reduced footprint.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Gapless spin liquid and pair density wave of the Hubbard model on three-leg triangular cylinders

We study the ground state properties of the Hubbard model on three-leg triangular cylinders using large-scale density-matrix renormalization group simulations. At half-filling, we identify an intermediate gapless spin liquid phase, which has one gapless spin mode and algebraic spin–spin correlations but exponential decay scalar chiral–chiral correlations, between a metallic phase at weak coupling and Mott insulating dimer phase at strong interaction. Upon light doping the gapless spin liquid, the system exhibits power-law charge-density-wave (CDW) correlations but short-range single-particle, spin–spin, and chiral–chiral correlations. Similar to CDW correlations, the superconducting correlations also decay in power-law but oscillate in sign as a function of distance, which is consistent with the striped pair-density wave. When further doping the gapless spin liquid phase or doping the dimer order phase, another phase takes over, which has similar CDW correlations but all other correlations decay exponentially.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Distributed deep reinforcement learning for simulation control

Abstract Several applications in the scientific simulation of physical systems can be formulated as control/optimization problems. The computational models for such systems generally contain hyperparameters, which control solution fidelity and computational expense. The tuning of these parameters is non-trivial and the general approach is to manually ‘spot-check’ for good combinations. This is because optimal hyperparameter configuration search becomes intractable when the parameter space is large and when they may vary dynamically. To address this issue, we present a framework based on deep reinforcement learning (RL) to train a deep neural network agent that controls a model solve by varying parameters dynamically. First, we validate our RL framework for the problem of controlling chaos in chaotic systems by dynamically changing the parameters of the system. Subsequently, we illustrate the capabilities of our framework for accelerating the convergence of a steady-state computational fluid dynamics solver by automatically adjusting the relaxation factors of the discretized Navier–Stokes equations during run-time. The results indicate that the run-time control of the relaxation factors by the learned policy leads to a significant reduction in the number of iterations for convergence compared to the random selection of the relaxation factors. Our results point to potential benefits for learning adaptive hyperparameter learning strategies across different geometries and boundary conditions with implications for reduced computational campaign expenses 4 4 Data and codes available at https://github.com/Romit-Maulik/PAR-RL . .

42 ENGINEERING↗
DOE OSTI2021

Deciphering the R Ψ m correlator in search for the chiral magnetic effect in relativistic heavy ion collisions

The chiral magnetic effect (CME) is extensively studied in heavy-ion collisions at the BNL Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC). An azimuthal correlator called R Ψ m was proposed to measure the CME. By observing the same R Ψ 2 and R Ψ 3 (convex) distributions from A Multi-Phase Transport (ampt) model, by contrasting data and model as well as large and small systems and by event shape engineering (ESE), a recent preprint (arXiv:2006.04251v1) from STAR suggests that the R Ψ m observable is sensitive to the CME signal and relatively insensitive to backgrounds, and their Au + Au data are inconsistent with known background contributions. Our ampt results contradict those from a recent preprint by STAR. Our toy model simulations demonstrate that R Ψ 2 is sensitive to both the CME signal and physics backgrounds. Toy model simulations of isobar collisions show similar centrality dependence and magnitudes for the relative R Ψ 2 strengths as well as the relative Δ γ strengths. We conclude that R Ψ 2 and the inclusive Δ γ are essentially the same.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

O 16 O 16 collisions at energies available at the BNL Relativistic Heavy Ion Collider and at the CERN Large Hadron Collider comparing α clustering versus substructure

Collisions of . light and heavy nuclei in relativistic heavy-ion collisions have been shown to be sensitive to nuclear structure. With a proposed 16 O 16 O run at the CERN Large Hadron Collider (LHC) and at the BNL Relativistic Heavy Ion Collider (RHIC) we study the potential for finding α clustering in 16 O. Here we use the state-of-the-art iEBE-VISHNU package with 16 O nucleonic configurations from ab initio nuclear lattice simulations. This setup was tuned using a Bayesian analysis on p Pb and PbPb systems. We find that the 16 O 16 O system always begins far from equilibrium and that at LHC and RHIC it approaches the regime of hydrodynamic applicability only at very late times. Finally, by taking ratios of flow harmonics we are able to find measurable differences between α-clustering, nucleonic, and subnucleonic degrees of freedom in the initial state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Transmission Capacity Allocation in Zonal Electricity Markets

In this work, we propose a novel framework for modeling zonal electricity markets, based on projecting the constraints of the nodal network onto the space of the zonal aggregation of the network. The framework avoids circular definitions and discretionary parameters, which are recurrent in the implementation and study of zonal markets. Using this framework, we model and analyze two zonal market designs currently present in Europe: flow-based market coupling (FBMC) and available-transfer-capacity market coupling (ATCMC). We develop cutting-plane algorithms for simulating FBMC and ATCMC while accounting for the robustness of imports/exports to single element failures, and we conduct numerical simulations of FBMC and ATCMC on a realistic instance of the Central Western European system under the equivalent of 100 years of operating conditions. We find that FBMC and ATCMC are unable to anticipate the congestion of branches interconnecting zones and branches within zones and that both zonal designs achieve similar overall cost efficiencies (0.01% difference), whereas a nodal market design largely outperforms both of them (5.09% better than FBMC). These findings raise the question of whether it is worth it for more European countries to switch from ATCMC to FBMC, instead of advancing directly toward a nodal market design.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Memcomputing the Spectrum of Correlated Quantum Systems

The goals and objectives of the grant DE‐SC0020892 were to apply a new computing paradigm, MemComputing, to efficiently simulate properties of correlated quantum systems. The method has been applied to a wide set of problems ranging from quantum state tomography to finding the ground state of correlated systems. In all cases, substantial advantages compared to state-of-the-art approaches have been obtained. The project has also led to the suggestion of the transformer architecture (used nowadays in large-language models) as an efficient quantum state representation, and a better understanding of the role of memory in the generation of long-range order in neural networks. This grant has supported the work of a PhD student, inspired a new class on unconventional computing taught at the University of California, San Diego and has generated several peer-reviewed papers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A multilayer multi-configurational approach to efficiently simulate large-scale circuit-based quantum computers on classical machines

Here, a multilayer multi-configurational theory framework is adapted to simulate circuit-based quantum computers. Quantum addition of superpositions of an exponential number of summands is performed in polynomial time with high accuracy. We demonstrate numerically accurate calculations including up to one million qubits for entangling benchmarks. Simulation cost can be assessed by entropy-based entanglement measures. For the considered systems, we show that the entanglement only grows weakly with the system size. The present simulations demonstrate how quantum algorithms in low-entropy regimes can be used efficiently on classically simulated quantum computers.

97 MATHEMATICS AND COMPUTING↗