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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 37 records · Page 2

Multiscale Normalizing Flows for Gauge Theories

Scale separation is an important physical principle that has previously enabled algorithmic advances such as multigrid solvers. Previous work on normalizing flows has been able to utilize scale separation in the context of scalar field theories, but the principle has been largely unexploited in the context of gauge theories. This work gives an overview of a new method for generating gauge fields using hierarchical normalizing flow models. This method builds gauge fields from the outside in, allowing different parts of the model to focus on different scales of the problem. Numerical results are presented for $U(1)$ and $SU(3)$ gauge theories in 2, 3, and 4 spacetime dimensions.

Abbott, Ryan↗

Theory-based scaling laws of near and far scrape-off layer widths in single-null L-mode discharges

Abstract Theory-based scaling laws of the near and far scrape-off layer (SOL) widths are analytically derived for L-mode diverted tokamak discharges by using a two-fluid model. The near SOL pressure and density decay lengths are obtained by leveraging a balance among the power source, perpendicular turbulent transport across the separatrix, and parallel losses at the vessel wall, while the far SOL pressure and density decay lengths are derived by using a model of intermittent transport mediated by filaments. The analytical estimates of the pressure decay length in the near SOL is then compared to the results of three-dimensional, flux-driven, global, two-fluid turbulence simulations of L-mode diverted tokamak plasmas, and validated against experimental measurements taken from an experimental multi-machine database of divertor heat flux profiles, showing in both cases a very good agreement. Analogously, the theoretical scaling law for the pressure decay length in the far SOL is compared to simulation results and to experimental measurements in TCV L-mode discharges, pointing out the need of a large multi-machine database for the far SOL decay lengths.

Physics↗

Homogenous Surface Nucleation of Solid Polar Stratospheric Cloud Particles

A general surface nucleation rate theory is presented for the homogeneous freezing of crystalline germs on the surfaces of aqueous particles. While nucleation rates in a standard classical homogeneous freezing rate theory scale with volume, the rates in a surface-based theory scale with surface area. The theory is used to convert volume-based information on laboratory freezing rates (in units of cu cm, seconds) of nitric acid trihydrate (NAT) and nitric acid dihydrate (NAD) aerosols into surface-based values (in units of sq cm, seconds). We show that a surface-based model is capable of reproducing measured nucleation rates of NAT and NAD aerosols from concentrated aqueous HNO3 solutions in the temperature range of 165 to 205 K. Laboratory measured nucleation rates are used to derive free energies for NAT and NAD germ formation in the stratosphere. NAD germ free energies range from about 23 to 26 kcal mole, allowing for fast and efficient homogeneous NAD particle production in the stratosphere. However, NAT germ formation energies are large (greater than 26 kcal mole) enough to prevent efficient NAT particle production in the stratosphere. We show that the atmospheric NAD particle production rates based on the surface rate theory are roughly 2 orders of magnitude larger than those obtained from a standard volume-based rate theory. Atmospheric volume and surface production of NAD particles will nearly cease in the stratosphere when denitrification in the air exceeds 40 and 78%, respectively. We show that a surface-based (volume-based) homogeneous freezing rate theory gives particle production rates, which are (not) consistent with both laboratory and atmospheric data on the nucleation of solid polar stratospheric cloud particles.

Tabazadeh, A.↗

Scale-covariant theory of gravitation and astrophysical applications

Generalized Einstein equations invariant under scale transformations are presented, and several astrophysical tests studied. It is assumed that the dynamics of atoms or clocks used as measuring apparatus is given a priori. Connection with gauge fields and broken symmetries is made through the cosmological constant.

Canuto, V.↗

Tensor Hypercontraction of Cluster Perturbation Theory: Quartic Scaling Perturbation Series for the Coupled Cluster Singles and Doubles Ground-State Energies

Even though Cluster Perturbation has been shown to be a robust non-iterative alternative to Coupled Cluster Theory, it is still plagued by high order polynomial computational scaling and the storage of higher order tensors. Here we present a proof-of-concept strategy for implementing Cluster Perturbation Theory ground state energy series for the coupled cluster singles and doubles energy with N 4 computational scaling using Tensor Hypercontraction (THC). The reduction in computational scaling by two orders is achieved by decomposing two electron repulsion integrals, doubles amplitudes and multipliers, as well as selected doubles intermediates to Tensor Hypercontraction format. Using the outlined strategy, we showcase that the Tensor Hypercontraction pilot implementations retain numerical accuracy to within 1 kcal/mol relative to corresponding conventional and density fitting implementations and we empirically verify the N 4 scaling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Machine Learning Approaches to Predicting Induced Seismicity and Imaging Geothermal Reservoir Properties

This project developed machine learning (ML) methods, lab data sets, and field data to advance geothermal exploration and geothermal energy production. The work had three focus areas. One involved the development of ML methods to use microearthquakes (MEQs) for imaging geothermal reservoir properties and improving subsurface characterization – most importantly the evolution of permeability within the evolving reservoir. This part of the work included development of ML approaches for automated MEQ location, focal mechanism determination and identification of earthquake precursors. The second area focused on using MEQ signals generated by geothermal exploration and production to predict the relationship between fluid injection and seismicity. Here, we extended to reservoir scale our success in using ML to predict laboratory earthquakes and fault zone stress state. The third focus area was on lab experiments. Here, we developed new ML models for lab earthquake prediction and identification of precursors to failure to improve earthquake forecasting and early warning in geothermal settings. Major outcomes of our work include ML models that learn from MEQ signals during geothermal exploration and production to predict induced seismicity. MEQs occur naturally in connection with drilling and energy production. We developed ML methods to use the seismic waves from these events to characterize the elastic, hydraulic and poromechanical properties of reservoirs. Our work illuminated fracture geometry and the evolution of fracture permeability by incorporating seismic coda wave analysis and ML methods to relate fluid injection and seismicity. We significantly expanded laboratory earthquake prediction to include methods that use both passive measurements of microearthquakes within the lab fault zones and also active source acoustic measurements of fault zone elastic properties. These methods can now predict fault zone stress state, time to failure and the magnitude of lab earthquakes. Our work showed that repetitive stick- slip failure events during frictional sliding (the lab equivalent of earthquakes) are preceded by a cascade of micro-failure events that radiate energy in a manner that foretells unstable failure – manifest as laboratory MEQs. We documented a mapping between fracture properties and statistical attributes of elastic radiation. We extended existing works to geothermal reservoir scale and developed ML methods to determine reservoir permeability, fracture properties, and their evolution during geothermal energy production. An attractive feature of ML algorithms is their ability to handle big datasets and reveal patterns and correlations that may remain invisible to conventional analyses. Our work connected data from field, laboratory and intermediate scales to study permeability, stress, strength, fracture stiffness and geometry. At the field scale we used data from the Newberry Volcano field site, UtahFORGE, EGS Collab, and also the Bedretto underground research lab in Switzerland. These data sets are bridging the gap between the lab scale, theory, and reservoir scale. Our work produced plain language summaries to improve public understanding of DOE research. We also developed openly distributed ML and seismicity datasets for use by all researchers and we published connections between induced seismicity in geothermal areas and reservoir properties including permeability, fracture properties, and stress state. Our models are designed for the large data sets of induced seismicity typically associated with geothermal sites. We produced labeled event catalogs and used them on geothermal data to assess how ML can facilitate geothermal production and exploration. All datasets are available on the GDR Productivity: The project produced 32 publications in peer reviewed journals (two are in review). It supported the work of 6 PhD students, 40 conference presentations, 6 keynote talks at national meetings, and mentoring and professional development for 4 postdoctoral fellows.

15 GEOTHERMAL ENERGY↗

Tensor network study of the m = 1/2 magnetization plateau in the Shastry-Sutherland model at finite temperature

The two-dimensional infinite projected entangled pair state tensor network is evolved in imaginary time with the full update (FU) algorithm to simulate the Shastry-Sutherland model in a magnetic field at finite temperature directly in the thermodynamic limit. We focus on the phase transition into the m = 1/2 magnetization plateau, which was observed in experiments on SrCu 2 (BO 3 ) 2 . For the largest simulated bond dimension, the early evolution in the high-temperature regime is simulated with the simple update (SU) scheme and then, as the correlation length increases, continued with the FU scheme towards the critical regime. We apply a small symmetry-breaking bias field and then extrapolate towards zero bias using a simple scaling theory in the bias field. The combined SU + FU scheme provides an accurate estimate of the critical temperature, even though the results could not be fully converged in the bond dimension in the vicinity of the transition. Here, the critical temperature estimate is improved with a generalized scaling theory that combines two divergent length scales: One due to the bias, and the other due to the finite bond dimension. The obtained results are consistent with the transition being in the universality class of the two-dimensional classical Ising model. The estimated critical temperature is 3.5(2) K, which is well above the temperature 2.1 K used in the experiments.

2-dimensional systems↗

Particle–Continuum Coupling and its Scaling Regimes: Theory and Applications

Abstract This work is motivated by the goal of designing simulation software for technical devices that, at their functional core, rely on atomistic‐scale processes embedded in a larger‐scale fluid environment. The core of the problem is the conceptual and technical approach for coupling particle and continuum representations of a fluid. The state of the art for key aspects including physical modeling, mathematical formalization, computational implementation, and applications, is discussed and organized in a consistent picture across the relevant physical regimes.

Delle Site, Luigi↗

Neural network acceleration of large-scale structure theory calculations

Here, we make use of neural networks to accelerate the calculation of power spectra required for the analysis of galaxy clustering and weak gravitational lensing data. For modern perturbation theory codes, evaluation time for a single cosmology and redshift can take on the order of two seconds. In combination with the comparable time required to compute linear predictions using a Boltzmann solver, these calculations are the bottleneck for many contemporary large-scale structure analyses. Here, we construct neural network-based surrogate models for Lagrangian perturbation theory (LPT) predictions of matter power spectra, real and redshift space galaxy power spectra, and galaxy-matter cross power spectra that attain ~ 0.1% (at one sigma) accuracy over a broad range of scales in a ωCDM parameter space. The neural network surrogates can be evaluated in approximately one millisecond, a factor of 1000 times faster than the full Boltzmann code and LPT computations. In a simulated full-shape redshift space galaxy power spectrum analysis, we demonstrate that the posteriors obtained using our surrogates are accurate compared to those obtained using the full LPT model. We make our surrogate models public at https://github.com/sfschen/EmulateLSS, so that others may take advantage of the speed gains they provide to enable rapid iteration on analysis settings, something that is essential in complex contemporary large-scale structure analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

Dynamical System Scaling Application to Zircaloy Cladding Thermal Response During Reactivity-Initiated Accident Experiment

New fuel design and development currently requires 20 to 25 years to be qualified for use by the nuclear power industry. The thermal-hydraulics community has taken advantage of scaling theory to design reduced scale experiments that correctly preserve dominant key phenomena while quantifying distorted phenomena. These techniques can be leveraged in the design and analysis of fuel performance experiments to help reduce the timeline associated with fuel design and development. This study uses the Dynamical System Scaling (DSS) method to analyze cladding temperature data from the recent SETH-C experiment in the TREAT facility and accompanying BISON simulations to assess dynamic distortions occurring throughout the fast power excursion transient. The DSS analysis revealed that on the cool down from peak cladding temperature that the fuel radial power profile is the most sensitive modeling parameter with a heterogenous radial peaking factor corresponding to the lowest distortion compared to a uniform energy deposition. For the heat up to peak cladding temperature the heterogeneous radial power profile corresponded to the shortest process action. Finally, for the heat up to peak cladding temperature, the gap conductance model sensitivity was quantified using process action and shows that the default Light Water Reactor gap conductance model corresponded to the longest process action.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Centrifuge impact cratering experiments: Scaling laws for non-porous targets

A geotechnical centrifuge was used to investigate large body impacts onto planetary surfaces. At elevated gravity, it is possible to match various dimensionless similarity parameters which were shown to govern large scale impacts. Observations of crater growth and target flow fields have provided detailed and critical tests of a complete and unified scaling theory for impact cratering. Scaling estimates were determined for nonporous targets. Scaling estimates for large scale cratering in rock proposed previously by others have assumed that the crater radius is proportional to powers of the impactor energy and gravity, with no additional dependence on impact velocity. The size scaling laws determined from ongoing centrifuge experiments differ from earlier ones in three respects. First, a distinct dependence of impact velocity is recognized, even for constant impactor energy. Second, the present energy exponent for low porosity targets, like competent rock, is lower than earlier estimates. Third, the gravity exponent is recognized here as being related to both the energy and the velocity exponents.

Schmidt, Robert M.↗

Modeling of Inhomogeneous Compressible Turbulence Using a Two-Scale Statistical Theory

Turbulence modeling plays an important role in the study of high-speed flows in engineering and aerodynamic problems; they include flows in supersonic combustion engines and over hypersonic transport aircraft. The enhancement of the kinetic energy dissipation by the dilatational terms is one of the typical compressibility effects. Zeman (1990) and Sarkar et al. (1991) proposed that the dilatation dissipation is proportional to the solenoidal dissipation and is a function of the turbulent Mach number. Sarkar (1992) also modeled the pressure-dilatation correlation using the turbulent Mach number. Zeman (1991) related the correlation to the rate of change of the pressure variance.

Hamba, Fujihiro↗

Search for new physics using effective field theory in 13 TeV pp collision events that contain a top quark pair and a boosted Z or Higgs boson

A data sample containing top quark pairs ($\mathrm{t\bar{t}}$) produced in association with a Lorentz-boosted Z or Higgs boson is used to search for signs of new physics using effective field theory. The data correspond to an integrated luminosity of 138 fb$^{-1}$ of proton-proton collisions produced at a center-of-mass energy of 13 TeV at the LHC and collected by the CMS experiment. Selected events contain a single lepton and hadronic jets, including two identified with the decay of bottom quarks, plus an additional large-radius jet with high transverse momentum identified as a Z or Higgs boson decaying to a bottom quark pair. Machine learning techniques are employed to discriminate between $\mathrm{t\bar{t}}$Z or $\mathrm{t\bar{t}}$H events and events from background processes, which are dominated by $\mathrm{t\bar{t}}$ + jets production. No indications of new physics are observed. The signal strengths of boosted $\mathrm{t\bar{t}}$Z and $\mathrm{t\bar{t}}$H production are measured, and upper limits are placed on the $\mathrm{t\bar{t}}$Z and $\mathrm{t\bar{t}}$H differential cross sections as functions of the Z or Higgs boson transverse momentum. The effects of new physics are probed using a framework in which the standard model is considered to be the low-energy effective field theory of a higher energy scale theory. Eight possible dimension-six operators are added to the standard model Lagrangian and their corresponding coefficients are constrained via fits to the data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A simple kinetic theory of auroral arc scales

A kinetic theory of the origins of the auroral arc scale spectrum is presented in this paper. The conceptual basis of the theory is current conservation in a turbulent plasma at the magnetospheric equatorial region in which a field-aligned current is generated and the local electrostatic potential structure is forced to adjust to the presence of the field-aligned current. This simple model uses an ad hoc Ohm's law relationship between the perpendicular current and the perpendicular electric field, but with a negative conductance in the generator region so that J(perpendicular) x E(perpendicular) is less than 0. An exact solution of a simple model of the concept yields a bistatic auroral generator for which multiple-arc formation is predicted if the field-aligned current exceeds a critical value. The predicted scale spectrum is inversely proportional to the square root of the field-aligned current strength spectrum.

Chiu, Y. T.↗

Critical Scaling of Solid Fragmentation at Quasistatic and Finite Strain Rates

Here, using two-dimensional simulations of sheared, brittle solids, we characterize the resulting fragmentation and explore its underlying critical nature. Under quasistatic loading, a power-law distribution of fragment masses emerges after fracture which grows with increasing strain. With increasing strain rate, the maximum size of a grain decreases and a shallower distribution is produced. We propose a scaling theory for distributions based on a fractal scaling of the largest mass with system size in the quasistatic limit or with a correlation length that diverges as a power of rate in the finite-rate limit. Critical exponents are measured using finite-size scaling techniques.

36 MATERIALS SCIENCE↗

Exploring the parameter space of MagLIF implosions using similarity scaling. I. Theoretical framework

Magneto-inertial fusion concepts, such as the magnetized liner inertial fusion (MagLIF) platform, constitute an alternative path for achieving ignition and significant fusion yields in the laboratory. The space of experimental input parameters defining a MagLIF load is highly multi-dimensional, and the implosion itself is a complex event involving many physical processes. In the first paper of this series, we develop a simplified analytical model that identifies the main physical processes at play during a MagLIF implosion. Using non-dimensional analysis, we determine the most important dimensionless parameters characterizing MagLIF implosions and provide estimates of such parameters using typical fielded or experimentally observed quantities for MagLIF. Here, we then show that MagLIF loads can be “incompletely” similarity scaled, meaning that the experimental input parameters of MagLIF can be varied such that many (but not all) of the dimensionless quantities are conserved. Based on similarity-scaling arguments, we can explore the parameter space of MagLIF loads and estimate the performance of the scaled loads. Then, in the follow-up papers of this series, we test the similarity-scaling theory for MagLIF loads against simulations for two different scaling “vectors,” which include current scaling and rise-time scaling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗