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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 577 records · Page 32

Bridging nuclear physics across energy scales: from neutrinoless double-beta decay to high-energy heavy-ion collisions

This paper exemplifies how connecting methods at disparate energy scales can illuminate fundamental questions. By demonstrating that nuclear wave function properties governing rare decay processes also influence collective behavior at extreme temperatures and densities, the authors have opened a new pathway for constraining physics beyond the Standard Model. With multiple ton-scale 0νββ experiments under construction, any method reducing NME uncertainties will directly impact our ability to interpret discoveries or constrain neutrino properties. The general principle—that collective phenomena in high-energy collisions can illuminate subtle features of many-body correlations in the colliding nuclei—may find applications across nuclear and particle physics. Furthermore, this intersection of nuclear structure theory, heavy-ion physics, and fundamental symmetry tests represents fertile ground for future discoveries in modern physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

On the stability of three-dimensional compressible nonparallel boundary layers

A compressible linear stability theory is presented for three-dimensional nonuniform boundary layers. The amplitude, phase, and wavenumber equations which govern the motion of the disturbance are obtained by using the method of multiple scales. Group velocity trajectories are used to identify the disturbance growth direction. The spatial stability theory is applied to the flow on a laminar flow control supercritical sweptback wing of infinite span. Three different methods are used to calculate the absolute maximum logarithmic amplitude ratio N. In the front crossflow instability region, the method of maximum spatial growth rate predicts large difference in N compared with the method of fixed wavelength and the method of fixed spanwise component of wavelength. This difference decreases in the middle streamwise instability region, and almost vanishes in the rear crossflow instability region. Compressibility of the medium reduces N by about 15% in both the front and rear regions, and by about 40% in the middle region of the wing. Nonuniformity of the medium has large effects specially in the rear region.

El-Hady, N. M.↗

Scale Invariance of the Homentropic Inviscid Euler Equations with Application to the Noh Problem

We investigate the inviscid compressible flow (Euler) equations constrained by an ”isentropic” equation of state (EOS), whose functional form in pressure is an arbitrary function of density alone. Under the aforementioned condition, we interrogate using symmetry methods the scale-invariance of the homentropic inviscid Euler equations. We find that under general conditions, we can reduce the inviscid Euler equations into a system of two coupled ordinary differential equations. To exemplify the utility of these results, we formulate two example scale-invariant, self-similar solutions. The first example includes a shock-free expanding bubble scenario, featuring a modified Tait EOS. The second example features the classical Noh problem, coupled to an arbitrary isentropic EOS. In this case, in order to satisfy the conditions set forth in the classical Noh problem, we find that the solution for the flow is given by a transcendental algebraic equation in the shocked density.

97 MATHEMATICS AND COMPUTING↗

Nonparallel stability of three-dimensional flows

The linear stability of three-dimensional incompressible, isothermal, nonparallel boundary-layer flows has been investigated. The method of multiple scales is used to derive the partial-differential equations that describe the spatial modulations of the amplitude, phase and wavenumber of a disturbance. Group velocities are used to determine the disturbance growth direction. The envelope method is used to calculate the logarithmic amplitude growth rate N. The theory is applied to the flows over a swept-back tapered wing with boundary-layer suction. Results of such analysis for the X-21 wing are discussed. It is found that the nonparallel effects for this wing is substantial.

Padhye, A. R.↗

Multilevel methods for elliptic problems on unstructured grids

Multilevel methods on unstructured grids for elliptic problems are reviewed. The advantages of these techniques are the flexible approximation of the boundaries of complicated physical domains and the ability to adapt the grid to the resolution of fine scaled structures. Multilevel methods, which include multigrid methods and domain decomposition methods, depend on the correct splitting of appropriate finite element spaces. The standard splittings used in the structured grid case cannot be directly extended to unstructured grids due to their requirement for a hierarchical grid structure. Issues related to the application of multilevel methods to unstructured grids are discussed, including how the coarse spaces and transfer operators are defined and how different types of boundary conditions are treated. An obvious way to generate a coarse mesh is to regrid the physical domain several times. Several alternatives are proposed and discussed: node nested coarse spaces, agglomerated coarse spaces and algebraically generated coarse spaces.

Chan, Tony F.↗

High precision tests of QCD without scale or scheme ambiguities: The 40th anniversary of the Brodsky–Lepage–Mackenzie method

A key issue in making precise predictions in QCD is the uncertainty in setting the renormalization scale μ r and thus determining the correct values of the QCD running coupling α s (μ r ) at each order in the perturbative expansion of a QCD observable. It has often been conventional to simply set the renormalization scale to the typical scale of the process Q and vary it in the range μ r $\in$ [Q/2, 2Q] in order to estimate the theoretical error. This is the practice of Conventional Scale Setting (CSS). The resulting CSS prediction will however depend on the theorist’s choice of renormalization scheme and the resulting pQCD series will diverge factorially. It will also disagree with renormalization scale setting used in QED and electroweak theory thus precluding grand unification. A solution to the renormalization scale-setting problem is offered by the Principle of Maximum Conformality (PMC), which provides a systematic way to eliminate the renormalization scale-and-scheme dependence in perturbative calculations. The PMC method has rigorous theoretical foundations, it satisfies Renormalization Group Invariance (RGI) and preserves all self-consistency conditions derived from the renormalization group. The PMC cancels the renormalon growth, reduces to the Gell-Mann–Low scheme in the N c → 0 Abelian limit and leads to scale- and scheme-invariant results. The PMC has now been successfully applied to many high-energy processes. In this article we summarize recent developments and results in solving the renormalization scale and scheme ambiguities in perturbative QCD. In particular, we present a recently developed method the PMC ∞ and its applications, comparing the results with CSS. The method preserves the property of renormalizable SU(N)/U(1) gauge theories defined as Intrinsic Conformality (iCF). This property underlies the scale invariance of physical observables and leads to a remarkably efficient method to solve the conventional renormalization scale ambiguity at every order in pQCD. This new method reflects the underlying conformal properties displayed by pQCD at NNLO, eliminates the scheme dependence of pQCD predictions and is consistent with the general properties of the PMC. A new method to identify conformal and β-terms, which can be applied either to numerical or to theoretical calculations is also shown. We present results for the thrust and C-parameter distributions in e + e - annihilation showing errors and comparison with the CSS. We also show results for a recent innovative comparison between the CSS and the PMC ∞ applied to the thrust distribution investigating both the QCD conformal window and the QED N c → 0 limit. In order to determine the thrust distribution along the entire renormalization group flow from the highest energies to zero energy, we consider the number of flavors near the upper boundary of the conformal window. In this flavor-number regime the theory develops a perturbative infrared interacting fixed point. These results show that PMC ∞ leads to higher precision and introduces new interesting features in the PMC. In fact, this method preserves with continuity the position of the peak, showing perfect agreement with the experimental data already at NNLO. We also show a detailed comparison of the PMC ∞ with the other PMC approaches: the multi-scale-setting approach (PMCm) and the single-scale-setting approach (PMCs) by comparing their predictions for three important fully integrated quantities R e+e- , R$_Τ$ and Γ (H→$b\bar{b}$) up to the four-loop accuracy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Implicit-Explicit Multirate Infinitesimal GARK Methods

This work focuses on the development of a new class of high-order accurate methods for multirate time integration of systems of ordinary differential equations. Unlike other recent work in this area, the proposed methods support mixed implicit-explicit (IMEX) treatment of the slow time scale. In addition to allowing this slow time scale flexibility, the proposed methods utilize a so-called infinitesimal formulation for the fast time scale through definition of a sequence of modified “fast" initial-value problems that may be solved using any viable algorithm. We name the proposed class as implicit-explicit multirate infinitesimal generalized-structure additive Runge--Kutta (IMEX-MRI-GARK) methods. In addition to defining these methods, we prove that they may be viewed as specific instances of GARK methods and derive a set of order conditions on the IMEX-MRI-GARK coefficients to guarantee both third and fourth order accuracy for the overall multirate method. Additionally, we provide three specific IMEX-MRI-GARK methods, two of order three and one of order four. We conclude with numerical simulations on two multirate test problems, demonstrating the methods' predicted convergence rates and comparing their efficiency against both legacy IMEX multirate schemes and recent third and fourth order implicit MRI-GARK methods.

97 MATHEMATICS AND COMPUTING↗

Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys

Ab initio electronic-structure has remained dichotomous between achievable accuracy and length-scale. Quantum many-body (QMB) methods realize quantum accuracy but fail to scale. Density functional theory (DFT) scales favorably but remains far from quantum accuracy. We present a framework that breaks this dichotomy by use of three interconnected modules: (i) invDFT: a methodological advance in inverse DFT linking QMB methods to DFT; (ii) MLXC: a machine-learned density functional trained with invDFT data, commensurate with quantum accuracy; (iii) DFT-FE-MLXC: an adaptive higher-order spectral finite-element (FE) based DFT implementation that integrates MLXC with efficient solver strategies and HPC innovations in FE-specific dense linear algebra, mixed-precision algorithms, and asynchronous compute-communication. Furthermore, we demonstrate a paradigm shift in DFT that not only provides an accuracy commensurate with QMB methods in ground-state energies, but also attains an unprecedented performance of 659.7 PFLOPS (43.1% peak FP64 performance) on 619,124 electrons using 8,000 GPU nodes of Frontier supercomputer.

density functional theory↗

Photovoltaic inverter-based quantification of snow conditions and power loss

Snow is a significant challenge for photovoltaic (PV) systems at northern latitudes, where the pace of deployment is rapid but snow-related power losses can exceed 30% of annual production. Accurate snow-related power loss estimation methods for utility-scale sites can support snow mitigation strategies, inform resource planning and validate predictive snow-loss models. This study builds on our previous work on inverter-based detection of snow, and its implications for utility-scale power production, by validating the accuracy of our snow-loss method across different PV sites and system designs and highlighting its value in bringing greater visibility to PV plant operations in winter. Our estimation method is both novel and scalable, requiring only standard monitoring data to correlate snow-related losses with meteorological data. As demonstrated here, our validation method involved three main steps: 1) estimation of performance losses for multiple systems by comparing measured inverter data to modeled data; 2) application of a detection framework to identify which performance losses are snow-related; and 3) comparison of snow-related losses among three utility-scale sites differing in tilt angle. Results show that utility-scale systems at higher tilt angles consistently shed snow more quickly/completely than their lower-tilt counterparts. Further, monthly and seasonal snow losses are inversely and non-linearly correlated with tilt angle when normalized for cumulative snowfall. These results are consistent with the findings of previous studies and support the broad applicability of this method to fixed-tilt utility-scale PV systems around the world that routinely experience snow-related performance losses.

Cooper, Emma C. (ORCID:0000000190554098)↗

Molecular Dynamics Simulation of Complex Reactivity with the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) Software Package

Simulating chemically reactive phenomena such as proton transport on nanosecond to microsecond and beyond time scales is a challenging task. Ab initio methods are unable to currently access these time scales routinely, and traditional molecular dynamics methods feature fixed bonding arrangements that cannot account for changes in the system’s bonding topology. The Multiscale Reactive Molecular Dynamics (MS-RMD) method, as implemented in the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) software package for the LAMMPS molecular dynamics code, offers a method to routinely sample longer time scale reactive simulation data with statistical precision. RAPTOR may also be interfaced with enhanced sampling methods to drive simulations toward the analysis of reactive rare events, and a number of collective variables (CVs) have been developed to facilitate this. Key advances to this methodology, including GPU acceleration efforts and novel CVs to model water wire formation are reviewed, along with recent applications of the method which demonstrate its versatility and robustness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scale bridging damage model for quasi-brittle metals informed with crack evolution statistics

Computationally efficient methods for bridging length scales, from highly resolved micro/meso-scale models that can explicitly model crack growth, to macro-scale continuum models that are more suitable for modeling large parts, have been of interest to researchers for decades. In this work, an improved brittle damage model is presented for the simulation of dynamic fracture in continuum scale quasi-brittle metal components. Crack evolution statistics, including the number, length, and orientation of individual cracks, are extracted from high-fidelity, finite discrete element method (FDEM) simulations and used to generate effective material moduli that reflect the material’s damaged state over time. This strategy allows for the retention of small-scale physical behaviors such as crack growth and coalescence in continuum scale hydrodynamic simulations. However, the high-fidelity simulations required to generate the crack statistics are computationally expensive. Thus, steps were taken to produce a flexible constitutive model to reduce the number of costly high-fidelity simulations needed to produce accurate results. A new stress based degradation criterion is introduced for the degradation of individual material zones. This allows for the development of a heterogeneous damage distribution within the bulk material. Then a flow stress model is added to the hydrodynamic simulation to account for plasticity in quasi-brittle materials. As a result, the effective moduli model can be applied to a larger range of materials. The effective moduli constitutive model is used to simulate beryllium flyer plate experiments. The results from the continuum scale simulations using statistics from a single high-fidelity simulation are found to be in excellent agreement with numerical and experimental velocity interferometer data. The same set of crack statistics are used to extrapolate the results of a higher rate flyer plate case using the effective moduli model. In conclusion, the extension of this model to higher rate cases shows promise for further reducing the number of costly high-fidelity simulations needed to generate crack statistics.

36 MATERIALS SCIENCE↗

Advanced Physics Models for Particle-Particle Interactions (UCD final report)

The LDRD "Advanced Physics Models for Particle-Particle Interactions” collaborative research with Professor Jennifer Sinclair Curtis and PhD student Chanh Nguyen at the University of California, Davis involved meso-scale, discrete element method (DEM) modeling of micron-sized particles impacting a substrate. Using DEM, physical insight into the details of particle response upon impact can be obtained. Such details provide the type of information necessary to enhance existing continuum or macro-scale simulation tools so that modeling for material strength and particle breakage models is based on particle physics versus empirical relationships. While molecular dynamics simulations of atoms can also provide physical insight into the particle response to impact, the scale of particles that are treated is on the order of angstroms, not microns. This study gives evidence to the ability of the DEM simulation technique to provide such fundamental, detailed insight for micron-sized particles as a function of particle properties and impact velocity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Revealing Soil Organic Matter-mineral Associations with Advanced Chemical Imaging Methods

Although macro-scale in nature, most biogeochemical processes are driven by interactions at the microand nano-scale. Therefore, precise characterization of both organic and inorganic system components requires multi-scale, often multi-capability approaches. In this work, we present the state-of-the-art characterization of organic matter-mineral associations by high-resolution correlated chemical imaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simultaneous stochastic inversion for geomagnetic main field and secular variation. I - A large-scale inverse problem

The method of stochastic inversion is extended to the simultaneous inversion of both main field and secular variation. In the present method, the time dependency is represented by an expansion in Legendre polynomials, resulting in a simple diagonal form for the a priori covariance matrix. The efficient preconditioned Broyden-Fletcher-Goldfarb-Shanno algorithm is used to solve the large system of equations resulting from expansion of the field spatially to spherical harmonic degree 14 and temporally to degree 8. Application of the method to observatory data spanning the 1900-1980 period results in a data fit of better than 30 nT, while providing temporally and spatially smoothly varying models of the magnetic field at the core-mantle boundary.

Bloxham, Jeremy↗

Three-dimensional displays for natural hazards analysis, using classified Landsat Thematic Mapper digital data and large-scale digital elevation models

Methods are described for using Landsat Thematic Mapper digital data and digital elevation models for the display of natural hazard sites in a mountainous region of northwestern Montana, USA. Hazard zones can be easily identified on the three-dimensional images. Proximity of facilities such as highways and building locations to hazard sites can also be easily displayed. A temporal sequence of Landsat TM (or similar) satellite data sets could also be used to display landscape changes associated with dynamic natural hazard processes.

Butler, David R.↗

Effect of a Rapid Blade-Pitch Increase on the Thrust and Induced-Velocity Response of a Full-Scale Helicopter Rotor

A method has been proposed for predicting the effect of a rapid blade-pitch increase on the thrust and induced-velocity response of a helicopter rotor. General equations have been derived for the ensuing motion of the helicopter. These equations yield time histories of thrust, induced velocity, and helicopter vertical velocity for given rates of blade-pitch-angle changes and given rotor-angular-velocity time histories. The results of the method have been compared with experimental results obtained with a rotor mounted on the Langley helicopter test tower. The calculated and experimental results are in good agreement, although, in general, the calculated thrust-coefficient overshoots are about 10 percent greater than those obtained experimentally.

Carpenter, Paul J↗

Full-Scale Passive Earth Entry Vehicle Landing Tests: Methods and Measurements

During the summer of 2016, a series of drop tests were conducted on two passive earth entry vehicle (EEV) test articles at the Utah Test and Training Range (UTTR). The tests were conducted to evaluate the structural integrity of a realistic EEV vehicle under anticipated landing loads. The test vehicles were lifted to an altitude of approximately 400m via a helicopter and released via release hook into a predesignated 61 m landing zone. Onboard accelerometers were capable of measuring vehicle free flight and impact loads. High-speed cameras on the ground tracked the free-falling vehicles and data was used to calculate critical impact parameters during the final seconds of flight. Additional sets of high definition and ultra-high definition cameras were able to supplement the high-speed data by capturing the release and free flight of the test articles. Three tests were successfully completed and showed that the passive vehicle design was able to withstand the impact loads from nominal and off-nominal impacts at landing velocities of approximately 29 m/s. Two out of three test resulted in off-nominal impacts due to a combination of high winds at altitude and the method used to suspend the vehicle from the helicopter. Both the video and acceleration data captured is examined and discussed. Finally, recommendations for improved release and instrumentation methods are presented.

Littell, Justin D.↗