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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Energetic particle optimization of quasi-axisymmetric stellarator equilibria

Abstract An important goal of stellarator optimization is to achieve good confinement of energetic particles such as, in the case of a reactor, alphas created by deuterium–tritium fusion. In this work, a fixed-boundary stellarator equilibrium was re-optimized for energetic particle confinement via a two-step process: first, by minimizing deviations from quasi-axisymmetry (QA) on a single flux surface near the mid-radius, and secondly by maintaining this improved QA while minimizing the analytical quantity Γ C , which represents the angle between magnetic flux surfaces and contours of J | | , the second adiabatic invariant. This was performed multiple times, resulting in a group of equilibria with significantly reduced energetic particle losses, as evaluated by Monte Carlo simulations of alpha particles in scaled-up versions of the equilibria. This is the first time that energetic particle losses in a QA stellarator have successfully been reduced by optimizing Γ C . The relationship between energetic particle losses and metrics such as QA error ( E q a ) and Γ C in this set of equilibria were examined via statistical methods and a nearly linear relationship between volume-averaged Γ C and prompt particle losses was found.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Dimensionless parameters for cloudy Rayleigh-Bénard convection: Supersaturation, Damköhler, and Nusselt numbers

In steady-state Rayleigh-Bénard convection, heat is transported by turbulent thermal convection from the bottom, hot surface to the top, cold surface, leading to a height-independent sensible heat flux. When water vapor is present and cloud formation occurs, there is also an additional latent heat flux. Heat transport in cloudy Rayleigh-Bénard convection depends on turbulent flow as well as the microphysical state of the clouds: specifically, whether substantial supersaturations exist and whether cloud liquid water is removed through sedimentation/precipitation. In this article we bridge between the Rayleigh-Bénard convection literature and the atmospheric literature. We express the governing equations for cloudy convection in dimensionless form, thereby explicitly identifying the governing parameters relevant to the cloudy case, including Schmidt, Damköhler, supersaturation, and sedimentation numbers. We further connect to the atmospheric literature by obtaining a Nusselt number (dimensionless heat flux) for a cloud-convection system, directly from the conservation equations for temperature and water vapor. This flux has the same form as that identified by Zhang et al. [L. Zhang, K. L. Chong, and K.-Q. Xia, J. Fluid Mech. 874, 1041 (2019)] for convection with water vapor, but is extended to the cloudy case. For equal thermal and water vapor diffusivities, the flux corresponds to the widely used atmospheric quantities equivalent temperature and moist static energy. Using large eddy simulation (LES) of an idealized cloudy Rayleigh-Bénard convection system with fixed boundary conditions, we find that the equivalent heat flux (Nusselt number) is only weakly dependent on the microphysical details of the system, such as liquid water mixing ratio and cloud droplet number concentration. Finally, from the results, we show the vertical profiles of sensible and latent heat fluxes depend on the liquid water content, whereas the equivalent heat flux remains a constant throughout the height of the chamber.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Neural-Network-Enhanced COTSIM: Advancing Predictive Capabilities for Fast DIII-D Simulations

Sustaining fusion reactions in tokamaks requires heating plasma to thermonuclear temperatures while maintaining confinement and stability. Neutral beam injection (NBI) provides heating, current drive, torque, and fueling, while electron cyclotron (EC) waves are widely used for heating and current drive; together, these actuators shape the plasma current, temperature, and density profiles. The control-oriented tokamak simulator (COTSIM), a predictive, control-oriented code, has been enhanced with neural-network surrogates for transport and sources. Turbulent transport is predicted by MMMnet—a neural-network version of the updated multimode model (MMM 9.0.10)—with significantly reduced computation time relative to MMM; neoclassical transport follows the Chang–Hinton model. NUBEAMnet, a surrogate of the Monte Carlo NUBEAM module, predicts beam-driven heating, current, and torque. EC heating and current drive use a control-oriented, empirically scaled source model; plasma resistivity follows the Spitzer formulation; bootstrap current uses the Sauter model. Equilibrium is computed using both prescribed and fixed-boundary solvers (FBSs), and the pedestal structure is modeled with an empirical pedestal model. For a representative DIII-D discharge, COTSIM predicts electron and ion temperature and safety-factor profiles in close agreement with TRANSP predictive and interpretive simulations while extending predictions through the pedestal region to the plasma edge (versus 80% of the minor radius in TRANSP). Furthermore, the equivalent COTSIM simulation runs in under 3 min compared to about 2 h for TRANSP, enabling rapid scenario planning, optimization of tokamak operation, and between-pulse control design.

Control-oriented tokamak simulator (COTSIM)↗
DOE OSTI2022

High Performance Equilibrium Solvers for Integrated Magnetic Fusion Simulations

With the funding provided by this award, we developed numerical codes for the study of magnetically confined plasmas for fusion applications. Accordingly, our work can be divided into two separate categories: 1) the design and analysis of novel numerical methods providing high accuracy and high efficiency; 2) the study of the equilibrium and stability of magnetically confined plasmas with some of these numerical codes, as well as the study of the nature of the turbulent behavior which may arise in the presence of instabilities. We first developed new numerical schemes based on integral equation methods for the computation of steady-state magnetic configurations in fusion experiments, providing high accuracy for the magnetic field and its derivatives, which are required for stability and turbulence calculations. We employed different integral formulations depending on the application of interest: axisymmetric or non-axisymmetric equilibria, force-free or magnetohydrodynamic equilibria, fixed-boundary equilibria or free-boundary equilibria. While efficient, these methods do not yet apply to plasma boundaries which are not smooth, a situation which is fairly common in magnetic confinement experiments. To address this temporary weakness, we also constructed a new steady-state solver based on the Hybridizable Discontinuous Galerkin (HDG) method, which provides full geometric flexibility. In addition to these numerical tools focused on steady-states, we also contributed to the improvement of the speed and accuracy of codes simulating the plasma dynamics of fusion plasmas, by developing a novel velocity space representation for the efficient solution of kinetic equations, which most accurately describe the time evolution of hot plasmas in fusion experiments. Using the tools discussed above, we studied several questions pertaining to the equilibrium and stability of magnetically confined plasmas. In particular, we derived a new simple model for axisymmetric devices called tokamaks, to predict how elongated a fusion plasma can be before it becomes unstable and collapses. We also looked at the effect of the shape of the outer plasma surface on key properties of the steady-state magnetic configurations, and how these properties impact turbulence in fusion plasmas, and the corresponding transport of momentum. Likewise, we studied the role of large localized flows on the steady-state magnetic configurations, and how they may influence plasma stability and turbulence. Non-axisymmetric steady-state magnetic configurations are inherently more complex than axisymmetric steady-state configurations, and the subject of ongoing controversies regarding the regularity of the equations determining such steady-states, and their solutions. Implementing an existing NYU code in a new geometry, we studied the nature of the singularity of the solutions observed in the code, and methods to eliminate them. Our main conclusion is that by appropriately tailoring the plasma boundary, it is possible to eliminate the singularities otherwise appearing in our simulations, and to obtain steady-states which appear to be smooth. To gain further insights on incompletely understood turbulence phenomena, we proposed a new reduced model capturing most of these phenomena, which is simple enough to not require expensive numerical simulations on massive supercomputers to investigate them. We demonstrated the strong similarity between our simulations and published results obtained from computationally expensive simulations, and plan to rely on our reduced model to identify the key mechanisms determining the evolution and strength turbulent driven transport in fusion plasmas. Finally, we proposed a new framework for tokamak reactor design studies, enabling us to consider the relative merits of steady-state versus pulsed fusion reactors. We found that pulsed fusion reactors may benefit most from recent advances in magnet technology, and the availability of very high field magnets. As such, they may become more desirable than steady-state tokamak reactors for cost efficient electricity generation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Temporal Coarse Graining for Classical Stochastic Noise in Quantum Systems

Simulations of quantum systems with Hamiltonian classical stochastic noise can be challenging when the noise exhibits temporal correlations over a multitude of time scales, such as for 1/f noise in solid-state quantum information processors. Here we present an approach for simulating Hamiltonian classical stochastic noise that performs temporal coarse-graining by effectively integrating out the high-frequency components of the noise. We focus on the case where the stochastic noise can be expressed as a sum of Ornstein-Uhlenbeck processes. Temporal coarse-graining is then achieved by conditioning the stochastic process on a coarse realization of the noise, expressing the conditioned stochastic process in terms of a sum of smooth, deterministic functions and bridge processes with boundaries fixed at zero, and performing the ensemble average over the bridge processes. For Ornstein-Uhlenbeck processes, the deterministic components capture all dependence on the coarse realization, and the stochastic bridge processes are not only independent but taken from the same distribution with correlators that can be expressed analytically, allowing the associated noise propagators to be precomputed once for all simulations. This combination of noise trajectories on a coarse time grid and ensemble averaging over bridge processes has practical advantages, such as a simple concatenation rule, that we highlight with numerical examples.

Albash, Tameem [Sandia National Lab. (SNL-NM), Alb↗
DOE OSTI2026

Quantum properties of non-Dirichlet boundary conditions in gravity

The Euclidean path integral for gravity is enriched by the addition of boundaries, which provide useful probes of thermodynamic properties. Common boundary conditions include Dirichlet conditions on the boundary induced metric; microcanonical conditions, which refers to fixing some components of the Brown-York boundary stress tensor; and conformal conditions, in which the conformal structure of the induced metric and the trace of the extrinsic curvature are fixed. Boundaries also present interesting problems of consistency. The Dirichlet problem is known, under various (and generally different) conditions, to be inconsistent with perturbative quantization of graviton fluctuations, to exhibit thermodynamic instability, or to require infinite fine-tuning in the presence of matter fluctuations. We extend some of these results to other boundary conditions. We find that similarly to the Dirichlet problem, the graviton fluctuation operator is not elliptic with microcanonical boundaries, and the nonelliptic modes correspond to “boundary-moving diffeomorphisms.” However, we argue that microcanonical factorization of path integrals—essentially, the insertion of microcanonical constraints on two-sided surfaces in the bulk—is not affected by the same issues of ellipticity. We also show that for a variety of matter field boundary conditions, matter fluctuations renormalize the gravitational bulk and boundary terms differently, so that the classical microcanonical or conformal variational problems are not preserved unless an infinite fine-tuning is performed.

Draper, Patrick [Univ. of Illinois at Urbana-Champ↗
DOE OSTI2024

One-dimensional reflection in the quantum mechanical bootstrap

We describe the application of the quantum mechanical bootstrap to the solution of one-dimensional scattering problems. By fixing a boundary and modulating the Robin parameter of the boundary conditions we are able to extract the reflection coefficient for various potentials and compare to physical expectations. This includes an application of semidefinite programming to solving a half line Schrodinger problem with arbitrary Robin boundary conditions. Finally, the WKB approximation is used to numerically determine the scattering behavior of the exponential potential of Liouville theory. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2020

More of the bulk from extremal area variations

It was shown recently in (Bao N et al 2019 Class. Quantum Grav. 36 185002), building on work of Alexakis, Balehowksy, and Nachman (Alexakis S et al 2017 arXiv:1711.09379), that the geometry of (some portion of) a manifold with boundary is uniquely fixed by the areas of a foliation of two-dimensional disk-shaped surfaces anchored to the boundary. In the context of AdS/CFT, this implies that (a portion of) a four-dimensional bulk geometry can be fixed uniquely from the entanglement entropies of disk-shaped boundary regions, subject to several constraints. Here, we loosen some of these constraints, in particular allowing for the bulk foliation of extremal surfaces to be local and removing the constraint of disk topology; these generalizations ensure uniqueness of more of the deep bulk geometry by allowing for e.g. surfaces anchored on disconnected asymptotic boundaries, or HRT surfaces past a phase transition. We also explore in more depth the generality of the local foliation requirement, showing that even in a highly dynamical geometry like AdS-Vaidya it is satisfied.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Local atomic environment analysis of short and long-range solute-solute interactions in a symmetric tilt grain boundary

We develop an efficient molecular-statics algorithm for predicting local solute-solute interaction effects on grain-boundary segregation. This algorithm is applied to the segregation and interaction of Ni and Cu solutes in a Σ9 (221) symmetric tilt grain boundary in Ag. It is found that the strength of interaction between two solutes directly correlates with the change of average segregation energy in the local atomic environment of a fixed grain-boundary solute. It is shown that local interaction effects at grain boundaries can be either attractive or repulsive wherein long-range attractive effects increase the propensity for solute cluster nucleation. This study underscores the atomic nature of grain-boundary solute segregation and provides a tool that could yield meaningful insight into heterogeneous solute segregation phenomena in polycrystalline alloys beyond their dilute limit.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Type II Hamiltonian Variational Principle and Adjoint Systems for Lie Groups

We present a novel Type II variational principle on the cotangent bundle of a Lie group which enforces Type II boundary conditions, i.e., fixed initial position and final momentum. In general, such Type II variational principles are only globally defined on vector spaces or locally defined on general manifolds; however, by left translation, we are able to define this variational principle globally on cotangent bundles of Lie groups. Type II boundary conditions are particularly important for adjoint sensitivity analysis, which is our motivating application. As such, we additionally discuss adjoint systems on Lie groups, their properties, and how they can be used to solve optimization problems subject to dynamics on Lie groups.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Charge carrier motion and effect of fixed oxide charge in a microstructured silicon radiation detector

Signal formation in a microstructured semiconductor neutron detector is more complex than in planar diode geometry. Three-dimensional microstructures are laterally smaller than the ionization cloud length, and the electric fields may be weak enough to exhibit plasma time effects. This work is the first detailed treatment of charge carrier motion in these complex semiconductor devices to replicate the time profile and signal magnitude. Simulations were performed using COMSOL Multiphysics to investigate various parameters that affect the propagation of the charge cloud. It was observed that the size of the simulated three-dimensional structure had an impact on the induced current pulse, indicating the importance of simulation geometry optimization to accurately simulate charge cloud expansion. COMSOL Multiphysics was used to replicate accurate charge creation profiles using energy deposition information imported from radiation transport codes. A detailed simulation methodology is presented to benchmark preamplifier event pulses along with complexities in modeling the charge carrier motion along the etched microstructured trenches with Si–SiO 2 boundary conditions, including fixed oxide charge and interface trapping.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Heisenberg spin chain as a worldsheet coordinate for lightcone quantized string

Although the energy spectrum of the Heisenberg spin chain on a circle defined by H = 1 4 Σ k = 1 M σ k x σ k + 1 x + σ k y σ k + 1 y + Δ σ k z σ k + 1 z is well known for any fixed M, the boundary conditions vary according to whether Mϵ 4N + r, where r = -1,0,1,2, and also according to the parity of the number of overturned spins in the state, In string theory all these cases must be allowed because interactions involve a string with M spins breaking into strings with M 1 < M and M - M 1 spins (or vice versa). We organize the energy spectrum and degeneracies of H in the case Δ = 0 where the system is equivalent to a system of free fermions. In spite of the multiplicity of special cases, in the limit M → ∞ the spectrum is that of a free compactified worldsheet field. Such a field can be interpreted as a compact transverse string coordinate x(σ) ≡ x(σ) + R 0 . We construct the bosonization formulas explicitly in all separate cases, and for each sector give the Virasoro conformal generators in both fermionic and bosonic formulations. Furthermore from calculations in the literature for selected classes of excited states, there is strong evidence that the only change for Δ ≠ 0 is a change in the compactification radius R 0 → R Δ . As Δ→ -1 this radius goes to infinity, giving a concrete example of noncompact space emerging from a discrete dynamical system. Finally we apply our work to construct the three string vertex implied by a string whose bosonic coordinates emerge from this mechanism.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Toroidal modeling of runaway avalanche in DIII-D discharges

Abstract A toroidal modeling tool is developed to study the runaway electron (RE) avalanche production process in tokamak plasmas, by coupling the Rosenbluth–Putvinski avalanche model (Rosenbluth and Putvinski 1997 Nucl. Fusion 37 1355) with an n = 0 magneto-hydrodynamic (MHD) solver. Initial value numerical simulations are carried out for two DIII-D discharges with different plasma shapes (one near circular, and the other with high elongation). It is found that, assuming the same level of about 1% seed current level, the Rosenbluth–Putvinski model somewhat underestimates the RE plateau current for the circular-shaped plasma, as compared with that measured in DIII-D experiments. For an elongated, higher current plasma, simulations find strong runaway current avalanche production despite the lack of measured plateau RE current in experiments. A possible reason for this discrepancy is a lack of additional RE dissipation physics in the present two-dimensional model. Systematic scans of the plasma boundary shape, at fixed pre-disruption plasma current, find that the plasma elongation helps to reduce the RE avalanche production, confirming recent results obtained with an analytic model (Fülöp et al 2020 J. Plasma Phys. 86 474860101). The effect of the plasma triangularity (either positive or negative), on the other hand, has a minor effect. On the physics side, the avalanche process involves two competing mechanisms associated with the electric field. On the one hand, a stronger electric field produces a higher instantaneous avalanche growth rate. On the other hand, a fast growing RE current quickly reduces the fraction of the conduction current together with the electric field, and hence a faster dissipation of the poloidal flux. As a final result of these two dynamic processes, the runaway plateau current is not always the largest with the strongest initial electric field. These results lay the foundation for future self-consistent inclusion of the MHD dynamics and the RE amplification process.

Physics↗
DOE OSTI2021

SCEPTRE 2.2 Angular Quadrature Sets

This document includes details of the angular quadrature sets available in SCEPTRE for performing numerical integrations in the angular phase space. The angular dependence of the boundary and fixed-source terms an d initial angular flux are specified by angular index rather than by direction. It is, therefore, necessary to know the mapping from a specific direction to a direction index. This document includes angular quadrature weights and direction cosines for most of the quadrature sets available in SCEPTRE.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Mixing Cell Model: A One-Dimensional Numerical Model for Assessment of Water Flow and Contaminant Transport in the Unsaturated Zone

This report describes the Mixing Cell Model code, a one dimensional model for water flow and solute transport in the unsaturated zone under steady state or transient flow conditions. The model is based on the principles and assumptions underlying mixing-cell model formulations. The unsaturated zone is discretized into a series of independent mixing cells. Each cell may have unique hydrologic, lithologic, and sorptive properties. Ordinary differential equations describe the material (water and solute) balance within each cell. Water-flow equations are derived from the continuity equation, assuming that unit gradient conditions exist at all times in each cell. Pressure gradients are considered implicitly through model discretization. Unsaturated hydraulic conductivity and moisture contents are determined by the material specific moisture-characteristic curves. Solute-transport processes include explicit treatment of advective processes, first order chain decay, and linear sorption reactions. Dispersion is addressed through implicit and explicit dispersion. Implicit dispersion is an inherent feature of all mixing-cell models and originates from the formulation of the problem in terms of mass balance around fully mixed volume elements. Expressions are provided that relate implicit dispersion to the physical dispersion of the system. Two FORTRAN codes were developed to solve the water flow and solute-transport equations: (1) the Mixing Cell Model for Flow (MCMF) solves transient water-flow problems and (2) the Mixing Cell Model for Transport (MCMT) solves the solute-transport problem. The transient water-flow problem is typically solved first by estimating the water flux through each cell in the model domain as a function of time using the MCMF code. These data are stored in either ASCII or binary files that are later read by the solute transport code (MCMT). Code output includes solute pore water concentrations, water and solute inventories in each cell and at each specified output time, and water and solute fluxes through each cell and specified output time. Computer run times for coupled transient water flow and solute transport were typically several seconds on a 2 GHz Intel Pentium IV desktop computer. The model was benchmarked against analytical solutions and finite element approximations to the partial differential equations (PDE) describing unsaturated flow and transport. Differences between the maximum solute flux estimated by the mixing cell model and the PDE models were typically less than two percent. This revision includes an option for a fixed concentration lower boundary condition for diffusive fluxes for versions 020321 and later.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Modeling electrokinetic flows with the discrete ion stochastic continuum overdamped solvent algorithm

In this article we develop an algorithm for the efficient simulation of electrolytes in the presence of physical boundaries. In previous work the discrete ion stochastic continuum overdamped solvent (DISCOS) algorithm was derived for triply periodic domains, and was validated through ion-ion pair correlation functions and Debye-Hückel-Onsager theory for conductivity, including the Wien effect for strong electric fields. In extending this approach to include an accurate treatment of physical boundaries we must address several important issues. First, the modifications to the spreading and interpolation operators necessary to incorporate interactions of the ions with the boundary are described. Next we discuss the modifications to the electrostatic solver to handle the influence of charges near either a fixed potential or dielectric boundary. An additional short-ranged potential is also introduced to represent interaction of the ions with a solid wall. Finally, the dry diffusion term is modified to account for the reduced mobility of ions near a boundary, which introduces an additional stochastic drift correction. Herein, several validation tests are presented confirming the correct equilibrium distribution of ions in a channel. Additionally, the methodology is demonstrated using electro-osmosis and induced-charge electro-osmosis, with comparison made to theory and other numerical methods. Notably, the DISCOS approach achieves greater accuracy than a continuum electrostatic simulation method. We also examine the effect of under-resolving hydrodynamic effects using a “dry diffusion” approach, and find that considerable computational speedup can be achieved with a negligible impact on accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Two dimensional nearly de Sitter gravity

We study some aspects of the de Sitter version of Jackiw-Teitelboim gravity. Though we do not have propagating gravitons, we have a boundary mode when we compute observables with a fixed dilaton and metric at the boundary. We compute the no-boundary wavefunctions and probability measures to all orders in perturbation theory. We also discuss contributions from different topologies, borrowing recent results by Saad, Shenker and Stanford. We discuss how the boundary mode leads to gravitational corrections to cosmological observables when we add matter. Finally, starting from a four dimensional gravity theory with a positive cosmological constant, we consider a nearly extremal black hole and argue that some observables are dominated by the two dimensional nearly de Sitter gravity dynamics.

2D gravity↗
DOE OSTI2024

TAMU TRACER: Targeted Mobile Measurements to Isolate the Impacts of Aerosols and Meteorology on Deep Convection

Difficulty in using observations to isolate the impacts of aerosols from meteorology on deep convection often stems from inability to resolve the spatiotemporal variations in the environment serving as the storm’s inflow region. During the DOE TRacking Aerosol Convection interactions ExpeRiment (TRACER) in June-September 2022, a Texas A&M University (TAMU) team conducted a mobile field campaign to characterize the meteorological and aerosol variability in airmasses that serve as inflow to convection across the ubiquitous mesoscale boundaries associated with the sea- and bay-breezes in the Houston, Texas, region. These boundaries propagate inland over the fixed DOE Atmospheric Radiation Measurement (ARM) sites. However, convection occurs on either or both the continental or maritime sides or along the boundary. The maritime and continental airmasses serving as convection inflow may be quite distinct, with different meteorological and aerosol characteristics that fixed-site measurements cannot simultaneously sample. Thus, a primary objective of TAMU TRACER was to provide mobile measurements similar to those at the fixed sites, but in the opposite airmass across these moving mesoscale boundaries. TAMU TRACER collected radiosonde, lidar, aerosol, cloud condensation nuclei (CCN), and ice nucleating particle (INP) measurements on 29 enhanced operations days covering a variety of maritime, continental, outflow, and pre-frontal airmasses. This paper summarizes the TAMU TRACER deployment and measurement strategy, instruments, available datasets, and provides sample cases highlighting differences between these mobile measurements and those made at the ARM sites. We also highlight the exceptional TAMU TRACER undergraduate student participation in high impact learning activities through forecasting and field deployment opportunities.

54 ENVIRONMENTAL SCIENCES↗