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All sources NASA NTRS DOE OSTI

DOE OSTI2022

An Adaptive Geometry-Free Thermo-Mechanical Model for Directed Energy Deposition Process Modeling

This presentation describes a novel, geometry-free thermo-mechanical model with adaptive subdomain con- struction to accurately predict the thermal conditions, distortions, and residual stresses throughout the directed energy deposition (DED) process. A novel finite element workflow is designed to con- duct the numerical analysis, based on the multi-app and data transfer capabilities in the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE). Unlike with traditional methods, the part geometry in this model is not predefined. Instead, it is a combined effect of the processing parameters and material properties. At each time step, the model utilizes a subdomain construction paradigm to model the material deposition. A specialized mesh adaptivity scheme is incorporated to provide an accurate prediction while reducing the overall computational cost. The results generated by the proposed model show general agreement with the experimental measurements for the single track scan with varying processing parameters and demonstrate reasonable predictions for higher material buildups.

36 MATERIALS SCIENCE↗

DOE OSTI2022

PowerGridworld: A Framework for Multi-Agent Reinforcement Learning in Power Systems: Preprint

We present the PowerGridworld software package to provide users with a light-weight, modular, and customizable framework for creating power systems-focused, multi-agent gym environments that readily integrate with existing training frameworks for reinforcement learning (RL). While many frameworks exist for training multi-agent (MA) RL policies, none exist to rapidly prototype and develop the environments themselves, especially in the context of heterogeneous (composite, multi-device) power systems where power flow solutions are required to define grid-level variables and costs. PowerGridworld is an open-source software package that helps to fill this gap. To highlight PowerGridworld's key features, we present two case studies and demonstrate learning multi-agent RL policies using both OpenAI's MADDPG and RLLib's PPO algorithms where, in both cases, at least some subset of agents incorporate elements of the power flow solution at each time step as part of their reward (negative cost) structures.

MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Explicit simulation of the Brownian rotation of arbitrary shaped aerosol particles using quaternions

The shape of an aerosol particle strongly influences its mass and momentum transfer cross-sections, charging properties, and other physical properties. Here, we present an explicit time-stepping procedure to simulate the rotational Brownian motion of arbitrary shaped aerosol particles by solving Euler’s equation of rotation. A Langevin formulation of the rotation equations is used, wherein Brownian motion due to thermal collisions between a particle and background gas molecules is represented using a stochastic fluctuating torque and fluid resistance is included as a drag torque. To avoid singularities associated with describing the orientation of a shape with Euler angles, we employ a quaternion formulation that leads to first-order stochastic differential equations to describe the evolution of the angular position and angular velocity of a rigid body. We perform all the rotational dynamics calculations in the body-fixed frame of reference attached to the rotating shape whose basis vectors are the normalized eigenvectors of the inertia tensor of the particle. Numerical solutions to rotation under torque-free conditions, damped rotation without Brownian motion, and stochastic rotation for arbitrary shapes are presented and discussed. The presented method enables time-resolved simulation of Brownian rotation for direct comparison with experimentally measured trajectories or statistical measures. The second order accuracy of the used time-stepping procedure places a severe restriction on the timestep that can be used for obtaining accurate results. Animations of presented simulations are included for visualizing rotational motion at various gas pressures. To aid implementation, MATLAB ® codes are also provided. Extension to include translation Brownian motion is straightforward.

Roy, Mrittika↗

DOE OSTI2024

GCAM–GLORY v1.0: representing global reservoir water storage in a multi-sector human–Earth system model

Abstract. Reservoirs play a significant role in modifying the spatiotemporal availability of surface water to meet multi-sector human demands, despite representing a relatively small fraction of the global water budget. Yet the integrated modeling frameworks that explore the interactions among climate, land, energy, water, and socioeconomic systems at a global scale often contain limited representations of water storage dynamics that incorporate feedbacks from other systems. In this study, we implement a representation of water storage in the Global Change Analysis Model (GCAM) to enable the exploration of the future role (e.g., expansion) of reservoir water storage globally in meeting demands for, and evolving in response to interactions with, the climate, land, and energy systems. GCAM represents 235 global water basins, operates at 5-year time steps, and uses supply curves to capture economic competition among renewable water (now including reservoirs), non-renewable groundwater, and desalination. Our approach consists of developing the GLObal Reservoir Yield (GLORY) model, which uses a linear programming (LP)-based optimization algorithm and dynamically linking GLORY with GCAM. The new coupled GCAM–GLORY approach improves the representation of reservoir water storage in GCAM in several ways. First, the GLORY model identifies the cost of supplying increasing levels of water supply from reservoir storage by considering regional physical and economic factors, such as evolving monthly reservoir inflows and demands, and the leveled cost of constructing additional reservoir storage capacity. Second, by passing those costs to GCAM, GLORY enables the exploration of future regional reservoir expansion pathways and their response to climate and socioeconomic drivers. To guide the model toward reasonable reservoir expansion pathways, GLORY applies a diverse array of feasibility constraints related to protected land, population, water sources, and cropland. Finally, the GLORY–GCAM feedback loop allows evolving water demands from GCAM to inform GLORY, resulting in an updated supply curve at each time step, thus enabling GCAM to establish a more meaningful economic value of water. This study improves our understanding of the sensitivity of reservoir water supply to multiple physical and economic dimensions, such as sub-annual variations in climate conditions and human water demands, especially for basins experiencing socioeconomic droughts.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2001

Effect of Under-Resolved Grids on High Order Methods

There has been much discussion on verification and validation processes for establishing the credibility of CFD simulations. Since the early 1990s, many of the aeronautical and mechanical engineering related reference journals mandated that any accepted articles in numerical simulations (without known solutions to compared with) need to perform a minimum of one level of grid refinement and time step reduction. Due to the difficulty in analysis, the effect of under-resolved grids and the nonlinear behavior of available spatial discretizations, are scarcely discussed in the literature. Here, an under-resolved numerical simulation is one where the grid spacing being used is too coarse to resolve the smallest physically relevant scales of the chosen continuum governing equations that are of interest to the numerical modeler. With the advent of new developments in fourth-order or higher spatial schemes, it has become common to regard high order schemes as more accurate, reliable and require less grid points. The danger comes when one tries to perform computations with the coarsest grid possible while still hoping to maintain numerical results sufficiently accurate for complex flows, and especially, data-limited problems. On one hand, high order methods when applies to highly coupled multidimensional complex nonlinear problems might have different stability, convergence and reliability behavior than their well studied low order counterparts, especially for nonlinear schemes such as TVD, MUSCL with limiters, ENO, WENO and discrete Galerkin. On the other hand, high order methods involve more operation counts and systematic grid convergence study can be time consuming and prohibitively expansive. At the same time it is difficult to fully understand or categorize the different nonlinear behavior of finite discretizations, especially at the limits of under-resolution when different types of bifurcation phenomena might occur, depending on the combination of grid spacings, time steps, initial conditions and numerical treatments of boundary conditions.

Yee, H. C.↗

DOE OSTI2024

A Measurement-Based Adaptive Voltage Regulation Method Considering Topology Changes

This paper proposes an online adaptive data-driven distributed energy resource (DER) dispatch optimization method for voltage control considering topology changes. By using a local sensitivity factor (LSF)-enabled voltage control, traditional DER control can be reformulated into a linear programming (LP) problem, leading to faster computation speeds. Power injection alteration and topology changes are two common operational changes in the distribution network that can affect the LSF and voltage control performance. To address this issue, a robust estimation method is developed to adjust the sensitivity matrix at each time step for the time-varying power injection changes. When topology changes occur, only the allocated predominant LSF submatrices are updated based on measurement data, allowing for a fast adaptation to the system reconfiguration. Results obtained from a real distribution feeder in Southern California demonstrate its robustness as compared to traditional volt-var control and constant LSF matrix dispatch control methods.

DERs↗

DOE OSTI2021

Distributed Optimization for Nonrigid Nano-Tomography

Resolution level and reconstruction quality in nano-computed tomography (nano-CT) are in part limited by the stability of microscopes, because the magnitude of mechanical vibrations during scanning becomes comparable to the imaging resolution, and the ability of the samples to resist radiation induced deformations during data acquisition. In such cases, there is no incentive in recovering the sample state at different time steps like in time-resolved reconstruction methods, but instead the goal is to retrieve a single reconstruction at the highest possible spatial resolution and without any imaging artifacts. Here we propose a distributed optimization solver for tomographic imaging of samples at the nanoscale. Our approach solves the tomography problem jointly with projection data alignment, nonrigid sample deformation correction, and regularization. Projection data consistency is regulated by dense optical flow estimated by Farneback's algorithm, leading to sharp sample reconstructions with less artifacts. Synthetic data tests show robustness of the method to Poisson and low-frequency background noise. We accelerated the solver on multi-GPU systems and validated the method on three nano-imaging experimental data sets.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Improved Water Sound Synthesis using Coupled Bubbles

We introduce a practical framework for synthesizing bubble-based water sounds that captures the rich inter-bubble coupling effects responsible for low-frequency acoustic emissions from bubble clouds. We propose coupled-bubble oscillator models with regularized singularities, and techniques to reduce the computational cost of time stepping with dense, time-varying mass matrices. Airborne acoustic emissions are estimated using finite-difference time-domain (FDTD) methods. We propose a simple, analytical surface-acceleration model, and a sample-and-hold GPU wavesolver that is simple and faster than prior CPU wavesolvers. Sound synthesis results are demonstrated using bubbly flows from incompressible, two-phase simulations, as well as procedurally generated examples using single-phase FLIP fluid animations. Our results demonstrate sound simulations with hundreds of thousands of bubbles, and perceptually significant frequency transformations with fuller low-frequency content.

Computer Science↗

NASA NTRS1981

Implicit calculations of transonic flows using monotone methods

Implicit approximate-factorization algorithms have been developed that use monotone methods for the calculation of steady and unsteady transonic flows governed by the small-disturbance-potential equation. These algorithms use the new Engquist-Osher switch in the type-dependent differencing in place of the standard Murman-Cole switch. The resulting algorithms are more stable; hence, calculations can be done more efficiently. For steady flows, the convergence rate is about 35% faster, and for unsteady flows the allowable time step is about 10 times larger. These improvements are achieved with no increase in computer storage and with only minor modifications in codes that use the Murman-Cole switch. Also an implicit algorithm has been developed for the steady full-potential equation in one-dimension, which uses monotone methods.

Goorjian, P. M.↗

NASA NTRS1986

Reduction of the effects of the communication delays in scientific algorithms on message passing MIMD architectures

The efficient implementation of algorithms on multiprocessor machines requires that the effects of communication delays be minimized. The effects of these delays on the performance of a model problem on a hypercube multiprocessor architecture is investigated and methods are developed for increasing algorithm efficiency. The model problem under investigation is the solution by red-black Successive Over Relaxation YOUN71 of the heat equation; most of the techniques described here also apply equally well to the solution of elliptic partial differential equations by red-black or multicolor SOR methods. Methods for reducing communication traffic and overhead on a multiprocessor are identified and results of testing these methods on the Intel iPSC Hypercube reported. Methods for partitioning a problem's domain across processors, for reducing communication traffic during a global convergence check, for reducing the number of global convergence checks employed during an iteration, and for concurrently iterating on multiple time-steps in a time-dependent problem. Empirical results show that use of these models can markedly reduce a numewrical problem's execution time.

Saltz, J. H.↗

NASA NTRS1988

A numerical method for predicting hypersonic flowfields

The flow about a body traveling at hypersonic speed is energetic enough to cause the atmospheric gases to react chemically and reach states in thermal nonequilibrium. In this paper, a new procedure based on Gauss-Seidel line relaxation is shown to solve the equations of hypersonic flow fields containing finite reaction rate chemistry and thermal nonequilibrium. The method requires a few hundred time steps and small computer times for axisymmetric flows about simple body shapes. The extension to more complex two-dimensional body geometries appears straightforward.

Maccormack, Robert W.↗

NASA NTRS1989

A time accurate finite volume method for propulsion chamber flows

An implicit three-dimensional time-accurate method for propulsion chamber flows is proposed which uses line Gauss-Seidel relaxation and multiple axial sweeps for the convergence of each time step. The general time-integration algorithm employed includes such schemes as the Euler implicit method. The results of spatial and temporal accuracy tests reveal that Roe's (1981) flux difference splitting provides excellent tracking of acoustic wave speeds. In comparison with other methods, no low mean flow Mach number convergence limitation or Courant number stabilization restriction is observed.

Beddini, R. A.↗

NASA NTRS1990

Mapping unstructured grid problems to the connection machine

We present a highly parallel graph mapping technique that enables one to solve unstructured grid problems on massively parallel computers. Many implicit and explicit methods for solving discretizated partial differential equations require each point in the discretization to exchange data with its neighboring points every time step or iteration. The time spent communicating can limit the high performance promised by massively parallel computing. To eliminate this bottleneck, we map the graph of the irregular problem to the graph representing the interconnection topology of the computer such that the sum of the distances that the messages travel is minimized. We show that, in comparison to a naive assignment of processors, our heuristic mapping algorithm significantly reduces the communication time on the Connection Machine, CM-2.

Hammond, Steven W.↗

NASA NTRS2002

A Numerical Scheme for Ordinary Differential Equations Having Time Varying and Nonlinear Coefficients Based on the State Transition Matrix

A variable order method of integrating initial value ordinary differential equations that is based on the state transition matrix has been developed. The method has been evaluated for linear time variant and nonlinear systems of equations. While it is more complex than most other methods, it produces exact solutions at arbitrary time step size when the time variation of the system can be modeled exactly by a polynomial. Solutions to several nonlinear problems exhibiting chaotic behavior have been computed. Accuracy of the method has been demonstrated by comparison with an exact solution and with solutions obtained by established methods.

Bartels, Robert E.↗

DOE OSTI2023

Vehicle control based on infrastructure and other vehicles

Vehicle controller circuitry for a subject vehicle to determine vehicle constraints including predicted values for vehicle speed of at least one other vehicle and predicted values of for vehicle position of the at least one other vehicle relative to the subject vehicle, wherein the vehicle constraints are determined at predetermined time steps (k) over a time horizon (Th).

Sarlashkar, Jayant V.↗

NASA NTRS2019

Real-Time Modeling of Thermal Interactions in Cryogenic Ball Bearings

Based on the integration of classical differential equations of motion of bearing elements, a real-time dynamic simulation of ball bearing performance is coupled with simultaneous modeling of thermal interactions between the bearing elements. The transient heat generations are time averaged over a significantly larger time step before they are used to compute the changes in bearing temperature fields. Such an averaging algorithm eliminates the numerical difficulties associated with simultaneous integration of mechanical thermal differential equations with vastly different time scales. Under stable operation, the step change in temperatures at each thermal time step converges to a steady-state solution. Following is a list of accomplishments in the present investigation: (1) A real-time dynamic performance of both 440C and hybrid ball bearings in a LOX environment is modeled in both transient and steady-state time domains, as the inner race accelerates to a prescribed operating speed. (2) The frictional interactions at the ball to race contacts are modeled by experimentally measured traction coefficients as a function of slide-to-roll ratios. (3) Bearing heat generation, as defined by the heat transferred to circulating LOX, is validated against experimental values determined by measured LOX temperatures under prescribed pressures and flow rates. The predicted heat generation is in good agreement with the experimental values. (4) The steady-state solutions are shown to be independent of initial conditions. This establishes convergence of the numerical integration of a differential equation of motion of the bearing elements. (5) Churning and drag losses in the circulating LOX constitutes the majority of bearing heat generation under the experimental test conditions. (6) The heat dissipated in frictional interactions in hybrid bearings is significantly lower in hybrid bearings in comparison to that simulated in all-steel bearings, while the churning and drag losses are relatively unchanged.

Gupta, P. K.↗

DOE OSTI2020

Landslide monitoring using seismic refraction tomography – The importance of incorporating topographic variations

Seismic refraction tomography provides images of the elastic properties of subsurface materials in landslide settings. Seismic velocities are sensitive to changes in moisture content, which is a triggering factor in the initiation of many landslides. However, the application of the method to long-term monitoring of landslides is rarely used, given the challenges in undertaking repeat surveys and in handling and minimizing the errors arising from processing time-lapse surveys. This work presents a simple method and workflow for producing a reliable time-series of inverted seismic velocity models. This method is tested using data acquired during a recent, novel, long-term seismic refraction monitoring campaign at an active landslide in the UK. Potential sources of error include those arising from inaccurate and inconsistent determination of first-arrival times, inaccurate receiver positioning, and selection of inappropriate inversion starting models. At our site, a comparative analysis of variations in seismic velocity to real-world variations in topography over time shows that topographic error alone can account for changes in seismic velocity of greater than ±10% in a significant proportion (23%) of the data acquired. The seismic velocity variations arising from real material property changes at the near-surface of the landslide, linked to other sources of environmental data, are demonstrated to be of a similar magnitude. Over the monitoring period we observe subtle variations in the bulk seismic velocity of the sliding layer that are demonstrably related to variations in moisture content. This highlights the need to incorporate accurate topographic information for each time-step in the monitoring time-series. The goal of the proposed workflow is to minimize the sources of potential errors, and to preserve the changes observed by real variations in the subsurface. Following the workflow produces spatially comparable, time-lapse velocity cross-sections formulated from disparate, discretely-acquired datasets. These practical steps aim to aid the use of the seismic refraction tomography method for the long-term monitoring of landslides prone to hydrological destabilization.

Whiteley, J. S.↗

DOE OSTI2020

Nonoverlapping Localized Exponential Time Differencing Methods for Diffusion Problems

In this paper, we propose nonoverlapping localized exponential time differencing (ETD) methods for diffusion problems. The model time-dependent diffusion equation is first reformulated on subdomains based on the nonoverlapping domain decomposition, in which Neumann boundary conditions are imposed on the interfaces for the subdomain problems and Dirichlet type conditions are enforced to form a space-time interface problem. After spatial discretization by standard central finite differences and temporal integration with the first or second order ETD methods, the fully discrete interface problem is obtained. Such an interface problem is then solved iteratively either at each time step or over the whole time interval: the former involves the solution of stationary problems in each subdomain at each iteration while the latter involves the solution of time-dependent subdomain problems at each iteration. For both approaches, we prove that localized ETD solutions conserve mass exactly and converge in time to the exact space semidiscrete solution. Numerical experiments in two dimensions are also presented to illustrate the performance of the proposed methods.

Mass conservation↗