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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Surface treatment of a sulfide glass solid electrolyte layer

Chemically treating ionically conductive sulfide glass solid electrolyte separators or separator layers can improve performance. In particular, treatment involving chemically etching a surface or surface region of the sulfide glass separator to blunt, lessen or remove edge defects or surface flaws, and/or to enhance surface smoothness is cost effective, reliable and well suited for high production environments compared to physical methods of removing scratches or smoothing surfaces, such as mechanical grinding and polishing.

Visco, Steven J.↗
DOE OSTI2023

Correlated Trajectory Uncertainty for Adaptive Sequential Decision Making

One of the great challenges with decision making tasks on real world systems is the fact that data is sparse and acquiring additional data is expensive. In these cases, it is often crucial to make a model of the environment to assist in making decisions. At the same time, limited data means that learned models are erroneous, making it just as important to equip the model with good predictive uncertainties. In the context of learning sequential decision making policies, these uncertainties can prove useful for informing which data to collect for the greatest improvement in policy performance \citep{mehta2021experimental, mehta2022exploration} or informing the policy about unsure regions of state and action space to avoid during test time \citep{yu2020mopo}. Additionally, assuming that realistic samples of the environment can be drawn, an adaptable policy can be trained that attempts to make optimal decisions for any given possible instance of the environment \citep{ghosh2022offline, chen2021offline}. In this work, we examine the so-called ``probabilistic neural network'' (PNN) model that is ubiquitous in model-based reinforcement learning (MBRL) works. We argue that while PNN models may have good marginal uncertainties, they form a distribution of non-smooth transition functions. Not only are these samples unrealistic and may hamper adaptability, but we also assert that this leads to poor uncertainty estimates when predicting multiple step trajectory estimates. To address this issue, we propose a simple sampling method that can be implemented on top of pre-existing models.We evaluate our sampling technique on a number of environments, including a realistic nuclear fusion task, and find that, not only do smooth transition function samples produce more calibrated uncertainties, but they also lead to better downstream performance for an adaptive policy.

Offline Reinforcement Learning↗
DOE OSTI2025

Demand response of loads having thermal reserves

Systems and methods are described herein that improve grid performance by smoothing demand using thermal reserves. The smoothed demand can reduce peak loads as well as the ramp rate of demand that will otherwise require the use of inefficient, expensive generation sources. These improvements are tied to the selective switching on or off electrical loads that are coupled to thermal reserves, effectively using the thermal reserves as an energy storage mechanism. Historical data of past usage can be used to create load model and ensure that effects on customer comfort are minimized while still accomplishing the beneficial effects for the overall grid, which enables grid owners to both reduce their operational cost by avoiding expensive generation and improve system reliability by achieving more predictable power demand.

Ren, Wei↗
DOE OSTI2021

Meshfree simulation and experimental validation of extreme thermomechanical conditions in friction stir extrusion

Abstract Friction stir extrusion (FSE) is a novel solid-phase processing technique that consolidates and extrudes metal powders, flakes, chips, or billets into high-performance parts by plastic deformation, which has the potential to save substantial processing time and energy. Currently, most studies on FSE are experimental and only a few numerical models have been developed to explain and predict the complex physics of the process. In this work, a meshfree simulation framework based on smoothed particle hydrodynamics (SPH) was developed for FSE. Unlike traditional grid-based methods, SPH is a Lagrangian particle-based method that can handle severe material deformations, capture moving interfaces and surfaces, and monitor the field variable histories explicitly without complicated tracking schemes. These aspects of SPH make it attractive for the FSE process, where in situ evolution of field variables is difficult to observe experimentally. To this end, a 3-D, fully thermomechanically coupled SPH model was developed to simulate the FSE of aluminum wires. The developed model was thoroughly validated by comparing the numerically predicted material flow, strain, temperature history, and extrusion force with experimental results for a certain set of process parameters. The validated SPH model can serve as an effective tool to predict and better understand the extreme thermomechanical conditions during the FSE process.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Meshfree Process Modeling and Experimental Validation of Friction Riveting of Aluminum 5052 to Aluminum 6061

Friction riveting (Fric-riveting) is an innovative, fast, and energy-efficient process for spot-joining metal-metal structures. Although fric-riveting has been studied experimentally in recent years, its process modeling is rarely found in the literature primarily because of the associated large material deformation, extreme thermomechanical conditions, and complex contact conditions. In this work, a mesh-free smoothed particle hydrodynamics (SPH) framework that can well handle the abovementioned numerical challenges is used to simulate the fric-riveting of AA5052 to AA6061. Predicted material morphology, multi-point temperatures, and plunge force are thoroughly validated by experimental observations. The material severe plastic deformation zone in the vicinity of the riveting zone is further predicted by the SPH model, which indicates the material mixing and potential grain refinement zone. Based on the validated model, process parameters can be optimized which yields better performance over the baseline case.

Friction riveting (fric-riveting), Smoothed partic↗
DOE OSTI2025

A Regularized Variance-Reduced Modified Extragradient Method for Stochastic Hierarchical Games

We consider an N -player hierarchical game in which the i th player’s objective comprises of an expectation-valued term, parametrized by rival decisions, and a hierarchical term. Such a framework allows for capturing a broad range of stochastic hierarchical optimization problems, Stackelberg equilibrium problems, and leader-follower games. We develop an iteratively regularized and smoothed variance-reduced modified extragradient framework for iteratively approaching hierarchical equilibria in a stochastic setting. We equip our analysis with rate statements, complexity guarantees, and almost-sure convergence results. We then extend these statements to settings where the lower-level problem is solved inexactly and provide the corresponding rate and complexity statements. Our model framework encompasses many game theoretic equilibrium problems studied in the context of power markets. We present a realistic application to the study of virtual power plants, emphasizing the role of hierarchical decision making and regularization. Preliminary numerics suggest that empirical behavior compares well with theoretical guarantees.

Tikhonov regularization↗
DOE OSTI2022

Predicting the rheology of limestone calcined clay cements (LC 3 ): Linking composition and hydration kinetics to yield stress through Machine Learning

The physicochemical characteristics of calcined clay influence yield stress of limestone calcined clay cements (LC 3 ), but the independent influences the clay's physical and chemical characteristics as well as the effect of other variables on LC 3 rheology are less well-understood. Further, a relationship between LC 3 hydration kinetics and yield stress – important for informing mixture design – has not yet been established. Here, rheological properties were determined in pastes with varying water-to-solid ratio (w/s), constituent mass ratios (PC:metakaolin:limestone), limestone particle size and gypsum content. From these data, an ML model developed allowed the independent examination of the different mechanisms by which metakaolin fraction influences yield stress of LC 3 , identifying four predictors – packing index, Al 2 O 3 /SO 3 , total particle density and metakaolin fraction relative to limestone (MK/LS) – most significant for predicting LC 3 yield stress. A methodology based on kernel smoothing also identified hydration kinetics parameters best correlated with yield stress.

36 MATERIALS SCIENCE↗
DOE OSTI2023

11-th order of accuracy for numerical solution of 3-D Poisson equation with irregular interfaces on unfitted Cartesian meshes

For the first time the optimal local truncation error method (OLTEM) with 125-point stencils and unfitted Cartesian meshes has been developed in the general 3-D case for the Poisson equation for heterogeneous materials with smooth irregular interfaces. The 125-point stencils equations that are similar to those for quadratic finite elements are used for OLTEM. The interface conditions for OLTEM are imposed as constraints at a small number of interface points and do not require the introduction of additional unknowns, i.e., the sparse structure of global discrete equations of OLTEM is the same for homogeneous and heterogeneous materials. The stencils coefficients of OLTEM are calculated by the minimization of the local truncation error of the stencil equations. These derivations include the use of the Poisson equation for the relationship between the different spatial derivatives. Such a procedure provides the maximum possible accuracy of the discrete equations of OLTEM. In contrast to known numerical techniques with quadratic elements and third order of accuracy on conforming and unfitted meshes, OLTEM with the 125-point stencils provides 11-th order of accuracy, i.e., an extremely large increase in accuracy by 8 orders for similar stencils. The numerical results show that OLTEM yields much more accurate results than high-order finite elements with much wider stencils. The increased numerical accuracy of OLTEM leads to an extremely large increase in computational efficiency. Additionally, a new post-processing procedure with the 125-point stencil has been developed for the calculation of the spatial derivatives of the primary function. The post-processing procedure includes the minimization of the local truncation error and the use of the Poisson equation. It is demonstrated that the use of the partial differential equation (PDE) for the 125-point stencils improves the accuracy of the spatial derivatives by 6 orders compared to post-processing without the use of PDE as in existing numerical techniques. At an accuracy of 0.1% for the spatial derivatives, OLTEM reduces the number of degrees of freedom by 900 - 4∙10 6 times compared to quadratic finite elements. The developed post-processing procedure can be easily extended to unstructured meshes and can be independently used with existing post-processing techniques (e.g., with finite elements).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Insights into the failure mode of the Chelyabinsk meteor from high-fidelity simulation

In 2013, an asteroid with a diameter of approximate 20 m broke up in the atmosphere above the Russian city of Chelyabinsk producing what is known as an airburst event. The event was recorded on video from multiple angles and a 500-kg fragment was recovered from Lake Chebarkul shortly thereafter. These aspects, coupled with the asteroid’s large size, distinguish the Chelyabinsk event as unique. In this study, we use the smoothed particle hydrodynamics method to examine the breakup mode of a Chelyabinsk-sized monolithic asteroid and probe whether a monolithic structure is consistent with observations from the Chelyabinsk event. We model the object as a homogeneous sphere with properties consistent with Chelyabinsk meteorites. We use planar-2D simulations to test the sensitivity of results to variations in the material model and to qualitatively inspect the cause of crack nucleation and fragmentation. We then compare results from a 3D simulation to observations from the event. Our 3D simulation predicts a burst height within 3 km of the observed peak luminosity suggesting the responsible asteroid may have been monolithic.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Numerical simulation of asteroid geometry variance on airburst threat

For an atmospheric airburst the primary source of concern when assessing uncertainty is the size and velocity. Determining these properties provides the basis for threat assessment, as the total energy of the asteroid may then be estimated, and the threat investigated thoroughly. Even with clarity as to how much energy an asteroid may deposit, a great deal of uncertainty still exists for the actual energy deposition process. One such source of uncertainty is the geometry of the incoming asteroid. The geometry of an asteroid will alter the stress distribution during entry, which adds uncertainty to when fracture will occur. Here, in this study, we use Smoothed Particle Hydrodynamics to model the atmospheric airburst of Tunguska-scale asteroids with varying geometric profiles, including a sphere, ellipsoid, binary and superellipsoid. Each asteroid is modeled as a homogenous structure with strength. We assess uncertainty through a series of planar 2D simulation cases for each geometry, comparing the source of stochasticity across geometries. A single 3D airburst simulation for each geometry is also analyzed. Additionally, the 3D cases are compared to the highly uncertain Tunguska event, predicting variance in burst height across geometries, but all bounded by theoretical burst heights proposed for Tunguska.

Airburst↗
DOE OSTI2022

FSISPH: An SPH formulation for impacts between dissimilar materials

Here, we present an SPH formulation with several new features designed to better model the fully-compressible interaction of dissimilar materials. We developed the new method to simulate the atmospheric entry and break-up of small celestial bodies in planetary atmospheres. The formulation uses a unity-based, density-energy discretization of the hydrodynamic conservation laws with linear-corrected kernel gradients. To account for variations in compressibility, we use an HLLC approximate Riemann solver to adjust the velocity gradient at material interfaces. To handle large transverse velocity discontinuities, we introduce a simple slip interface model that limits the artificial viscosity at material interfaces. Diffusion is optionally applied through the velocity gradient and this allows the density and specific thermal energy to evolve in a manner more consistent with the first law of thermodynamics in comparison to other more direct diffusion schemes. We also introduce a material-local second-order artificial conduction scheme used to smooth the specific thermal energy field. Material damage fits neatly under this framework by treating the damage front as a material interface. The method has been implemented as a solver, FSISPH, within the code, Spheral++, and is publicly available on github. We test our new solver on a number of classic shock, mixing, and multi-material problem. The components we outline can significantly improve accuracy of SPH for problems with sharp contact discontinuities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

An innovative and alternative approach toward gear fabrication

In this paper, we present the first demonstration of single-step gear manufacturing via an innovative in-situ friction stir forging approach. This novel process is a natural extension to the friction stir processing technique and relies on shear and normal stresses to form the complex shapes. Friction stir welding pin tool with shoulder is plunged at high revolutions per minute (rpm) into the sample to heat it to the desired temperature and enable plastic flow. Then, the tool is forged at high plunge rate to form the desired structurally-sound and defect free complex shapes. To better visualize the process the experiments are complemented by a 3D thermomechanically coupled, smoothed particle hydrodynamics (SPH) model to understand the material flow pattern both radially and through thickness in the gear teeth, plastic strain distribution, and temperature profile. We have demonstrated application of I-FSF to inherently poor formable AZ31 Mg, AA 7075-T6, and AA5083–10 vol% TiB 2 composite and fabricated 14-tooth spur gears from these materials with minimal farther machining. In conclusion, microstructure of the forged gears exhibited a directional material flow pattern due to the normal forging action and refinement of grains to 6–13 μm through dynamically recrystallization across the radial, through-thickness direction, which is in good agreement with the corresponding SPH simulation results.

42 ENGINEERING↗
DOE OSTI2025

Meshfree simulation and prediction of recrystallized grain size in friction stir processed 316L stainless steel

Friction stir processing (FSP) is a promising solid-phase microstructural modification technique that can repair and enhance damaged stainless steel surfaces exposed to harsh environments. The quality of the repaired material is closely correlated to the recrystallized grain size in the stir zone (SZ), which is influenced by the thermomechanical conditions dictated by FSP process parameters. Thus, establishing a reliable relationship between these parameters and recrystallized grain size in the SZ is crucial for optimizing repair quality. However, existing experimental approaches often rely on indirect temperatures measured far from the SZ, along with rough strain rate estimations, which are imprecise and time-consuming. Meanwhile, existing mesh-based modeling methods usually face numerical challenges when dealing with the large material deformations inherent in FSP. Here, to address these issues, this study introduces a meshfree process model for FSP based on the smoothed particle hydrodynamics (SPH) method, aimed at predicting process conditions under different parameters. The model is validated using experimental data from 11 combinations of tool traverse and rotation speeds on 316 L stainless steel. Correlations between process parameters, material flow, temperature, strain, strain rate, and recrystallized grain size are revealed through SPH simulations and electron backscatter diffraction (EBSD) imaging. The results show that in situ SZ temperatures range from 1071 to 1322°C, which exceed the tool temperature by over 300°C. Furthermore, SZ temperature, strain rate, and grain size increase monotonically with higher tool temperature and faster traverse speed. A relationship is then established between the model-predicted Zener-Hollomon parameter and the recrystallized grain size based on EBSD data, expressed as ln(d) = -0.364 ln(Z) + 14.673. Finally, this relationship exhibits satisfactory accuracy with errors of less than 26.9% in predicting grain sizes at various SZ locations, which offers valuable insights for optimizing FSP repair processes for 316 L stainless steel.

316L stainless steel↗
DOE OSTI2021

A continuum meshfree method for sandbox-style numerical modeling of accretionary and doubly vergent wedges

Here, in this study, we introduce and utilize GEOSPH, a Lagrangian particle-based continuum Smoothed Particle Hydrodynamics (SPH) code to simulate the deformation of geologic materials in sandbox-style experiments using an elastoplastic constitutive model. Due to the meshfree nature of SPH, our proposed framework is capable of handling the large deformations characteristic of sandbox-style experiments. SPH is also able to capture strain localization and discontinuities, allowing us to resolve faulting patterns emerging in the sandbox experiments. We successfully validate our SPH implementation against the benchmark experiments of Buiter and co-workers, and then apply SPH to understand the deformational processes occurring in doubly vergent orogens resultant from the S-point experimental setup and from finitely high wedge-like indenter backstops of different inclinations. We find that the topographic slope of the prowedge results from the competing processes of vertical uplift due to the indenter and forward thrusting, while the topographic slope of the retrowedge is a product of repeated shallow slope failure. Our findings show that SPH is a promising numerical method which should be added to the current palette of computational tools used by structural geologists for solving problems relating to tectonics and crustal deformation.

58 GEOSCIENCES↗
DOE OSTI2023

Material flow behavior and microstructural refinement of AA6061 alloy during friction extrusion

In this work we used friction extrusion (FE), a solid phase processing technique, to produce dense, fully consolidated 5?mm rods of aluminum alloy 6061 (AA6061). The combination of large shear stresses and high temperatures at the tool-billet interface during extrusion produced equiaxed, dynamically recrystallized grains and finely distributed precipitates. Texture and microstructure evolution during extrusion was investigated in detail using scanning electron microscopy, electron backscatter diffraction, and transmission electron microscopy. Smoothed particle hydrodynamics simulation was performed to study complex material flow during extrusion. Simulation results suggest spiral material flow during extrusion which corroborated experimental results. Advantages of friction extruded microstructure over conventionally extruded counterparts are also explored using flash annealing for solution treatment followed by artificial aging. Mechanical properties of the as-friction extruded, and the artificially aged specimens were evaluated using tensile testing and compared with conventional extruded material properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

SPH modeling of biomass granular flow: Theoretical implementation and experimental validation

The commercialization of biomass-derived energy is impeded by flowability challenges arising from the feeding and handling of granular biomass materials in full-scale biorefineries. To overcome these obstacles, a robust and accurate model to simulate the flow of granular biomass is indispensable. However, conventional mesh-based numerical codes are limited by inherent mesh distortion in simulating large deformation that commonly occurs in granular biomass handling. Here, in this study, we propose a graphics processing unit (GPU)-accelerated meshless Smoothed Particle Hydrodynamics (SPH) code to model the flow of granular biomass materials. A modified void ratio-based mass conversation, a hybrid particle-to-particle/surface frictional boundary treatment, and a hypoplastic constitutive model are implemented. Four numerical examples, an elastic block sliding on inclined planes, sand column collapse, Angle of Repose, and axial compression tests for pine chips, were simulated using the developed SPH code. The results demonstrate good agreement between numerical predictions and analytical and experimental data for all four examples, validating the SPH code and increasing confidence that it can be applied to simulate more complex granular biomass handling processes, such as hopper feeding or auger conveyance.

09 BIOMASS FUELS↗
DOE OSTI2022

Non-Boussinesq subgrid-scale model with dynamic tensorial coefficients

A major drawback of Boussinesq-type subgrid-scale stress models used in large-eddy simulations is the inherent assumption of alignment between large-scale strain rates and filtered subgrid-stresses. A priori analyses using direct numerical simulation (DNS) data have shown that this assumption is invalid locally as subgrid-scale stresses are poorly correlated with the large-scale strain rates [J. Bardina, J. Ferziger, and W. Reynolds, Improved subgrid-scale models for large-eddy simulation, in Proceedings of the 13th Fluid and Plasmadynamics Conference, AIAA (1980); C. Meneveau and K. Katz, Scale-invariance and turbulence models for large-eddy simulation, Ann. Rev. Fluid Mech. 32, 1 (2000)]. In the present work, a new, non-Boussinesq subgrid-scale model is presented where the model coefficients are computed dynamically. Some previous non-Boussinesq models have observed issues in providing adequate dissipation of turbulent kinetic energy [e.g., Bardina et al., Proceedings of the 13th Fluid and Plasmadynamics Conference (1980); R. A. Clark, J. Ferziger, and W.C. Reynolds. Evaluation of subgrid-scale models using an accurately simulated turbulent flow, J. Fluid Mech. 91, 1 (1979); S. Stolz and N. A. Adams, An approximate deconvolution procedure for large-eddy simulation, Phys. Fluids 11, 1699 (1999)]; however, the present model is shown to provide sufficient dissipation using dynamic coefficients. Modeled subgrid-scale Reynolds stresses satisfy the consistency requirements of the governing equations for large-eddy simulation (LES), vanish in laminar flow and at solid boundaries, and have the correct asymptotic behavior in the near-wall region of a turbulent boundary layer. The new model, referred to as the dynamic tensor-coefficient Smagorinsky model (DTCSM), has been tested in simulations of canonical flows: decaying and forced homogeneous isotropic turbulence, and wall-modeled turbulent channel flow at high Reynolds numbers. The results show favorable agreement with DNS data. It has been shown that DTCSM offers similar predictive capabilities as the dynamic Smagorinsky model for canonical flows. In order to assess the performance of DTCSM in more complex flows, wall-modeled simulations of high Reynolds number flow over a Gaussian bump (Boeing speed bump) exhibiting smooth-body flow separation are performed. Predictions of surface pressure and skin friction, compared against DNS and experimental data, show improved accuracy from DTCSM in comparison to existing static coefficient (Vreman) and dynamic Smagorinsky model. The computational cost of performing LES with this model is up to 15% higher than the dynamic Smagorinsky model.

42 ENGINEERING↗
DOE OSTI2021

Missing-Data Nonparametric Coherency Estimation

Chave recently proposed an estimator for multitaper spectral density where the time series contains missing values. In this article we generalize this technique to a multitaper estimator of coherence and phase and show that one can also obtain bootstrapped confidence intervals. Additionally, we give two examples. The first is a toy example in which the true coherence is known. In the second example we show that the multitaper missing-data coherence estimator computed on real data with a single gap comprising 11% of the data outperforms the Daniell-smoothed coherence estimator where there are no gaps. The case where the two time series have different missing indices is also discussed.

42 ENGINEERING↗