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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 1,207 records · Page 67

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DOE OSTI2019

Hybrid Inverse Parameter Identification of Fully Coupled Ductile Damage Model for Steel Sheet DP600 with Two Different Algorithms: Trust Region and Genetic Algorithms

Ductile damage model has been widely regarded as a valuable method to predict the failure of sheet metal. Based on the thermodynamic theory and continuum damage mechanics, the fully coupled ductile damage model can be developed, which also can better predict the initiation and growth of the fracture. But the identifications of model parameters with theoretical methodology are difficult due to the complex coupling relationships existing among all state variables. The inverse methodology is regarded as a good method to resolve the problem. In this paper, the recently proposed fully coupled ductile damage model is chosen to investigate the deformation behavior of DP600 steel, in which the mixed saturation isotropic and kinematic hardenings are taken into account and fully coupled with the ductile damage. During the identification process, the least square formula of the error between experimental and numerical results is selected as the target function. The trust region algorithm and genetic algorithm are used with the help of MATLAB for the identification of three damage parameters. Finally, by comparing the experimental and numerical results, the validations of two algorithms are proved. The efficiency of the optimization process with trust region algorithm is higher, but with lower accuracy. Meanwhile, the optimization process is greatly affected by the chosen initial values of the ductile damage parameters.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Effect of thermal conditioning on the initiation threshold of secondary high‐explosives

While most performance metrics of high–explosive (HE) based devices like detonation velocity, detonation pressure, and energy output are expected to degrade over time, the evolution of initiation threshold appears less clear, with claims of both increasing and decreasing trends in threshold having been made in the literature. This work analyzes D–optimally designed sequential binary test data for a few thermally conditioned porous–powder and polymer–bonded HE initiator systems using a Bayesian likelihood method employing the probit regression model. Here we find that in most cases the initiation threshold decreases (i.e., sensitivity increases) upon accelerated thermal conditioning. However, such results are nuanced and influenced by factors like the contact area of initiating stimulus, HE characteristics like density and specific surface area, as well as possible thermally induced changes to other materials and interfaces involved.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Resolving discrepancies in the estimation of heavy quark transport coefficients in relativistic heavy-ion collisions

Heavy flavor observables provide valuable information on the properties of the hot and dense quark-gluon plasma (QGP) created in ultrarelativistic nucleus-nucleus collisions. Various microscopic models have successfully described many of the observables associated with its formation. Their transport coefficients differ, however, due to different assumptions about the underlying interaction of the heavy quarks with the plasma constituents, different initial geometries and formation times, different hadronization processes, and a different time evolution of the QGP. In this paper we present the transport coefficients of these models and investigate systematically how some of these assumptions influence the heavy quark properties at the end of the QGP expansion. For this purpose we impose on these models the same initial condition and the same model for the QGP expansion and show that both have considerable influence on R AA and v 2 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Temperature-based reactive flow model for TATB plastic bonded explosives

A new reactive flow model is presented for TATB-based plastic bonded explosives, applicable to shock initiation and detonation problems of differing initial temperature. Temperature disequilibrium is assumed between unreacted explosive, material in the vicinity of compressed defects (called hot spots), and detonation products. The model incorporates temperature-dependent decomposition reaction rates. Arrhenius model parameters were derived from subscale quantum-based molecular dynamics simulations of shock-induced TATB decomposition. Further, a model of detonation carbon aggregation is incorporated, describing the late-time slow release of energy inherent to detonation in TATB-based materials. The predictive ability of the model in the shock initiation regime is tested against recent thin pulse experiments on PBX 9502. Here, the model is found to perform equally well in predicting the size effect curve of ambient, cold, and hot PBX 9502 rate sticks.

Chemistry - Chemical explosives↗

DOE OSTI2019

EGS Collab SIGMA-V Project: Stimulation Investigations for Geothermal Modeling Analysis and Validation Phase 1 Report. For the period February 2017 – March 2019

The EGS Collab project was initiated in March 2017 to enable the subsurface modelling and research community to establish validations against controlled, small-scale, in-situ experiments focused on rock fracture behavior and permeability enhancement. The EGS Collab project is to provide the opportunity for reservoir model prediction and validation, in coordination with in depth analysis of geophysical and other fracture characterization data with an ultimate goal of further elucidating the basic relationship between stress, seismicity and permeability enhancement. In addition, the project is to identify and quantify other key governing parameters that impact permeability as well as understanding how these parameters change throughout the three EGS development phases (identify/characterize site, create reservoir, operate power plant). The project is to use comprehensive instrumentation and data collection effort to inform baseline, predictive, and post stimulation reservoir modeling is essential. This report describes the activities performed in Phase 1 of the project. The work done to date is extensive, and a large number of participants have contributed significant effort to enable project success. From planning to execution, we have stayed on track to address the objectives established by the Department of Energy in the paragraph above.

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

EGS Collab SIGMA-V Project: Stimulation Investigations for Geothermal Modeling Analysis and Validation: For the period February 2017 – March 2019 (Phase 1 Report)

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

Future projections in tropical cyclone activity over multiple CORDEX domains from RegCM4 CORDEX-CORE simulations

The characteristics of tropical cyclone (TC) activity over five TC basins lying within four Coordinated Regional Downscaling Experiment (CORDEX) domains are examined for present and future climate conditions using a new ensemble of simulations completed as part of the CORDEX-CORE initiative with the regional climate model RegCM4. The simulations are conducted at a 25 km horizontal grid spacing and are driven by three CMIP5 general circulation models (GCMs) under two Representative Concentration Pathways (RCP2.6 and RCP8.5). The RegCM4 captures most features of the observed TC climatology, except for the TC intensity, which is thus statistically adjusted using a bias correction procedure to account for the effect of the coarse model resolution. The RegCM4 exhibits an improved simulation of several TC statistics compared to the driving GCMs, over most basins analyzed. In future climate conditions we find significant increases in TC frequency over the North Indian Ocean, the Northwest Pacific and Eastern Pacific regions, which are consistent with an increase in mid-tropospheric relative humidity. The North Atlantic and Australasia regions show a decrease in TC frequency, mostly associated with an increase in wind shear. We also find a consistent increase in future storm rainfall rates associated with TCs and in the frequency of the most intense TCs over most domains. Finally, our study shows robust responses often, but not always, in line with previous studies, still implying the presence of significant uncertainties in the projection of TC characteristics, which need to be addressed using large ensembles of simulations with high-resolution models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

A Functional Central Limit Theorem for the Becker–Döring Model

We investigate the fluctuations of the stochastic Becker–Döring model of polymerization when the initial size of the system converges to infinity. A functional central limit problem is proved for the vector of the number of polymers of a given size. It is shown that the stochastic process associated to fluctuations is converging to the strong solution of an infinite dimensional stochastic differential equation (SDE) in a Hilbert space. We also prove that, at equilibrium, the solution of this SDE is a Gaussian process. The proofs are based on a specific representation of the evolution equations, the introduction of a convenient Hilbert space and several technical estimates to control the fluctuations, especially of the first coordinate which interacts with all components of the infinite dimensional vector representing the state of the process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Development of Kinetic Model for Reactions Between Cu-Containing Multicomponent Slag and Liquid Sulfide Using Coupled Reaction Model

Copper smelting slag contains less than 2 mass pct of Cu oxide and 30–50 mass pct of Fe{sub x}O. Each year, the grade of copper ore decreases, while the amount of slag generated in the copper smelting process increases. In this study, a coupled reaction model to simulate the reaction between multicomponent slag and FeS-based matte was developed using reported thermodynamic data and double-film theory for the recycling of copper smelting slag. The activity coefficients of oxides in the multicomponent slag were calculated using a regular solution. The activity coefficients of Cu{sub 2}O in the slag and those of FeS, Cu{sub 2}S, and CaS in the FeS-based matte used previously reported data. The behaviors of Cu in slag and matte were confirmed by comparing the simulated results and the reported solubility of Cu in the slag in the temperatures ranging from 1473 K to 1573 K. In addition, the effect of the input amount of FeS on the copper content of the slag was verified by comparing the results of reaction model to experimental results. Using the reaction model, the influences of the initial ratio of FeO/SiO{sub 2} of the slag, temperature, and matte composition on the behaviors of Cu in the slag and matte were investigated.

36 MATERIALS SCIENCE↗

DOE OSTI2026

An Anisotropic Yield and Damage Material Model to Improve the Contact Pressure Analysis in a Biomass Shredding System

Size reduction systems used in biomass processing break biomass into smaller pieces by utilizing the kinetic energy from the sharp rotating blades. Abrasive and/or erosive wear caused by biomass comminution results in blade wear of the sharp edged cutters, deteriorating the process efficiency. Here, this study aims to optimize the blade design and improve the system efficiency by attempting to understand the interactions between the blades and biomass particles. Since real-time monitoring of these interactions is impractical during operation, mechanical simulations offer a viable alternative for investigating the shredding process. Yet, the irregular geometry and complex mechanical properties of biomass—such as the anisotropic nature of woodchips and their nonlinear fracture behavior—pose significant challenges for accurately simulating contact pressure. In this work an anisotropic yield material model, along with a damage initiation and evolution function, is applied to the woodchip particle to study the contact pressure on shredder blade, offering a scientific basis for improved blade design and process efficiency. This approach can be extended to other biomass processing systems with similar anisotropic feedstocks, making it a valuable tool for advancing sustainable biomass utilization.

09 - BIOMASS FUELS↗

DOE OSTI2018

Optimization of collision-free paths in a differential-drive robot by a smoothing piecewise-linear approach

This paper presents a methodology for optimizing pre-calculated collision-free paths of differential-drive wheeled robots. The main advantage of this methodology is that optimization is done by considering the kinematics and mechanical constraints of the mobile robot. In accordance to this proposal, the optimized path is achieved by applying recursively a local smoothing on an initial path which is originally modeled as a one-dimensional piecewise linear function. By this recursive smoothing, it can be ensured that the original piecewise linear function can be transformed into a smooth one that fulfill the constraints established by the kinematic equations of the wheeled mobile in terms of a minimum radius of curvature. As a result of this, a trajectory which guarantees lower power consumption and lower mechanical wear, is obtained. To show the better performance of the proposed approach, numerical simulation results are contrasted to those obtained from other reported methods with regards to path length, minimum radius of curvature, cross track error, continuity and resulting acceleration.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Neutron transport methods for multiphysics heterogeneous reactor core simulation in Griffin

Griffin is a reactor physics application based on the Multiphysics Object-Oriented Simulation Environment (MOOSE). This work discloses the methods, algorithms, and implementation for simulating heterogeneous reactor dynamics models. Griffin utilizes a discontinuous finite-element method with discrete ordinates (DFEM-S ) to discretize the field variable of the multigroup neutron transport equation. Multiphysics feedback is handled using two-step tabulated cross-section methodology. Feedback quantities are evaluated using the MOOSE-MultiApp system to couple various engineering phenomena, such as heat conduction and thermal fluids. The multiphysics DFEM-S system is solved using fixed-point iteration with a fully asynchronous parallel sweeper, unstructured coarse-mesh finite difference acceleration, and a multi-timescale improved quasi-static method scheme. The implementation is applied to a multiphysics microreactor model, with two transients: one initiated by a single heat-pipe failure and another by control drum rotation. Importantly, these examples demonstrate the ability of Griffin to tractably solve the neutron transport equation considering seven independent variables and feedback.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Reachability analysis of linear dynamic systems with constant, arbitrary, and Lipschitz continuous inputs

This paper sets forth a method for reachability analysis of linear dynamic systems in continuous time that can be used to compute time-domain bounds of states and outputs with floating-point precision. The focus is on the particular initial conditions and inputs that cause state or output trajectories to attain their extreme values in time. Inputs can be constant, arbitrary, or Lipschitz continuous waveforms. Uncertainties in initial conditions and inputs are modeled using zonotopes. The calculations exploit the definition of zonotopes and the modal information of the linear system dynamics.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Domain-aware Control-oriented Neural Models for Autonomous Underwater Vehicles

Conventional physics-based modeling is a time-consuming bottleneck in control design for complex nonlinear systems like autonomous underwater vehicles (AUVs). In contrast, purely data-driven models, require a large number of observations and lack operational guarantees for safety-critical systems. Data-driven models leveraging available partially characterized dynamics have potential to provide reliable systems models in a typical data-limited scenario for high value complex systems, thereby avoiding months of expensive expert modeling time. In this work we explore this middle-ground between expert-modeled and pure data-driven modeling. We present control-oriented parametric models with varying levels of domain-awareness that exploit known system structure and prior physics knowledge to create constrained deep neural dynamical system models. We employ universal differential equations to construct data-driven blackbox and graybox representations of the AUV dynamics. In addition, we explore a hybrid formulation that explicitly models the residual error related to imperfect graybox models. We compare the prediction performance of the learned models for different distributions of initial conditions and control inputs to assess their suitability for control.

Shaw Cortez, Wenceslao E.↗

DOE OSTI2023

Computational study of the ECN spray C via one-way coupling of internal nozzle flow and ensuing spray

Here, in this study, computational fluid dynamics simulations of the Engine Combustion Network Spray C injector were performed to investigate the effect of the internal nozzle flow on the development of the ensuing spray in automotive fuel injectors. A set of simulation best practices was first developed to achieve an accurate representation of the internal nozzle flow. Detailed, spatiotemporally defined information was extracted at the injector’s orifice exit and stored in maps that were subsequently employed to initialize a Lagrangian spray by means of a static, one-way coupling (OWC) approach. To highlight the impact of the in-nozzle flow on the spray, the OWC approach was compared with the conventional rate-of-injection (ROI) approach, for which the spray parcels are commonly initialized using a blob injection model. The results indicated that, using the ROI approach, considerable evaporation was observed within the plume in the near-nozzle region. On the other hand, the OWC approach showed evidence of evaporation farther downstream and at the plume periphery. The different behavior observed with the two approaches was mostly due to substantial differences in fuel mass distribution. The liquid fuel concentration predicted by the OWC approach matched well with X-ray tomography measurements of projected fuel mass per unit volume, in terms of both magnitude and distribution. In contrast, an unphysical distribution of fuel mass characterized by an extremely low liquid concentration was predicted by the ROI approach. In the far-field, the effect of the in-nozzle flow was found to be weaker as the spray penetrated and interacted with the ambient gas. In this region, the OWC and ROI approaches provided similar predictions of vapor penetration, spray morphology, and mixing-related characteristics.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2016

On the performance of exponential integrators for problems in magnetohydrodynamics

Exponential integrators have been introduced as an efficient alternative to explicit and implicit methods for integrating large stiff systems of differential equations. Over the past decades these methods have been studied theoretically and their performance was evaluated using a range of test problems. While the results of these investigations showed that exponential integrators can provide significant computational savings, the research on validating this hypothesis for large scale systems and understanding what classes of problems can particularly benefit from the use of the new techniques is in its initial stages. Resistive magnetohydrodynamic (MHD) modeling is widely used in studying large scale behavior of laboratory and astrophysical plasmas. In many problems numerical solution of MHD equations is a challenging task due to the temporal stiffness of this system in the parameter regimes of interest. In this paper we evaluate the performance of exponential integrators on large MHD problems and compare them to a state-of-the-art implicit time integrator. Both the variable and constant time step exponential methods of EPIRK-type are used to simulate magnetic reconnection and the Kevin–Helmholtz instability in plasma. Performance of these methods, which are part of the EPIC software package, is compared to the variable time step variable order BDF scheme included in the CVODE (part of SUNDIALS) library. We study performance of the methods on parallel architectures and with respect to magnitudes of important parameters such as Reynolds, Lundquist, and Prandtl numbers. We find that the exponential integrators provide superior or equal performance in most circumstances and conclude that further development of exponential methods for MHD problems is warranted and can lead to significant computational advantages for large scale stiff systems of differential equations such as MHD.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Heavy quark transport: a theoretical overview

A brief overview on heavy-quark-QGP interactions is presented in this work. Theories at different momentum scales are summarized, including the flavor hierarchy of jet energy loss at high pT, hadronization and the charmed hadron chemistry at medium to low pT, and the extraction of the heavy-quark-QGP potential at low pT. Additionally, recent theoretical developments on heavy quark theories are discussed, such as multi-scale transport models of heavy quarks, probing initial state effects and cold nuclear matter effects using heavy quarks, as well as extending studies from single heavy flavor hadrons to heavy flavor jets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Helicity-dependent extension of the McLerran–Venugopalan model

We construct a generalization of the McLerran-Venugopalan (MV) model including helicity effects for a longitudinally polarized target (a proton or a large nucleus). The extended MV model can serve as the initial condition for the helicity generalization of the JIMWLK evolution equation constructed in our previous paper, as well as for calculation of helicity-dependent observables in the quasi-classical approximation to QCD.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗