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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Toward particle-resolved accuracy in Euler–Lagrange simulations of multiphase flow using machine learning and pairwise interaction extended point-particle (PIEP) approximation

This study presents two different machine learning approaches for the modeling of hydrodynamic force on particles in a particle-laden multiphase flow. Results from particle-resolved direct numerical simulations (PR-DNS) of flow over a random array of stationary particles for eight combinations of particle Reynolds number (Re) and volume fraction (φ) are used in the development of the models. The first approach follows a two-step process. In the first flow prediction step, the perturbation flow due to a particle is obtained as an axisymmetric superposable wake using linear regression. In the second force prediction step, the force on a particle is evaluated in terms of the perturbation flow induced by all its neighbors using the generalized Faxén form of the force expression. In the second approach, the force data on all the particles from the PR-DNS simulations are used to develop an artificial neural network (ANN) model for direct prediction of force on a particle. Due to the unavoidable limitation on the number of fully resolved particles in the PR-DNS simulations, direct force prediction with the ANN model tends to over-fit the data and performs poorly in the prediction of test data. In contrast, due to the millions of grid points used in the PR-DNS simulations, accurate flow prediction is possible, which then allows accurate prediction of particle force. This hybridization of multiphase physics and machine learning is particularly important, since it blends the strength of each, and the resulting pairwise interaction extended point-particle model cannot be developed by either physics or machine learning alone.

42 ENGINEERING↗
DOE OSTI2015

Single-point parallel disk correction for asymptotically nonlinear oscillatory shear

We derive exact single-point corrections for parallel disk measurements of all four asymptotically nonlinear measures under strain-controlled oscillatory shear. In this regime, sometimes called medium-amplitude oscillatory shear (MAOS), the derivatives appearing in the general stress correction are constant over the range of interest. This enables an exact single-point correction of all four shear stress components and material functions in the asymptotically nonlinear regime. This greatly simplifies the data processing and allows convenient measurements of true nonlinear material functions with parallel disk geometries. We use a strain amplitude expansion for the stress response, introducing a general non-integer strain amplitude scaling for the leading order nonlinearity, σ ~ γ α , where typically α = 3 has been assumed in the past. The stress corrections are a multiplicative amplification by a factor f(α) = α+3/4, shown for the first time for all four asymptotically nonlinear coefficients. Experimental measurements are presented for the four asymptotically nonlinear signals on an entangled polymer melt of cis-1,4-polyisoprene, using both parallel disk and cone fixtures. The polymer melt follows a cubic (α = 3) strain amplitude scaling in the MAOS regime. Furthermore, the theoretical corrections indicate a 50 % amplification of the apparent signals measured with the parallel disk fixture. The corrected (amplified) signals match the measurements with the cone.

42 ENGINEERING↗
DOE OSTI2018

A new Uzawa method for fourth-order block saddle point problems

In this paper, we first propose a new Uzawa-SOR method for fourth-order block saddle point problems. Then we study its convergence conditions through some lemmas and theorems. Finally, the numerical results are presented to prove the 4-USOR method we proposed has less workload per iteration and higher accuracy for large linear system than the other Uzawa-type methods for solving the fourth-order block saddle point problem, which shows the effectiveness and feasibility of our method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Utilization of ACE nuclear data file toolkit ACEtk to calculate relative sensitivity coefficients of point-kinetics parameters

Sensitivity and uncertainty methods are quintessential for nuclear criticality safety and experiment design. This type of analysis relies on calculations of sensitivity coefficients; sensitivity coefficients of the effective neutron multiplication factor with respect to some nuclear data are predominantly calculated and used. As a part of the Laboratory Directed Research & Development project EUCLID (Experiments Underpinned by Computational Learning for Improvements in nuclear Data) at Los Alamos National Laboratory, sensitivity coefficients of many radiation detector measurement responses with respect to nuclear data were investigated. Specifically, this paper outlines a method to calculate point-kinetics parameters relative sensitivity coefficients with respect to nuclear data. Point-kinetics parameters such as the prompt neutron decay constant, effective delayed neutron fraction, and neutron generation time are especially important to experimenters and reactor operators designing systems with dynamic neutron populations. This method couples capabilities of the ACE (A Compact ENDF) nuclear data file toolkit, ACEtk, with the ability to load cross sections into the radiation transport code Monte Carlo N-Particle (MCNP). In conclusion, key aspects of optimizing this method for a particular application and sensitivity profiles of the Jezebel criticality experiment are examined and discussed.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2017

An enhanced SOCP-based method for feeder load balancing using the multi-terminal soft open point in active distribution networks

The integration of distributed generators (DGs) exacerbates the feeder power flow fluctuation and load unbalanced condition in active distribution networks (ADNs). The unbalanced feeder load causes inefficient use of network assets and network congestion during system operation. The flexible interconnection based on the multi-terminal soft open point (SOP) significantly benefits the operation of ADNs. The multi-terminal SOP, which is a controllable power electronic device installed to replace the normally open point, provides accurate active and reactive power flow control to enable the flexible connection of feeders. An enhanced SOCP-based method for feeder load balancing using the multi-terminal SOP is proposed in this paper. Furthermore, by regulating the operation of the multi-terminal SOP, the proposed method can mitigate the unbalanced condition of feeder load and simultaneously reduce the power losses of ADNs. Then, the original non-convex model is converted into a second-order cone programming (SOCP) model using convex relaxation. In order to tighten the SOCP relaxation and improve the computation efficiency, an enhanced SOCP-based approach is developed to solve the proposed model. Finally, case studies are performed on the modified IEEE 33-node system to verify the effectiveness and efficiency of the proposed method.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Impact of air distribution on dew point evaporative cooler thermal performance

A new geometry of the dew-point indirect evaporative cooler structure was proposed which enables uniform distribution of water in the working channels and application in traditional air handling units. This arrangement requires a complicated structure of the product channel in which the air is cooled. Further, the airflow direction changes and complicated structure it is associated with local losses affecting the total pressure loss. High-pressure drop limits the use of this dew point evaporative cooler as an alternative source of cooling. Therefore, a verified method based on numerical fluid dynamics (CFD) was used to determine the pressure drop and air distribution in the exchanger. The combination of the CFD method and modified epsilon-NTU allows the thermal performance of the device including the uniformity of air distribution, cooling capacity, and coefficient of performance to be determined. Finally, the appropriate exchanger dimensions, i.e., the channel height, or final distribution regulation may be found depending on the exchanger application.

42 ENGINEERING↗
DOE OSTI2020

Performance study of a novel dew point evaporative cooler in the climate of central Europe using building simulation tools

This paper presents the performance research of a hybrid air conditioning system (System II) equipped with novel dew point evaporative cooler (DPIEC) for a retail building located in temperate climatic conditions. The new cooler has a dedicated, adaptable structure that maximizes its performance in the climate conditions of central Europe. The unit can operate as a typical regenerative air cooler when outdoor air is drier than indoor air, it can operate as a counter-flow heat recovery unit when indoor conditions are more dry than outdoor and it can operate as a combination of both arrangements. The year-round, hourly-stepped building energy simulations were carried-out using a prognostic tool of energy consumption. The novel dew point evaporative cooler application potential was established using the black-box model based on regression equations was established based on experimental tests on a prototype of novel DPIEC. The hybrid system operation was compared to the typical air handling unit equipped with a standard energy wheel for heat recovery (System I). Presented research shows that DPIEC can cover about 95% of total cooling loads while the energy wheel covers only 9% of total cooling load. System II allows us to save 65% of seasonal electricity consumption comparing to System I. It comes from the fact that during most of the cooling season DPIEC is in operation and it covers most of the cooling loads without the need to switch the chilled water system.

Air conditioning↗
DOE OSTI2024

Point containment algorithms for constructive solid geometry with unbounded primitives

Here, we present several algorithms for evaluating point containment in constructive solid geometry (CSG) trees with unbounded primitives. Three algorithms are presented based on postfix, prefix, and infix notations of the CSG binary expression tree. We show that prefix and infix notations enable short-circuiting logic, which reduces the number of primitives that must be checked during point containment. To evaluate the performance of the algorithms, each algorithm was implemented in the OpenMC Monte Carlo particle transport code, which relies on CSG to represent solid bodies through which subatomic particles travel. Two sets of tests were carried out. First, the execution time to generate a rasterized image of a 2D slice of three CSG models of varying complexity was measured. Use of both prefix and infix notations offered significant speedup over the postfix notation that has traditionally been used in particle transport codes, with infix resulting in a 6 x reduction in execution time relative to postfix for a model of a tokamak fusion device. We then measured the execution time of neutron transport simulations of the same three models using each of the algorithms. The results and performance improvements reveal the same trends as for the rasterization test, with a 5.52 x overall speedup using the infix notation relative to the original postfix notation in OpenMC for the tokamak model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Representing ductile damage with the dual domain material point method

In this study, we incorporate a ductile damage material model into a computational framework based on the Dual Domain Material Point (DDMP) method. As an example, simulations of a flyer plate experiment involving ductile void growth and material failure are performed. The results are compared with experiments performed on high purity tantalum. We also compare the numerical results obtained from the DDMP method with those obtained from the traditional Material Point Method (MPM). Effects of an overstress model, artificial viscosity, and physical viscosity are investigated. Our results show that a physical bulk viscosity and overstress model are important in this impact and failure problem, while physical shear viscosity and artificial shock viscosity have negligible effects. A simple numerical procedure with guaranteed convergence is introduced to solve for the equilibrium plastic state from the ductile damage model.

36 MATERIALS SCIENCE↗
DOE OSTI2020

IGA-MPM: The Isogeometric Material Point Method

In this work, we propose the use of Isogeometric Analysis (IGA) within the context of the Material Point Method (MPM), and refer to the approach as IGA-MPM. We use the idea of IGA, and its instantiation based on Non-Uniform Rational B-Splines (NURBS), to build higher-order accurate and smooth approximation for MPM. Higher-order smoothness yields a continuous representation of the strain rate, and, as a result, prevents jumps in the stress and other history variables as the material points cross the element boundaries. Furthermore, NURBS can exactly represent all conic sections and the corresponding symmetries in the solution, which may be important in some applications. Several numerical examples of increasing complexity are presented, and show the ability of IGA-MPM to eliminate the well known cell-crossing instability of the conventional MPM. In addition, the examples presented demonstrate improved accuracy, convergence, and symmetry preservation of IGA-MPM compared to the conventional MPM, both for rectilinear and curved geometries.

42 ENGINEERING↗
DOE OSTI2022

A finite micro-rotation material point method for micropolar solid and fluid dynamics with three-dimensional evolving contacts and free surfaces

This paper introduces an explicit material point method designed specifically for simulating the micropolar continuum dynamics in the finite deformation and finite microrotation regime. The material point method enables us to simulate large deformation problems while circumventing the potential mesh distortion without remeshing. To eliminate rotational motion damping and loss of angular momentum during the projection, we introduce the mapping for microinertia and angular momentum between particles and grids through the affine particle-in-cell approach. The microrotation and the curvature at each particle are updated through zero-order forward integration of the microgyration and its spatial gradient. We show that the microinertia and the angular momentum are conserved during the projections between particles and grids in our formulation. We verify the formulation and implementation by comparing with the analytical dispersion relation of micropolar waves under the small strain and small microrotation, as well as the analytical soliton solution for solids undergoing large deformation and large microrotation. Additionally we also demonstrate the capacity of the proposed computational framework to handle a wide spectrum of simulations that exhibit size effects in the geometrical nonlinear regime through three representative numerical examples, i.e., a cantilever beam torsion problem, a fragment-impact penetration problem, and a micropolar fluid discharging problem.

42 ENGINEERING↗
DOE OSTI2023

A subdivision-stabilized B-spline mixed material point method

Subjected to external loadings, polymeric materials, e.g., biological tissues, hydrogels, and elastomers, may undergo extreme, nearly incompressible, (self-)contact deformations. For numerical modeling employing mesh-based techniques such as the finite element method (FEM), these deformations pose significant challenges due to large distortions in the deformed geometry, accuracy issues stemming from volumetric locking effects, and increased computational cost from complex contact searches. As an alternative to mesh-based methods, the material point method (MPM), a continuum-based particle technique, is gaining attention for its ability to handle extreme distortions and capture no-slip contact without added cost. For nearly incompressible material behaviors, while mixed formulations can address locking effects by treating displacements and pressure as independent fields, they can suffer from numerical instabilities close to the incompressibility limit due to the violation of the inf-sup condition, leading to inaccurate nodal pressure solutions. Here we propose an efficient and stable mixed B-spline material point method with highest achievable regularity for quasi-compressible polymeric materials. Using the two-scale relation of B-splines, we introduce a subdivision-stabilization for the two-field mixed MPM and obtain numerically stable, oscillation-free nodal solutions with equal-order interpolations with optimal regularity. Building on the Eulerian-Lagrangian nature of MPM, a previously-converged solution framework is adopted to mitigate issues related to cell-crossing and numerical fracture artifact present in standard MPM. We assess the stability and accuracy of the developed mixed MPM at large deformations for soft materials through the benchmark Cook’s membrane problem. Additionally, we test the robustness of the proposed MPM by modeling several examples, including the compression and indentation of a circular block into a quasi-compressible substrate and the twisting deformation of a rectangular block. The findings demonstrate the MPM’s capabilities for modeling practical soft material applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Mechanics of point defect diffusion near dislocations and grain boundaries: A chemomechanical framework

Diffusion of point defects during irradiation is simulated via a two-way coupling between mechanical stress and defect diffusion in iron. This diffusion is based on a modified chemical potential that includes not only the local concentration of radiation-induced defects, but also the influence of the residual stress field from both the microstructure (i.e. dislocations or grain boundaries) and the eigenstrain caused by the defects themselves. Defect flux and concentration rates are derived from this chemical potential using Fick’s first and second laws. Mean field rate theory is incorporated to model the annihilation of Frenkel pairs, and increased annihilation near grain boundaries is included based on the elastic energy of each grain boundary. Mechanical equilibrium is coupled with diffusion by computing eigenstrain from point defects and adding this to the total strain. Intrinsic stresses associated with the dislocations and grain boundaries are calculated using dislocation and disclination mechanics. Through this two-way-coupled model, regions of low concentration are seen near grain boundaries, and sink efficiency is calculated for different types of microstructure. Furthermore, the results show that the two-way mechanical coupling has a strong influence on sink efficiency for dislocation loops. The results also suggest that misorientation is a poor metric for determining sink efficiency, with sink density and elastic energy being much more informative.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Impacts of point defects on shallow doping in cubic boron arsenide: A first principles study

Cubic boron arsenide (BAs) stands out as a promising material for advanced electronics, thanks to its exceptional thermal conductivity and ambipolar mobility. However, effective control of p- and n-type doping in BAs poses a significant challenge, mostly as a result of the influence of defects. In the present study, we employed density functional theory (DFT) to explore the impacts of the common point defects and impurities on p-type doping of Be B and Si As , and on n-type doping of Si B and Se As . We found that the most favorable point defects formed by C, O, and Si are C As , O B O As , Si As , C As Si B , and O B Si As , which have formation energies of less than 1.5 eV. While the O impurity detrimentally affects both p- and n-type dopings, C and Si impurities are harmful for n-type dopings, making n-type doping a potential challenge. Interestingly, the antisite defect pair A s B B As benefits both p- and n-type doping. Finally, the doping limitation analysis presented in this study can potentially pave the way for strategic development in the area of BAs-based electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Point defect energetics in gallium arsenide, a comprehensive density functional theory study

In materials, point defects often control or modify functional properties. To predict the performance of materials intended for application in optoelectronic devices, it is imperative to understand the properties of those point defects. For the first time, all six intrinsic defects of GaAs, a key optoelectronics material, and their charge transition levels are calculated using density functional theory with the HSE06 functional. For comparison, both PBE and r 2 SCAN calculations are also carried out. The HSE06 results are found to be in better agreement with experimental data than previous calculations. In conclusion, the importance of using the exact electron exchange present in hybrid functionals and larger supercells to accurately determine defect levels and ground state defect configurations is demonstrated.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Analytical investigation of the dew point water recovery system with potential application for drinking water production

The article presents the analytical investigation of the Dew Point Water Recovery (DPWR) system with potential application for drinking water production. Four different configurations of the DPWR system were proposed, differing in the number and type of dew point cooling exchangers used, and their operation was described using a validated convective heat transfer coefficient mathematical model. It was found that the three stage configu-ration of the DPWR system with a regenerative exchanger has the best water recovery performance, while the three stage configuration with a counter-flow exchanger has the best ratio of energy supplied to the system in relation to the amount of water produced. It was also found that the DPWR system can operate in a wide range of operating conditions with a specific electric energy consumption reaching below 0.9 kWh/m 3 and GOR in the range of 0.36-2.16. What distinguishes the DPWR system from other methods of drinking water production is the ability to work without an additional source of thermal energy apart from the energy of the air supplied to the system. Thanks to this property, the system has the potential to fill the technological gap of a low-energy and easily accessible method of drinking water production.

42 ENGINEERING↗
DOE OSTI2026

Modeling CO 2 flow through faulted/fractured reservoirs using tEDFM in corner-point grids

The interest in underground CO 2 storage has increased significantly over the last decade because of the rising concern about global warming due to the growing levels of greenhouse gases in the atmosphere. Considering that CO 2 accounts for 80% of these greenhouse gases, carbon capture, utilization, and storage (CCUS) is regarded as one of the most direct approaches to achieving the net zero carbon target. Although CO 2 storage in deep saline aquifers and depleted gas reservoirs has been studied extensively, most studies use commercial simulators that model faults/fractures by simply modifying the transmissibility in the direction perpendicular to the fault surfaces. Here, this work shows that this simplistic approach ignores the accelerated flow in the directions parallel to the fault plane, leading to significantly higher leakage along the fault surface. To accurately model the flow of CO 2 in faulted reservoirs, we present the first transient embedded discrete fracture model for corner-point grids (tEDFM-CPG). By comparing the results of the tEDFM-CPG to high-resolution reference solutions, we show that this approach is accurate and efficient at predicting CO 2 flow in faulted/fractured reservoirs. Finally, this work presents the use of mixed reality (MR) to efficiently observe CO 2 gas migration in the interior of these corner-point grid systems.

25 ENERGY STORAGE↗
DOE OSTI2024

Experimental investigation of the small-scale prototype of the dew point water recovery system

The article presents experimental investigation of the Dew Point Water Recovery (DPWR) system designed for clean water recovery using the dew point cooling phenomenon. The technology is a novel distillation process which allows for highly efficient water recovery. It is a first distillation technology which allows for water distillation through direct contact with atmospheric air. The authors designed, built, and tested an original prototype of a laboratory-scale DPWR system to verify its basic operating principles and perform performance analysis. It was shown that on average 10 × 10 −6 m 3 of clean water could be recovered from each cubic meter of the supply air with an average GOR of 1.9. Although the operation of the DPWR system requires electricity to drive fans, pumps and other associated equipment, the actual driving force of the system is thermal energy. The average thermal energy demand of the DPWR system was 370 kWh/m 3 , and more than half of this energy was based on the thermodynamic potential of the supply air. Based on experimental data, the mathematical model of the DPWR system was verified and it was found that the average relative discrepancy in predicting air temperature did not exceed 8%, and in predicting air humidity: 5%. In conclusion, the conducted experiments confirmed that the proposed DPWR system is feasible and has the potential to fill the technological gap in terms of a low-energy and easily accessible water recovery method.

42 ENGINEERING↗