SEARCH · Engineering Papers

Results for “distributed simulation”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 919 records · Page 51

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Simulation as a sustainable trading zone: Aiming at intergenerational justice

The paper, drawing on the example of simulation codes used in nuclear physics and high-energy physics, seeks to call attention to the ethical implications of discontinuing support for simulation codes and the loss of knowledge embodied in them. Predicated on the concept of trading zones and actor network models, the paper addresses the problem of extinction of simulation codes and attempts to understand their evolution and development within those frameworks. We show that simulation codes of closed type develop to the level of creoles, becoming local languages and standards of scientific centers and disappearing as their few main developers leave, whereas codes of open types become universal languages, imposing problemsolving patterns on the entire community and crowding out other codes. The paper suggests that because of simulations’ reliance on tacit knowledge, practices entrenched in codes cannot be exhaustively explicated or transmitted through writing alone; on the contrary, the life cycle of a simulation code is determined by the life cycle of its trading zone. We examine the extent to which both of these phenomena pose a risk to the preservation of knowledge. Bearing upon intergenerational ethics, we draw analogies between the pure intergenerational problem (PIP) and the problem of preserving the knowledge implemented in simulation codes and transmitting it to future generations. We argue that for the complete transfer of knowledge, it is necessary to develop and maintain inhabitability and sustainability of simulation trading zones in a controllable way, at least until the demand for these codes is warranted to cease in the future.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2013

Statistical ensemble analysis for simulating extrinsic noise-driven response in NF-κB signaling networks

Background: Gene expression profiles and protein dynamics in single cells have a large cell-to-cell variability due to intracellular noise. Intracellular fluctuations originate from two sources: intrinsic noise due to the probabilistic nature of biochemical reactions and extrinsic noise due to randomized interactions of the cell with other cellular systems or its environment. Presently, there is no systematic parameterization and modeling scheme to simulate cellular response at the single cell level in the presence of extrinsic noise. Results: In this paper, we propose a novel statistical ensemble method to simulate the distribution of heterogeneous cellular responses in single cells. We capture the effects of extrinsic noise by randomizing values of the model parameters. In this context, a statistical ensemble is a large number of system replicates, each with randomly sampled model parameters from biologically feasible intervals. We apply this statistical ensemble approach to the well-studied NF-κB signaling system. We predict several characteristic dynamic features of NF-κB response distributions; one of them is the dosage-dependent distribution of the first translocation time of NF-κB. Conclusion: The distributions of heterogeneous cellular responses that our statistical ensemble formulation generates reveal the effect of different cellular conditions, e.g., effects due to wild type versus mutant cells or between different dosages of external stimulants. Distributions generated in the presence of extrinsic noise yield valuable insight into underlying regulatory mechanisms, which are sometimes otherwise hidden.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Validating quantum-classical programming models with tensor network simulations

The exploration of hybrid quantum-classical algorithms and programming models on noisy near-term quantum hardware has begun. As hybrid programs scale towards classical intractability, validation and benchmarking are critical to understanding the utility of the hybrid computational model. In this paper, we demonstrate a newly developed quantum circuit simulator based on tensor network theory that enables intermediate-scale verification and validation of hybrid quantum-classical computing frameworks and programming models. We present our tensor-network quantum virtual machine (TNQVM) simulator which stores a multi-qubit wavefunction in a compressed (factorized) form as a matrix product state, thus enabling single-node simulations of larger qubit registers, as compared to brute-force statevector simulators. Our simulator is designed to be extensible in both the tensor network form and the classical hardware used to run the simulation (multicore, GPU, distributed). The extensibility of the TNQVM simulator with respect to the simulation hardware type is achieved via a pluggable interface for different numerical backends (e.g., ITensor and ExaTENSOR numerical libraries). We demonstrate the utility of our TNQVM quantum circuit simulator through the verification of randomized quantum circuits and the variational quantum eigensolver algorithm, both expressed within the eXtreme-scale ACCelerator (XACC) programming model.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Stochastic parametric skeletal dosimetry model for humans: General approach and application to active marrow exposure from bone-seeking beta-particle emitters

The objective of this study is to develop a skeleton model for assessing active marrow dose from bone-seeking beta-emitting radionuclides. This article explains the modeling methodology which accounts for individual variability of the macro- and microstructure of bone tissue. Bone sites with active hematopoiesis are assessed by dividing them into small segments described by simple geometric shapes. Spongiosa, which fills the segments, is modeled as an isotropic three-dimensional grid (framework) of rod-like trabeculae that “run through” the bone marrow. Randomized multiple framework deformations are simulated by changing the positions of the grid nodes and the thickness of the rods. Model grid parameters are selected in accordance with the parameters of spongiosa microstructures taken from the published papers. Stochastic modeling of radiation transport in heterogeneous media simulating the distribution of bone tissue and marrow in each of the segments is performed by Monte Carlo methods. Model output for the human femur at different ages is provided as an example. The uncertainty of dosimetric characteristics associated with individual variability of bone structure was evaluated. An advantage of this methodology for the calculation of doses absorbed in the marrow from bone-seeking radionuclides is that it does not require additional studies of autopsy material. The biokinetic model results will be used in the future to calculate individual doses to members of a cohort exposed to 89,90 Sr from liquid radioactive waste discharged to the Techa River by the Mayak Production Association in 1949–1956. Further study of these unique cohorts provides an opportunity to gain more in-depth knowledge about the effects of chronic radiation on the hematopoietic system. In addition, the proposed model can be used to assess the doses to active marrow under any other scenarios of 90 Sr and 89 Sr intake to humans.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2012

Comparison of Gas Puff Imaging Data in NSTX with the DEGAS 2 Simulation

Gas-Puff-Imaging (GPI) is a two dimensional diagnostic which measures the edge D α light emission from a neutral D 2 gas puff nears the outer mid-plane of NSTX. DEGAS 2 is a 3-D Monte Carlo code used to model neutral transport and atomic physics in tokamak plasmas. In this paper we compare measurements of the Dα light emission obtained by GPI on NSTX with DEGAS 2 simulations of D α light emission for specific experiments. Both the simulated spatial distribution and absolute intensity of the D α light emission agree well with the experimental data obtained between ELMs in H-mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2012

Comparison of Gas Puff Imaging Data in NSTX with the DEGAS 2 Simulation

Gas-Puff-Imaging (GPI) is a two dimensional diagnostic which measures the edge D α light emission from a neutral D 2 gas puff nears the outer mid-plane of NSTX. DEGAS 2 is a 3-D Monte Carlo code used to model neutral transport and atomic physics in tokamak plasmas. In this paper we compare measurements of the D α light emission obtained by GPI on NSTX with DEGAS 2 simulations of D α light emission for specific experiments. Both the simulated spatial distribution and absolute intensity of the D α light emission agree well with the experimental data obtained between ELMs in H-mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Molecular level structure in water-alcohol mixtures; from shots to pints: L’Chaim!

The two objectives of this work are to look at the molecular level mixing in water-alcohol liquid mixtures and to determine how well the Effective Fragment Potential (EFP) method performs at describing small, heterogenous water-alcohol mixtures. In this work we look both at small clusters, size 2 – 24 molecules, as well as bulk mixtures, 64 or more molecules. For small clusters (2 – 24 molecules), the molecular structure was studied using the EFP method and MP2. Extensive Monte Carlo/simulated annealing (MC/SA) global optimizations were used to locate low energy structures for all water, alcohol, and water-alcohol mixtures. The alcohols studied include the small, straight-chain, primary alcohols: methanol, ethanol, propanol, and 1-butanol as well as the secondary alcohol 2-butanol, and tertiary butanol. It is shown that a number of low energy mixed clusters retain the structural characteristics of the pure clusters. It is also shown that the EFP method performs well at describing small, heterogenous water-alcohol mixtures. The molecular structure in bulk water, alcohol, and water-alcohol mixtures is studied with the EFP method and molecular dynamics simulations. Radial distribution functions are used to analyze structure and to benchmark the EFP method against experimental results. The effect of alcohol concentration and alcohol chain length on the local structure of water is investigated. Preliminary results indicate that the EFP method can potentially model bulk water-alcohol systems well as compared to experiment. Results on the effects of alcohol chain length are forthcoming.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Future Grid State Modeling for Transactive Systems

The simulation design and evaluation of a transactive energy system is contingent on the setting in which it would exist, which could vary significantly with the many drivers that impact the potential future states of the power system. This report summarizes the development of the Transactive Future Grid State (TFGS) model, which is a lightweight capacity expansion model that will support transactive energy research by allowing users to explore alternative future states. The TFGS model determines the long-term generation capacity needs of a given power system that satisfy specified constraints and support a least cost hourly dispatch. This is accomplished by solving a single optimization problem that simultaneously finds the generation fleet with capacity sufficient to meet peak load and the flexibility to meet hourly operational dispatch, all at lowest cost. The TFGS model was applied to a larger ongoing study taking place that will be simulating how distribution system operators (DSOs) could use a transactive energy system to manage distributed energy resources. The larger study, commonly referred to as the DSO+T study, involves two parallel analyses; one that represents the system today and one that represents a future system with a high degree of renewable energy penetration. The TFGS model provided the generation mix of the high renewable base case. As the TFGS model was being used to provide inputs to the DSO+T study, two issues became apparent. First, additional functionality would have been useful, and second, a larger-than-anticipated amount of user inputs and data were required to successfully use the TFGS model. These discoveries have lead to the recommendation of specific functionality that can be added in future development of the tool.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

FY2022 Progress on Imbibition Testing in Containment Science

Estimation of two-phase fluid flow properties is important to understand and predict water and gas movement through the vadose zone for agricultural, hydrogeological, and engineering applications, such as for vapor-phase contaminant transport and/or containment of noble gases in the subsurface. In this second progress report of FY22, we present two ongoing activities related to imbibition testing on volcanic rock samples. We present the development of a new analytical solution predicting the temperature response observed during imbibition into dry samples, as discussed in our previous first progress report for FY22. We also illustrate the use of a multi-modal capillary pressure distribution to simulate both early- and late-time imbibition data collected on tuff core that can exhibit multiple pore types. These FY22 imbibition tests were conducted for an extended period (i.e., far beyond the time required for the wetting front to reach the top of the sample), which is necessary for parameter estimation and characterization of two different pore types within the samples.

42 ENGINEERING↗

DOE OSTI2023

Simulations Supporting the Development of Northstar's Indirect Beam Parameters Monitoring System

NorthStar Medical Radioisotopes, LLC is planning to produce the important medical radioisotope molybdenum-99 (Mo-99), the parent of technetium-99m (Tc-99m), through photonuclear reactions in molybdenum-100 (Mo-100). In this approach, a target comprising multiple thin disks of enriched molybdenum metal is bombarded with a 40-MeV electron beam. Electrons impinged on the molybdenum target produce bremsstrahlung X-rays that cause the nuclear reaction. Because enriched Mo-100 is expensive, there is a desire to utilize as much beam power as possible to achieve maximum production yield and minimize the size of the target. This requirement leads to very high beam power density (and heat deposition in the target), which creates challenging requirements for the cooling of the target. The critical part of the target is the target window. It separates the high-pressure helium cooled target from the vacuum beamline and the subject of structural and thermal stress. The temperature of the target window is proportional to the energy density deposited by the beam, so it is critical to maintain the desired beam profile on the target window. The feasibility of indirectly monitoring the maximum energy density of the beam on the beam window through beam losses at the main collimator (Collimator) before the production target was verified. A model of the NorthStar beam transport line was constructed for this purpose using MAD-X and Tao/Bmad codes. Beam optics were computed for the standard operational scenario, followed by an investigation involving approximately 400 cases with parameter variations in the last tuning quadrupoles. This was done to assess the correlation between losses in the collimator and the peak energy density on the target. We developed a model to explore the potential application of Optical transition radiation (OTR) for controlling beam parameters in the NorthStar beam delivery system. This model was based on a generic formula derived from the fundamental solution of the inhomogeneous wave equation of the vector potential, and allowed us to consider various surfaces, even those with irregular or random features, using numerical integration. We applied the model to OTR generated by relativistic electrons impacting an Inconel® 718 beam window. We examined cases with different levels of the window’s surface roughness, ranging from 0.5 to 3.0 microns of root square mean (RMS) deviation. The results of the OTR simulations provided distributions of OTR photons that can be used to study the limitations of optical systems for controlling beam parameters.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Physics of the Aurora: Laboratory Measurements of Electron Acceleration by Inertial Alfven Waves (Final Technical Report)

The physics of the aurora is one of the foremost unsolved problems of space physics. The mechanisms responsible for accelerating electrons that precipitate onto the ionosphere are not fully understood. For more than three decades, particle interactions with Alfven waves have been proposed as a possible means for accelerating electrons and generating auroras. Due to the limitations of spacecraft conjunction studies and other multi-spacecraft approaches, it is unlikely that it will ever be possible, through spacecraft observations alone, to confirm definitively the proposed electron acceleration mechanism by making simultaneous measurements of both the accelerated electrons and the inertial Alfven wave responsible for the acceleration. Here, we show laboratory measurements of the resonant transfer of energy from Alfven waves to electrons under conditions relevant to the auroral zone. Experiments are performed by launching Alfven waves and simultaneously recording the electron velocity distribution. Numerical simulations and analytical theory support that the measured energy transfer process produces accelerated electrons capable of reaching auroral energies. The experiments, theory, and simulations demonstrate a clear causal relationship between Alfven waves and accelerated electrons that directly cause auroras.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Simulation Tools for Characterizing Stress Distribution in Laser Welded Dissimilar Joints

This project focuses on developing a thermo-metallurgical-mechanical modeling method to accurately predict the microstructural evolution and residual stress in laser welding between dissimilar metals, such as HSLA steel and high carbon equivalent (CE) gear steel. The method leverages a comprehensive material database to model the temperature and rate dependent phase transformations, along with their associated effects on material properties, such as thermal expansion and flow stress, throughout the welding process. A key innovation is the incorporation of phase transformation and phase-specific properties, which enhances the accuracy of residual stress predictions. The mixture material in the fusion zone due to the dissimilar metals will also be addressed in the numerical model. This is especially critical in scenarios involving phase transformations in the fusion zone and heat-affected zone (HAZ), where the phase changes can induce substantial residual stress variations. The material database has been generated using JMatPro. The modeling approach is implemented through a custom User Material (UMAT) subroutine, executed with the commercial finite element software Abaqus.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Simulation Tools for Characterizing Stress Distribution in Laser Welded Dissimilar Joints

36 MATERIALS SCIENCE↗

DOE OSTI2025

AI Applications to Physics Experiments at Jefferson Lab

We survey how AI/ML is being deployed across Jefferson Lab's experimental and accelerator programs. In EPSCI, Hydra applies computer vision to automate real-time data-quality monitoring across all four experimental halls, replacing manual inspection of hundreds to thousands of histograms per shift. AIEC (AI Experiment Controls) uses ML to stabilize drift chamber gains and is now part of standard CEBAF production running, while AI Optimized Polarization (AIOP) targets autonomous control of polarized targets and photon beam angular alignment. In CASA, cavity fault classification models identify faulted cavities and trip types from waveform data with ~85% and ~78% agreement to labeled data, respectively, and are deployed in production; a separate effort applies LLMs and hybrid search to make the CEBAF operations logbook AI-ready. QCD-focused work includes transformer- and GAN-based generative models for particle-level event simulation, with distributed GAN training scaling studies on Polaris. Additional efforts span ML-on-FPGA for the EIC and a new Data Science Department coordinating anomaly detection, uncertainty quantification, and HPC-scalable ML lab-wide. Collectively, these projects illustrate AI's growing role in improving efficiency across JLab's nuclear physics mission.

Mei, Xinxin [Thomas Jefferson National Accelerator↗

DOE OSTI2010

Benchmark specifications and data requirements for initial modeling of the China experimental fast reactor.

A specification is proposed for an initial transient benchmark analysis of the China Experimental Fast Reactor design based on the analysis capabilities of the SAS4A/SASSYS-1 code. For the initial benchmark, a single-channel protected transient overpower accident is defined. Reactivity feedback coefficients will not be required and simplified material properties are recommended. This report also describes the data required for developing the modeling input. This data includes assembly geometry, reactor power distributions, kinetics and decay heat data, and material properties. Comparisons of benchmark results will take place at a future SAS4A/SASSYS-1 training meeting planned to occur at Argonne National Laboratory. Future benchmark specifications will be planned to expand upon this initial model to include more complex reactivity feedback models, material properties, additional assembly geometry, and primary and intermediate coolant systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Eigenstate entanglement scaling for critical interacting spin chains

With increasing subsystem size and energy, bipartite entanglement entropies of energy eigenstates cross over from the groundstate scaling to a volume law. In previous work, we pointed out that, when strong or weak eigenstate thermalization (ETH) applies, the entanglement entropies of all or, respectively, almost all eigenstates follow a single crossover function. The crossover functions are determined by the subsystem entropy of thermal states and assume universal scaling forms in quantum-critical regimes. This was demonstrated by field-theoretical arguments and the analysis of large systems of non-interacting fermions and bosons. Here, we substantiate such scaling properties for integrable and non-integrable interacting spin-1/2 chains at criticality using exact diagonalization. In particular, we analyze XXZ and transverse-field Ising models with and without next-nearest-neighbor interactions. Indeed, the crossover of thermal subsystem entropies can be described by a universal scaling function following from conformal field theory. Furthermore, we analyze the validity of ETH for entanglement in these models. Even for the relatively small system sizes that can be simulated, the distributions of eigenstate entanglement entropies are sharply peaked around the subsystem entropies of the corresponding thermal ensembles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Network-Cognizant Time-Coupled Aggregate Flexibility of Distribution Systems Under Uncertainties

Increasing integration of distributed energy resources (DERs) within distribution feeders provides unprecedented flexibility at the distribution-transmission interconnection. To exploit this flexibility and to use the capacity potential of aggregate DERs, feasible substation power injection trajectories need to be efficiently characterized. This paper provides an ellipsoidal inner approximation of the set of feasible power injection trajectories at the substation such that for any point in the set, there exists a feasible disaggregation strategy of DERs for any load uncertainty realization. The problem is formulated as one of finding the robust maximum volume ellipsoid inside the flexibility region under uncertainty. Though the problem is NP-hard even in the deterministic case, this paper derives novel approximations of the resulting adaptive robust optimization problem based on optimal second-stage policies. The proposed approach yields less conservative flexibility characterization than existing flexibility region approximation formulations. The efficacy of the proposed method is demonstrated on a realistic distribution feeder.

aggregates↗

DOE OSTI2023

Probabilistic Evaluation of Geomechanical Risks in CO2 Storage: An Exploration of Caprock Integrity Metrics Using a Multilaminate Model

The probabilistic uncertainty assessment of geomechanical risk—specifically, caprock failure—attributable to CO2 injection, as presented in a simplified hypothetical geological model, was the focus of this study. Our approach amalgamates the implementation of a multilaminate model, the creation of a response surface model in conjunction with the Box–Behnken sampling design, the execution of associated numerical modeling experiments, and the utilization of Monte Carlo simulations. Probability distributions to encapsulate the inherent variability (elastic and mechanical properties of the caprock and reservoir) and uncertainty in prediction estimates (vertical displacement, total strain, and F value) were employed. Our findings reveal that the Young modulus of the caprock is a key factor controlling equivalent total strain but is insufficient as a stand-alone indicator of caprock integrity. It is confirmed that the caprock can accommodate significant deformation without failure, if it possesses a low Young’s modulus and high mechanical strength properties, such as the friction angle and uniaxial compressive strength. Similarly, vertical displacement was found to be an unreliable indicator for caprock integrity, as caprock failure can occur across a broad spectrum of vertical displacements, particularly when both the Young modulus and mechanical strength properties have wide ranges. This study introduces the F value as the most dependable indicator for caprock failure, although it is a theoretical attribute (the shortest distance between the Mohr circle and the nearest failure envelope used to measure the sensitivity to failure) and not physically measurable in the field. Deviatoric stress levels were found to vary based on stress regimes, with the maximum levels observed under extensive and compressive stress regimes. In conjunction with the use of the response surface method, this study demonstrates the efficacy of the multilaminate framework and the Mohr–Coulomb constitutive model in providing a simplified, yet effective, probabilistic model of the mechanical behavior of caprock failure, reducing mathematical and computational complexities.

Energy & Fuels↗