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At least 1,207 records · Page 67

Performance Portability Evaluation of Fluid-Structure Interaction Simulations on Heterogeneous Platforms

The rapid proliferation of heterogeneous programming languages and multi-vendor hardware has underscored the critical need to evaluate the performance portability of scientific applications. In this work, we present the systematic porting and optimization of a massively parallel fluid-structure interaction code across multiple heterogeneous programming frameworks for deployment on leadership-class supercomputers from major vendors. Our analysis focuses on at-scale performance for simulations involving hundreds of millions of deformable cells, executed on a combination of CPUs and GPUs spanning thousands of nodes on exascale machines. We benchmark the performance of each implementation, highlighting the trade-offs inherent in adopting diverse programming models. Key insights regarding the portability of CUDA on multi-vendor platforms, the superior multi-core CPU performance from SYCL, and architectural considerations on performance optimization are distilled from our experience, offering guidance to other users of high performance computing based on our findings.

Martin, Aristotle [Duke University]↗

Supervised Autonomous Assembly to Create and Evolve Persistent Assets

Supervised autonomous assembly (SAA) will create a paradigm shift in the planning and design of future persistent assets (PAs), both in near zero-g environments and on planetary surfaces. SAA refers to an autonomy approach that has the benefits of autonomous assembly as well as the benefits provided by a supervisor (operator) who is available to resolve unexpected situations. SAA provides both increased design freedom as well as reduced programmatic risk. SAA enables evolution of future PAs over decades as in-space operations transition from single purpose missions to creation of PAs, such as laboratories and experimental stations which more closely resembling terrestrial laboratories that can easily adapt and evolve to new missions leveraging repeated visits to the PA. The ability to evolve enables PAs to rapidly respond to changing objectives resulting from new questions as our understanding improves. A recently initiated National Aeronautics and Space Administration (NASA) project in the Space Technology Mission Directorate (STMD) Game Changing Development (GCD) Program called the Precision Assembled Space Structure (PASS), leverages the advantages of SAA to develop technologies that enable efficient creation and evolution of hexagonal topologies; both planar (example: fuel depots) and curved (examples: telescopes and shelters). PASS will be used to provide context for the philosophy and concepts discussed as well as the decision and selections made. PASS objectives are: a) Develop confidence in SAA and on-orbit servicing, assembly and manufacturing (OSAM) technologies by executing a test campaign that uses a path-to-flight autonomous precision assembly process directly applicable to future space telescopes. b) Test autonomous technologies including automated path planning and error recovery, to emphasize a robust approach that relies on generic robots and special purpose tools. c) Validate critical component models using a digital twin that includes the assembled primary mirror support structure and assembly process. A digital twin is a high-fidelity simulation of the asset capable of predicting the on-orbit performance. The paper concludes after identifying the critical need for a modest assembly flight experiment to validate and develop confidence in the SAA paradigm, thus accelerating adoption of the benefits described. SAA is a game changing paradigm that enhances the ability of an organization to infuse new technology through rapid evolution of PAs while leveraging OSAM technologies.

Structural Modeling↗

Engineering in 5 “Deimos, an Advanced Reactor Criticality Experiment” [Slides]

Problem: Advanced nuclear reactors come in many sizes, materials, and designs; Criticality experiments are necessary to understand, quantify, and validate these reactors. Approach: The National Criticality Experiments Research Center (NCERC) operated by Los Alamos National Laboratory (LANL) conducts criticality experiments; Deimos is a graphite-moderated, beryllium-reflected, high assay low-enriched uranium (HALEU) tri-structural isotropic (TRISO) fueled experiment; Modeling and simulation is needed to design Deimos.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Simulation Based Approach to Optimize Berth Throughput Under Uncertainty at Marine Container Terminals

Berth scheduling is a critical function at marine container terminals and determining the best berth schedule depends on several factors including the type and function of the port, size of the port, location, nearby competition, and type of contractual agreement between the terminal and the carriers. In this paper we formulate the berth scheduling problem as a bi-objective mixed-integer problem with the objective to maximize customer satisfaction and reliability of the berth schedule under the assumption that vessel handling times are stochastic parameters following a discrete and known probability distribution. A combination of an exact algorithm, a Genetic Algorithms based heuristic and a simulation post-Pareto analysis is proposed as the solution approach to the resulting problem. Based on a number of experiments it is concluded that the proposed berth scheduling policy outperforms the berth scheduling policy where reliability is not considered.

Golias, Mihalis M.↗

Modeling Framework for Bulk Electric Grid Impacts from HEMP E1 and E3 Effects (Tasks 3.1 Final Report)

This report presents a framework to evaluate the impact of a high-altitude electromagnetic pulse (HEMP) event on a bulk electric power grid. This report limits itself to modeling the impact of EMP E1 and E3 components. The co-simulation of E1 and E3 is presented in detail, and the focus of the paper is on the framework rather than actual results. This approach is highly conservative as E1 and E3 are not maximized with the same event characteristics and may only slightly overlap. The actual results shown in this report are based on a synthetic grid with synthetic data and a limited exemplary EMP model. The framework presented can be leveraged and used to analyze the impact of other threat scenarios, both manmade and natural disasters. This report d escribes a Monte-Carlo based methodology to probabilistically quantify the transient response of the power grid to a HEMP event. The approach uses multiple fundamental steps to characterize the system response to HEMP events, focused on the E1 and E3 components of the event. 1) Obtain component failure data related to HEMP events testing of components and creating component failure models. Use the component failure model to create component failure conditional probability density function (PDF) that is a function of the HEMP induced terminal voltage. 2) Model HEMP scenarios and calculate the E1 coupled voltage profiles seen by all system components. Model the same HEMP scenarios and calculate the transformer reactive power consumption profiles due to E3. 3) Sample each component failure PDF to determine which grid components will fail, due to the E1 voltage spike, for each scenario. 4) Perform dynamic simulations that incorporate the predicted component failures from E1 and reactive power consumption at each transformer affected by E3. These simulations allow for secondary transients to affect the relays/protection remaining in service which can lead to cascading outages. 5) Identify the locations and amount of load lost for each scenario through grid dynamic simulation. This can be an indication of the immediate grid impacts from a HEMP event. In addition, perform more detailed analysis to determine critical nodes and system trends. 6) To help realize the longer-term impacts, a security constrained alternating current optimal power flow (ACOPF) is run to maximize critical load served. This report describes a modeling framework to assess the systemic grid impacts due to a HEMP event. This stochastic simulation framework generates a large amount of data for each Monte Carlo replication, including HEMP location and characteristics, relay and component failures, E3 GIC profiles, cascading dynamics including voltage and frequency over time, and final system state. This data can then be analyzed to identify trends, e.g., unique system behavior modes or critical components whose failure is more likely to cause serious systemic effects. The proposed analysis process is demonstrated on a representative system. In order to draw realistic conclusions of the impact of a HEMP event on the grid, a significant amount of work remains with respect to modeling the impact on various grid components.

24 POWER TRANSMISSION AND DISTRIBUTION↗

The Three Hundred Project: Modeling baryon and hot-gas fraction evolution in simulated clusters

The baryon fraction of galaxy clusters, expressed as the ratio between the mass in baryons (including both stars and cold or hot gas) and the total mass, is a powerful tool to provide information on the cosmological parameters, while the hot-gas fraction provides indications on the physics of the intracluster plasma and its interplay with the processes that drive galaxy formation. Using cosmological hydrodynamical simulations of about 300 simulated massive galaxy clusters with a median mass M 500 ≈ 7 × 10 14 M ⊙ at z = 0, we model the relations between total mass and either baryon fraction or the hot gas fractions at overdensities Δ = 2500, 500, and 200 with respect to the cosmic critical density, and their evolution from z ∼ 0 to z ∼ 1.3. We utilized the simulated galaxy clusters from the Three Hundred project, which include star formation and feedback from both supernovae and active galactic nuclei. We fit the simulation results for such scaling relations against three analytic forms (linear, quadratic, and logarithmic in a logarithmic plane) and three forms for the redshift dependence, and we considered as a variable both the inverse of the cosmic scale factor, (1 + z), and the Hubble expansion rate, E(z). We show that power-law dependencies on cluster mass poorly describe the investigated relations. A power law fails to simultaneously capture the flattening of the total baryon and gas fractions at high masses, their drop at low masses, and the transition between these two regimes. The other two functional forms provide a more accurate description of the curvature in mass scaling. The fractions measured within smaller radii exhibit a stronger evolution than those measured within larger radii. From the analysis of these simulations, we evince that as long as we include systems in the mass range herein investigated, the baryon or gas fraction can be accurately related to the total mass through either a parabola or a logarithm in the logarithmic plane. The trends are common to all modern hydro simulations, although the amplitude of the drop at low masses might differ. Being able to observationally determine the gas fraction in groups will thus provide constraints on the baryonic physics.

galaxy clusters↗

The Use of Immersion Rigs for High Temperature Hydrogen Exposure Testing Within the Nuclear Thermal Rocket Element Environmental Simulator (NTREES)

The Nuclear Thermal Rocket Element Environmental Simulator (NTREES) was designed to perform non-nuclear testing of nuclear thermal rocket (NTR) fuel elements and materials. NTREES can simulate the thermal hydraulic environment within an NTR and has been leveraged to provide critical information on component performance and material compatibility. NTREES has the ability to expose test articles to pressurized Hydrogen gas up to 1000 psig and 225 g/s. NTREES tests are operated in a deoxygenated environment of Nitrogen or Argon pressurized up to 1000 psig. NTREES simulates fission heat through induction heating powered by a 1.2 MW AC power supply, and NTREES has recorded temperatures exceeding 3700K. To perform hot Hydrogen exposure tests on materials more rapidly and earlier in the fuel development process, NTREES must be able to test small material samples on the order of 1 square inch in volume, individual fuel assembly subcomponents, and particle materials. To meet these needs, multiple testing rigs have been developed to immerse test specimens in hot Hydrogen, with each "immersion rig" varying in its capability of sample type and performance range in order to meet the broadest range of testing needs. Herein is a discussion of a selection of these “immersion rigs.”

Nuclear Thermal Propulsion↗

Molecular Dynamics Simulations of Calcite Fracture in Water

Calcite (CaCO 3 ) is one of the most common minerals in geologic and engineered systems. It is often in contact with aqueous solutions, causing chemically assisted fracture that is critical to understanding the stability of subsurface systems and manmade structures. Calcite fracture was evaluated with reactive molecular dynamics simulations, including the impacts of crack tip geometry (notch), the presence of water, and surface hydroxyl groups. Chemo-mechanical weakening was assessed by comparing the loads where fracture began to propagate. Our analyses show that in the presence of a notch, the load at which crack growth begins is lower, compared to the effect of water or surface hydroxyls. Additionally, the breaking of two adjacent Ca–O bonds is the kinetic limitation for crack initiation, since transiently broken bonds can reform, not resulting in crack growth. In aqueous environments, fresh (not hydroxylated) calcite surfaces exhibited water strengthening. Manual addition of H + and/or OH – species on the (104) calcite surface resulted in chemo-mechanical weakening of calcite by 9%. Achieving full hydroxylation of the calcite surface was thermodynamically and kinetically limited, with only 0.17–0.01 OH/nm 2 surface hydroxylation observed on the (104) surface at the end of the simulations. In conclusion, the limited reactivity of pure water with the calcite surface restricts the chemo-mechanical effects and suggests that reactions between physiosorbed water and localized structural defects may be dominating the chemo-mechanical process in the studies where water weakening has been reported.

Calcite↗

Lockout/Tagout (LOTO) Simulator

The Lockout/Tagout (LOTO) Simulator is a portable training aid, or demonstration tool, designed to physically illustrate real-time critical-safety concepts of electrical lockout/tagout. The objective is to prevent misinterpretations of what is off and what is on during maintenance and repair of complex electrical systems. The simulator is designed in the form of a hinged box that opens up and stands on its own as an easel for demonstrations. On the outer face of the unit is a simulated circuit breaker box housing the switches. The breakers control the main power to the unit, a light bulb, and an electrical control cabinet. The light bulb is wired so that either of two breakers can provide power to it. When power is sent to the electrical control cabinet, a red indicator light illuminates. Inside the cabinet is the power supply from a personal computer. The power supply produces a 12-V dc output that is sent over to a small fan next to it, also from a computer, and an amber light on the front of the cabinet illuminates. A separate switch powers the fan on and off. The power supply is behind a plastic shield to protect against exposure to live conductors. Electrical banana jacks are mounted in the plastic shield to allow a voltmeter to be connected safely when opening the cabinet and taking a meter reading to verify de-energization as part of a simulation exercise. This LOTO simulator prototype is designed and fabricated as an all-in-one unit. All accessories can be stored inside the hinged case, and there is a handle on top for ease of transport. The circuit breaker labels attach with hook and loop fasteners so that they may be moved and changed to fit the training or demonstration scenario. The warning signs and labels on the electrical control box are magnetic, allowing for easy reconfiguration to emulate different equipment setups. A specially designed magnetic cover was made to disguise the indicator lights for demonstrations when these indicators are not used. The cover is disguised as an arc flash safety label that would typically be found on such a cabinet. One indicator light has a separate switch that can take it offline. This is to allow for demonstration to trainees on why it is important not to completely rely on indicator lights, but that they should always take a meter reading at the exposed conductors to absolutely verify de-energization before exposure. A clear plastic barrier and banana jacks inside the cabinet provide a safe way to plug in a voltmeter for demonstrations without exposure to the hazards of energized equipment. A small remote control unit is wired into the fan circuit. The remote allows the demonstrator to turn the fan on and off, provided that all of the breakers and switches leading to it are configured on as well. The remote feature was added in order to demonstrate the importance of starting the lockout/tagout task with energized equipment, then powering it down, isolating it, and locking it out to ensure that the correct breakers have been locked out.

Scheer, Jennifer↗

Extensible Adaptable Simulation Systems: Supporting Multiple Fidelity Simulations in a Common Environment

Common practice in the development of simulation systems is meeting all user requirements within a single instantiation. The Joint Polar Satellite System (JPSS) presents a unique challenge to establish a simulation environment that meets the needs of a diverse user community while also spanning a multi-mission environment over decades of operation. In response, the JPSS Flight Vehicle Test Suite (FVTS) is architected with an extensible infrastructure that supports the operation of multiple observatory simulations for a single mission and multiple mission within a common system perimeter. For the JPSS-1 satellite, multiple fidelity flight observatory simulations are necessary to support the distinct user communities consisting of the Common Ground System development team, the Common Ground System Integration & Test team, and the Mission Rehearsal Team/Mission Operations Team. These key requirements present several challenges to FVTS development. First, the FVTS must ensure all critical user requirements are satisfied by at least one fidelity instance of the observatory simulation. Second, the FVTS must allow for tailoring of the system instances to function in diverse operational environments from the High-security operations environment at NOAA Satellite Operations Facility (NSOF) to the ground system factory floor. Finally, the FVTS must provide the ability to execute sustaining engineering activities on a subset of the system without impacting system availability to parallel users. The FVTS approach of allowing for multiple fidelity copies of observatory simulations represents a unique concept in simulator capability development and corresponds to the JPSS Ground System goals of establishing a capability that is flexible, extensible, and adaptable.

McLaughlin, Brian J.↗

Constrained Bayesian Optimization of Criticality Experiments [Slides]

The design of criticality experiments is typically an iterative process that employs a Monte Carlo transport code. The goal is to find a design that optimizes some variable, like the sensitivity of a response to a cross section, while simultaneously ensuring criticality. The high fidelity of the Monte Carlo code is a great asset, but it makes exploring the design space computationally expensive. Herein, we present how a constrained Bayesian optimization algorithm can be used to efficiently design a criticality experiment. It uses Gaussian processes as a surrogate model to probe the design space and to reduce the number of code executions that are needed to find the optimum. We demonstrate constrained Bayesian optimization with a Pu-239/polyethylene solution system and a TEX experiment that is designed for criticality safety validation of a nuclear waste model at the Hanford Site. For both systems, a global optimum was found within 75 Monte Carlo simulations.

42 ENGINEERING↗

Critical Unresolved Region Integral Experiment Execution

Integral Experiments are a key aspect of validating nuclear data behavior and simulation capabilities. Further, integral experiments are the earliest form of validation of equations and codes. They have been used extensively since the 1940s. Today, simulation and predictive capabilities have improved greatly from 75 years ago, but nonetheless, integral experiments are still needed. As simulation capabilities improve, their uncertainties get much smaller. The current focus of many new experiments is understanding the intermediate energy range. The intermediate energy range does not have a wide application space and it can be challenging to design experiments that are sensitive to neutron energies in this region. The Zeus experiments evaluated highly enriched uranium (HEU) in the intermediate energy region. Building on the success and knowledge gained from the Zeus experiments, the Critical Unresolved Region Integral Experiment (CURIE) experiments were designed to evaluate HEU in the narrower unresolved resonance region (URR). These experiments were executed during June and July 2020 at the National Criticality Experiments Research Center (NCERC). The National Criticality Experiments Research Center (NCERC), operated by Los Alamos National Laboratory, is the only general purpose critical experiments facility in the United States of America. NCERC regularly designs and executes critical experiments and other measurements useful to a wide variety of fields including nuclear criticality safety, commercial nuclear energy, nonproliferation, and nuclear data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Implementing and Simulating Dynamic Traffic Assignment with Intelligent Transportation Systems in Cube Avenue

As urban populations and traffic congestion levels increase, effective use of information and communication tools and intelligent transportation systems as becoming increasingly important in order to maximize the efficiency of transportation networks. The appropriate placement and employment of these tools within a network is critical to their effectiveness. This presentation proposes and demonstrates the use of a commercial transportation simulation tool to simulate dynamic traffic assignment and rerouting to model route modifications as a result of traffic information.

Foytik, Peter↗

How Topological Polymer Loops on the Nanoparticle Surface Control the Mechanical Properties of Nanocomposites

Carbon black (CB) and silica (SiO 2 ) filled elastomers are known to be the most successful polymer nanocomposites (PNCs) in industry, where “bound rubber (BR)” (i.e., polymer chains that are physically or chemically adsorbed on the nanofiller surface) plays a critical role in their reinforcement. Here, we report a molecular-scale mechanism underlying the “BR-induced reinforcement” by integrating neutron scattering experiments and molecular dynamics simulations. Simplified non-cross-linked SiO 2 -filled polybutadiene (PB) and CB-filled PB reveal the critical role of topological polymer loops in the BR for the enhanced mechanical performance. The average loop size on the SiO 2 surface modified with a silane coupling agent is much smaller than that on the CB surface and the loops on the SiO 2 surface are densely formed, preventing interdigitation with the matrix chains. On the other hand, the larger, uncrowded loops formed on the CB surface facilitate the interdigitation with the matrix polymer chains even near the filler surface. In this way, a strong connectivity is established between a matrix and a nanofiller, resulting in an adhesive filler–polymer interface. Furthermore, our findings shed light on rich and complex physics and materials design problems in PNCs, where the topological polymer structure on the nanofiller surface directly controls the macroscopic mechanical properties.

36 MATERIALS SCIENCE↗

Evolutionary Agent-Based Simulation of the Introduction of New Technologies in Air Traffic Management

Accurate simulation of the effects of integrating new technologies into a complex system is critical to the modernization of our antiquated air traffic system, where there exist many layers of interacting procedures, controls, and automation all designed to cooperate with human operators. Additions of even simple new technologies may result in unexpected emergent behavior due to complex human/ machine interactions. One approach is to create high-fidelity human models coming from the field of human factors that can simulate a rich set of behaviors. However, such models are difficult to produce, especially to show unexpected emergent behavior coming from many human operators interacting simultaneously within a complex system. Instead of engineering complex human models, we directly model the emergent behavior by evolving goal directed agents, representing human users. Using evolution we can predict how the agent representing the human user reacts given his/her goals. In this paradigm, each autonomous agent in a system pursues individual goals, and the behavior of the system emerges from the interactions, foreseen or unforeseen, between the agents/actors. We show that this method reflects the integration of new technologies in a historical case, and apply the same methodology for a possible future technology.

Simulation↗

Critical velocity experiments in space

Published data from active space experiments designed to demonstrate the Alfven critical-velocity effect are compiled in graphs and compared with the predictions of numerical simulations. It is found that the discrepancies in the ionization yields obtained in shaped-charge releases of alkali metals are related to the macroscopic limits of time and energy in such releases. It is argued that the total ionization yield is an inadequate measure of the critical-velocity effect, and a new criterion based on eta, the efficiency of energy transfer from the recently ionized neutrals to a heated electron population, is proposed: the effect would be verified if eta values of 10 percent or greater were observed.

Torbert, R. B.↗

Simulation and Modeling of Time-Resolved X-Ray Detector for the Saturn Accelerator

In this work, we present the technology-aided computer design (TCAD) device simulation and modeling of a silicon p-i-n diode for detecting time-dependent X-ray radiation. We show that the simulated forward and reverse breakdown current–voltage characteristics agree well with the measured data under nonradiation environment by only calibrating carrier lifetimes for the forward bias case and avalanche model critical fields for the reverse bias condition. Using the calibrated parameters and other nominal material properties, we simulated the radiation responses of the p-i-n diode and compared with experimental data when the diode was exposed to X-ray radiation at Sandia’s Saturn facility and the Idaho State University (ISU) TriMeV facility. For Saturn’s Gaussian dose-rate pulses, we show three findings from TCAD simulations. First, the simulated photocurrents are in excellent agreement with the measured data for two dose-rate pulses with peak values of 1.16×10 10 and 1.88×10 10 rad(Si)/s. Second, the simulation results of high dose-rate pulses predict increased delayed photocurrents with longer time tails in the diode electrical responses due to excess carrier generation. Third, simulated peak values of diode radiation responses versus peak dose rates at different bias conditions provide useful guidance to determine the dose-rate range that the p-i-n diode can reliably detect in experiment. For TriMeV’s non-Gaussian dose-rate pulse, our simulated diode response is in decent agreement with the measured data without further calibration. We also studied the effects of device geometry, recombination process, and dose-rate enhancement via TCAD simulations to understand the higher measured response in the time after the peak dose-rate radiation for the p-i-n diode exposed to TriMeV irradiation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Computational Fluid Dynamics (CFD) Simulation of Hypersonic Turbine-Based Combined-Cycle (TBCC) Inlet Mode Transition

Methods of computational fluid dynamics were applied to simulate the aerodynamics within the turbine flowpath of a turbine-based combined-cycle propulsion system during inlet mode transition at Mach 4. Inlet mode transition involved the rotation of a splitter cowl to close the turbine flowpath to allow the full operation of a parallel dual-mode ramjet/scramjet flowpath. Steady-state simulations were performed at splitter cowl positions of 0deg, -2deg, -4deg, and -5.7deg, at which the turbine flowpath was closed half way. The simulations satisfied one objective of providing a greater understanding of the flow during inlet mode transition. Comparisons of the simulation results with wind-tunnel test data addressed another objective of assessing the applicability of the simulation methods for simulating inlet mode transition. The simulations showed that inlet mode transition could occur in a stable manner and that accurate modeling of the interactions among the shock waves, boundary layers, and porous bleed regions was critical for evaluating the inlet static and total pressures, bleed flow rates, and bleed plenum pressures. The simulations compared well with some of the wind-tunnel data, but uncertainties in both the windtunnel data and simulations prevented a formal evaluation of the accuracy of the simulation methods.

Slater, John W.↗