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At least 1,531 records · Page 85

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NASA NTRS2017

Water Hammer Simulations of MMH Propellant - New Capability Demonstration of the Generalized Fluid Flow Simulation Program

Fluid Transient analysis is important for the design of spacecraft propulsion system to ensure structural stability of the system in the event of sudden closing or opening of the valve. Generalized Fluid System Simulation Program (GFSSP), a general purpose flow network code developed at NASA/MSFC is capable of simulating pressure surge due to sudden opening or closing of valve when thermodynamic properties of real fluid are available for the entire range of simulation. Specifically GFSSP needs an accurate representation of pressure-density relationship in order to predict pressure surge during a fluid transient. Unfortunately, the available thermodynamic property programs such as REFPROP, GASP or GASPAK does not provide the thermodynamic properties of Monomethylhydrazine (MMH). This paper will illustrate the process used for building a customized table of properties of state variables from available properties and speed of sound that is required by GFSSP for simulation. Good agreement was found between the simulations and measured data. This method can be adopted for modeling flow networks and systems with other fluids whose properties are not known in detail in order to obtain general technical insight. Rigorous code validation of this approach will be done and reported at a future date.

Burkhardt, Z.↗

NASA NTRS2007

Simulating Operations at a Spaceport

SPACESIM is a computer program for detailed simulation of operations at a spaceport. SPACESIM is being developed to greatly improve existing spaceports and to aid in designing, building, and operating future spaceports, given that there is a worldwide trend in spaceport operations from very expensive, research- oriented launches to more frequent commercial launches. From an operational perspective, future spaceports are expected to resemble current airports and seaports, for which it is necessary to resolve issues of safety, security, efficient movement of machinery and people, cost effectiveness, timeliness, and maximizing effectiveness in utilization of resources. Simulations can be performed, for example, to (1) simultaneously analyze launches of reusable and expendable rockets and identify bottlenecks arising from competition for limited resources or (2) perform what-if scenario analyses to identify optimal scenarios prior to making large capital investments. SPACESIM includes an object-oriented discrete-event-simulation engine. (Discrete- event simulation has been used to assess processes at modern seaports.) The simulation engine is built upon the Java programming language for maximum portability. Extensible Markup Language (XML) is used for storage of data to enable industry-standard interchange of data with other software. A graphical user interface facilitates creation of scenarios and analysis of data.

Nevins, Michael R.↗

DOE OSTI2022

Constructing high-fidelity halo merger trees in abacussummit

ABSTRACT Tracking the formation and evolution of dark matter haloes is a critical aspect of any analysis of cosmological N-body simulations. In particular, the mass assembly of a halo and its progenitors, encapsulated in the form of its merger tree, serves as a fundamental input for constructing semi-analytic models of galaxy formation and, more generally, for building mock catalogues that emulate galaxy surveys. We present an algorithm for constructing halo merger trees from abacussummit, the largest suite of cosmological N-body simulations performed to date consisting of nearly 60 trillion particles, and which has been designed to meet the Cosmological Simulation Requirements of the Dark Energy Spectroscopic Instrument (DESI) survey. Our method tracks the cores of haloes to determine associations between objects across multiple time slices, yielding lists of halo progenitors and descendants for the several tens of billions of haloes identified across the entire suite. We present an application of these merger trees as a means to enhance the fidelity of abacussummit halo catalogues by flagging and ‘merging’ haloes deemed to exhibit non-monotonic past merger histories. We show that this cleaning technique identifies portions of the halo population that have been deblended due to choices made by the halo finder, but which could have feasibly been part of larger aggregate systems. We demonstrate that by cleaning halo catalogues in this post-processing step, we remove potentially unphysical features in the default halo catalogues, leaving behind a more robust halo population that can be used to create highly accurate mock galaxy realizations from abacussummit.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Zero Export Feeder Through Transactive Markets

This project is aimed at creating a transactive energy market to address the challenges faced by utility providers when increasing distributed energy resource (DER) adoption in their service area. One major challenge is mitigating export back to the grid during times of excess production. The transactive energy market operates at the distribution level and balances the supply and demand on the feeder, thus maintaining a zero-energy export at the primary feeder head. The market participants in this case are the residential customers on the feeder, who bid into the market. Building controls are then optimized based on the settled price. Market performance was demonstrated in this study by simulating different levels of DER penetration on a selected Pepco feeder. The feeder successfully achieved a zero export while providing cost-effective electricity to the participants, demonstrating that this market design can enable high DER penetration on existing feeders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Adaptive Control for Residential HVAC Systems to Support Grid Services

In this paper, we propose an adaptive control strategy for residential buildings' heating ventilation and air conditioning (HVAC) systems to support grid services. The proposed control strategy captures the time-varying characteristics of the building and weather environments. It assigns to each building a local controller to maintain the indoor temperature within a desired comfort level, while the load aggregator allocates the assigned reference power provided by the distribution system operator to support a specific grid service, such as demand peak reduction, balancing supply and demand, and consuming the solar photovoltaic (PV) power locally. Simulation results are presented to verify the performance of the proposed control strategy in terms of maintaining the indoor temperatures of several buildings within the desired comfort bands while tracking the reference power profile. Also, a comparison with a recently developed model-free control strategy is presented.

Wu, Tumin↗

NASA NTRS2018

Serious Gaming for Building a Basis of Certification via Trust and Trustworthiness of Autonomous Systems

Autonomous systems governed by a variety of adaptive and nondeterministic algorithms are being planned for inclusion into safety-critical environments, such as unmanned aircraft and space systems in both civilian and military applications. However, until autonomous systems are proven and perceived to be capable and resilient in the face of unanticipated conditions, humans will be reluctant or unable to delegate authority, remaining in control aided by machine-based information and decision support. Proving capability, or trustworthiness, is a necessary component of certification. Perceived capability is a component of trust. Trustworthiness is an attribute of a cyber-physical system that requires context-driven metrics to prove and certify. Trust is an attribute of the agents participating in the system and is gained over time and multiple interactions through trustworthy behavior and transparency. Historically, artificial intelligence and machine learning systems provide answers without explanation - without a rationale or insight into the machine “thinking”. In order to function as trusted teammates, machines must be able to explain their decisions and actions. This transparency is a product of both content and communication. NASA’s Autonomy Teaming & TRAjectories for Complex Trusted Operational Reliability (ATTRACTOR) project seeks to build a basis for certification of autonomous systems via establishing metrics for trustworthiness and trust in multi-agent team interactions, using AI (Artificial Intelligence) explainability and persistent modeling and simulation, in the context of mission planning and execution, with analyzable trajectories. Inspired by Massively Multiplayer Online Role Playing Games (MMORPG) and Serious Gaming, the proposed ATTRACTOR modeling and simulation environment is similar to online gaming environments in which player (aka agent) participants interact with each other, affect their environment, and expect the simulation to persist and change regardless of any individual agent’s active participation. This persistent simulation environment will accommodate individual agents, groups of self-organizing agents, and large-scale infrastructure behavior. The effects of the emerging adaptation and coevolution can be observed and measured to building a basis of measurable trustworthiness and trust, toward certification of safety-critical autonomous systems.

Allen, B. Danette↗

NASA NTRS2022

The Cooling Loop A Anomaly of 2013: A Case Study in Human-Systems Resilience

Throughout the history of human spaceflight, NASA has employed an operational paradigm of 24/7 dependence on experts in Mission Control Center (MCC). In addition to nominal flight control and mission operations, these 85+ experts per shift manage anomaly detection, diagnosis, and response, and support the crew in real-time in performing maintenance and repair, procedure execution, and other complex mission operations. Future long-duration exploration missions (LDEMs) beyond low-Earth orbit (LEO) will not operate successfully using this same Human-Systems Integration Architecture (HSIA) where crew rely on ground controllers, have ready access to resupply, and have a fallback plan of evacuation. As distance from Earth increases and the communication delay grows, crews will need to respond independently and adequately to time-critical vehicle malfunctions. It will not always be sufficient or even possible to ‘safe the system’ and then wait upon ground intervention. A new and radically different HSIA is needed to accommodate the paradigm shift of deep-space travel. Historical International Space Station (ISS) data show that for a 30-day mission, the likelihood of a high-consequence vehicle anomaly of uncertain origin that requires rapid response is greater than 10%. The likelihood of such an event is 50% by the fourth month of the mission, and it grows exponentially with time. Our team has conducted in-depth investigations into these events and their corresponding anomaly resolution activities. Using MCC and Mission Evaluation Room (MER) anomaly resolution artifacts (including meeting summaries, caution and warning data, and ISS daily summaries), we created timelines detailing ground actions and in-orbit events for two significant anomalies. We then mapped these timelines onto Mars transit conditions, introducing a ground-crew communications time delay and shifting immediate response, time-critical task execution, and vehicle commanding to the crew. In detailing successful anomaly resolution in transit to Mars, the timelines highlight where effective resolution requires drastically evolved onboard capabilities. Though this research has yielded a rich data set based on ground response in past missions, there is still insufficient knowledge to assess the potential impact of inflight anomalies on a small autonomous crew on future LDEMs beyond LEO. To begin building an evidence base that will inform future HSIA standards and requirements, we are developing an approach to systematically capture crew anomaly response and procedure execution during early Artemis missions. Being the first human spaceflight beyond LEO since Apollo, early Artemis missions provide a rare and unique opportunity to serve as a testbed for Mars missions. Our work aims to capitalize on planned data collection to derive crew operational responses to anomalous events in real-time. Our team is also researching the level of simulation fidelity required for empirically validating proposed HSIA standards and evaluating HSIA implementations for LDEMs beyond LEO. This work will produce a trade space study of HSIA simulation objectives and fidelity requirements. Ultimately, these research efforts will assist in developing the standards and technologies needed to build a next-generation HSIA for LDEMs beyond LEO.

human-systems integration architecture↗

DOE OSTI2026

Physiological Controls on Carbon Fluxes and Biomass Production in Miscanthus: Insights From a Process‐Based Agroecosystem Model

Biomass crops serve as essential feedstocks for renewable energy and bioproducts and play a critical role in achieving lower emissions in the transportation sector. However, dedicated perennial biomass crops such as Miscanthus × giganteus (Miscanthus) remain underrepresented in process-based agroecosystem models, limiting robust evaluation of their economic and environmental performance. In this study, we developed a data-constrained representation of the sterile triploid Miscanthus (IL clone) within the process-based model ecosys, integrating global sensitivity analysis, ensemble simulation, and parameter calibration. Planting, harvesting, and fertilization practices consistent with field management were incorporated, and phenology was constrained using PhenoCam-derived Green Chromatic Coordinate (GCC) data. Using the Morris global sensitivity analysis method, we identified 11 key physiological parameters governing plant carbon, water, and nutrient relations, particularly processes associated with CO 2 assimilation. We then conducted ensemble simulations by perturbing these parameters and calibrated the model against eddy covariance fluxes and field-measured biomass. Building on the calibrated operating state, parameter-response analyses show that different photosynthetic processes influence productivity in different ways. Protein allocation determines whether productivity increases toward a higher level, whereas electron transport capacity controls additional gains once protein allocation approaches saturation. These findings demonstrate that parameter importance depends on physiological context and on which photosynthetic processes remain limiting. Calibration and validation against observations show that ecosys can reliably reproduce carbon and water fluxes, as well as both above- and belowground biomass, with post-calibration GPP R 2 improving from 0.67 to 0.95 during the calibration period and remaining high during validation (R 2 = 0.95). These results provide a mechanistic foundation for regional simulations and sustainable bioenergy assessments.

ecosys↗

DOE OSTI2025

Spectrally accelerated edge and scrape-off layer gyrokinetic turbulence simulations

This paper presents the first gyrokinetic (GK) simulations of edge and scrape-off layer (SOL) turbulence accelerated by a velocity-space spectral approach in the full-f GK code GENE-X. Building upon the original grid velocity-space discretization, we derive and implement a new spectral formulation and verify the numerical implementation using the method of manufactured solution. We conduct a series of spectral turbulence simulations focusing on the TCV-X21 reference case (Oliveira et al., 2022 [26]) and compare these results with previously validated grid simulations (Ulbl et al., 2023 [25]). The spectral approach reproduces the outboard midplane (OMP) profiles (density, temperature, and radial electric field), dominated by trapped electron mode (TEM) turbulence, with excellent agreement and significantly lower velocity-space resolution. As a consequence, the spectral approach reduces the computational cost (CPUh) by at least an order of magnitude, of approximately 50 for the TCV-X21 case. This enables high-fidelity GK simulations to be performed within a few days on modern CPU-based supercomputers for medium-sized devices and establishes GENE-X as a powerful tool for studying edge and SOL turbulence, moving towards reactor-relevant devices like ITER.

Gyrokinetic↗

DOE OSTI2025

Accelerating computational fluid dynamics simulation of post-combustion carbon capture modeling with MeshGraphNets

Packed columns are commonly used in post-combustion processes to capture CO 2 emissions by providing enhanced contact area between a CO 2 -laden gas and CO 2 -absorbing solvent. To study and optimize solvent-based post-combustion carbon capture systems (CCSs), computational fluid dynamics (CFD) can be used to model the liquid–gas countercurrent flow hydrodynamics in these columns and derive key determinants of CO 2 -capture efficiency. However, the large design space of these systems hinders the application of CFD for design optimization due to its high computational cost. In contrast, data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. We build our surrogates using MeshGraphNets (MGN), a graph neural network framework that efficiently learns and produces mesh-based simulations. We apply MGN to a random packed column modeled with over 160K graph nodes and a design space consisting of three key input parameters: solvent surface tension, inlet velocity, and contact angle. Our models can adapt to a wide range of these parameters and accurately predict the complex interactions within the system at rates over 1700 times faster than CFD, affirming its practicality in downstream design optimization tasks. This underscores the robustness and versatility of MGN in modeling complex fluid dynamics for large-scale CCS analyses.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Transfer-Learnt Energy Models for Predicting Electricity Consumption in Buildings with Limited and Sparse Field Data

Modeling energy consumption is critical for energy-efficient utilization of the electric appliances in a building, smart grid programs (like demand-response), and many other smart home applications. State-of-the-art energy modeling techniques either rely on theoretical models, or extensive instrumentation of the building envelope to gather ``big" data to train a deep neural network. While theoretical models are often limited by their estimation accuracy, it is not always feasible to gather a significant amount of field data. In this paper, we explore transfer learning-based strategies to train much more accurate model for energy estimation when using a sparse field data. We transferred knowledge, in the form of data and parameters, from the simulation framework to the field data. We evaluated the efficacy of our approach on field data collected from six commercial buildings and our results indicate that transfer learning-based models trained over one month data can perform comparative (and in some cases better) than the state-of-the-art machine learning and deep learning solutions.

Jain, Milan↗

DOE OSTI2023

Verification of a Modeling Toolkit for the Design of Building Electrical Distribution Systems

DC electrical distribution systems offer many potential advantages over their AC counterparts. They can facilitate easier integration with distributed energy resources, improve system energy efficiency by eliminating AC/DC converters at end-use devices (e.g., laptop chargers), and reduce installation material, time, and cost. However, DC electrical distribution systems present additional design considerations, largely resulting from potentially greater magnitude and variation in cable losses. Modeling and simulation are rarely used to design such systems. However, the greater dependency of DC system energy efficiency on design choices such as distribution voltages, architecture, and integration of PV and BESS suggests that modeling and simulation may be required. Such system performance analysis is currently not a standard practice, in part due to limited availability and validation of capable software tools. This paper characterizes the accuracy of a Modelica-based Building Electrical Efficiency Analysis Model (BEEAM) toolkit, as a precursor for validating its use to perform system performance analysis and inform design decisions. The study builds upon previous verification research by characterizing complete systems comprised of commercially available equipment, and providing a more detailed analysis of simulation results. Five lighting systems with varying electrical distribution architectures were designed using market-available equipment, installed in a laboratory environment, modeled using BEEAM, and simulated using three Modelica integrated development environments (IDEs). Simulated and measured results were compared to characterize toolkit accuracy. Initial results revealed that simulated performance was mostly within ±5% of measured system-level and device-level performance. While simulation results were not found to be dependent on the IDE, some Modelica compiler interoperability issues were identified. Although the BEEAM toolkit showed promise for the targeted use case, further work is needed to determine whether the demonstrated 5% accuracy is sufficient for making real-world design decisions, and for BEEAM to advance from an interesting research tool to one that can impact real-world building projects.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Southwest Regional Partnership on Carbon Sequestration: Phase III (Final Scientific/Technical Report)

The Southwest Regional Partnership on Carbon Sequestration (SWP) is one of 7 regional partnerships formed in 2003 under the U.S. Department of Energy’s (DOE) Regional Carbon Sequestration Partnerships (RCSPs) initiative. The overall purpose of the initiative was to help determine and implement the technology, infrastructure, and regulations most appropriate to promote carbon storage in different regions of the country. Covering Arizona, Colorado, New Mexico, Oklahoma, Utah, and parts of Texas, Wyoming, and Kansas, the SWP evaluated regional carbon storage and utilization potential and focused on technologies and sites that could complement the region’s strong position in energy production. The project progressed through three phases: • Phase I (2003–2005): Characterized regional geologic formations and CO 2 sources, assessed sequestration potential, and identified pilot test sites. • Phase II (2005–2013): Conducted small-scale field tests to validate sequestration methods, including geologic and terrestrial projects. • Phase III (2008–2022): Demonstrated large-scale CO 2 injection at a commercial oil field to test monitoring, verification, and long-term storage strategies. This report covers Phase III. The final project site, the Farnsworth Unit (FWU) in Texas, provided real-world testing of reservoir characterization, monitoring, and risk evaluation tools and processes that could be used in any commercial scale carbon capture, utilization, and storage (CCUS) project. Extensive data collection and analysis helped refine best practices for reservoir characterization, injection monitoring, and storage verification. The SWP contributed to national databases, DOE best practice manuals, and regional geological assessments to support future sequestration efforts. Key lessons learned include the importance of robust data management, strategic site selection, regulatory navigation, and effective industry collaboration. The project’s findings will inform ongoing and future carbon storage initiatives. Task 1 (Regional Characterization) • The SWP continued to participate in national outreach efforts and NATCARB. • The SWP evaluated multiple potential sites before selecting the FWU as the primary field test location. Task 2 (Public Outreach and Education) • The SWP contributed to national databases, DOE best practice manuals, and regional geological assessments to support future sequestration efforts. Task 3 (Permitting and Regulatory Compliance) • The SWP ensured compliance with federal and state regulations, including National Environmental Policy Act (NEPA) requirements. • The SWP obtained all necessary permits for drilling, injection, and monitoring activities. Task 4 (Site Characterization and Planning) • The SWP developed work plans for four key activities: characterization, simulation, monitoring and verification, and risk evaluation. • The SWP collected and synthesized legacy data from multiple sources to build initial static geological models and dynamic reservoir models demonstrating project feasibility. • The SWP conducted an initial risk evaluation and developed mitigation plans. Task 5 (Field Operations and Data Collection) • The SWP drilled, logged, and cored three characterization wells to gather critical subsurface data. • The SWP conducted multiple geophysical surveys, including 3D seismic, crosswell seismic, and vertical seismic profiling, to improve reservoir characterization. Task 6 (Monitoring and Verification) • The SWP performed extensive geological characterization using data from characterization wells and seismic surveys. • The SWP established a surface monitoring network to track CO 2 flux in soil gas, groundwater chemistry, and near-surface atmospheric CO 2 levels. • The SWP built and refined reservoir models to study the effects of relative permeability on simulation behavior and improve calibration with experimental data. Task 7 (Risk Assessment and Model Refinement) • The SWP conducted multiple studies to evaluate reservoir integrity, predict CO 2 plume behavior and improve predictive modeling capabilities. • The SWP refined geological models and used them to enhance the accuracy of simulation models. • The SWP continued quantitative risk assessment of top-ranked risks and strengthened the link between qualitative and quantitative risk methodologies.

02 PETROLEUM↗

NASA NTRS1996

X-Ray Imaging Study

The space environment in which the Space Station Freedom and other space platforms will orbit is truly a hostile environment. For example, the currently estimated integral fluence for electrons above 1 Mev at 2000 nautical miles is above 2 x 1O(exp 10) electrons/sq cm/day and the proton integral fluence is above 1 x 10(exp 9) protons/sq cm/day. At the 200 - 400 nautical miles, which is more representative of the altitude which will provide the environment for the Space Station, each of these fluences will be proportionally less; however, the data indicates that the radiation environment will obviously have an effect on structural materials exposed to the environment for long durations. The effects of this combined environment is the issue which needs to be understood for the long term exposure of structures in space. At the same time, there will be substantial potential for collisions between the space platforms and space debris. The current NASA catalogue contains over 4500 objects floating in space which are not considered payloads. This debris can have significant effects on collision with orbiting spacecraft. In order to better understand the effect of these hostile phenomena on spacecraft, several types of studies are being performed to simulate at some level the effect of the environment. In particular the study of debris clouds produced by hypervelocity impact on the various surfaces anticipated on the Space Station is very important at this point in time. The need to assess the threat of such debris clouds on space structures is an on-going activity. The Space Debris Impact facility in Building 4612 provides a test facility to monitor the types of damage produced with hypervelocity impact. These facilities are used to simulate space environmental effects from energetic particles. Flash radiography or x-ray imaging has traditionally provided such information and as such has been an important tool for recording damage in situ with the event. The proper operation of the system can provide much useful information with respect to parametric analysis of the hypervelocity experiment. The following report outlines the procedures developed to optimize the operation of the x-ray imaging system and its operational characteristics.

OBrien, Susan K.↗

DOE OSTI2021

Metrics for Interzonal Dispersion Assessment of Airborne SARS-CoV-2 Within Office Buildings

High ventilation rate is increasingly considered as a mitigation strategy in the rapid spread of COVID-19 in existing buildings in addition to other options like UVGI and added filtration. However, this and other similar measures may also impact energy use and the efficiency of the buildings in which they are installed. Without concrete metrics, the impact of all these potential changes to the system cannot be properly assessed relative to the other impacts the measures might have, including additional energy use, added operation and maintenance costs, and reduced system life. Multizone airflow and contaminant transport simulations involving parameters such as infiltration rate, system configuration, and level of occupancy can provide critical information on relative risk distribution within a building. In this study, prototype airflow models are used to assess the degree to which ventilation-related measures can mitigate the spread of a virus like SARS-CoV-2 in a similar way that prototype energy models are used to study energy efficiency measures. A new detailed medium-sized office building prototype model is developed using the CONTAM software to represent contaminant transport in buildings like those modeled by the U.S. Department of Energy’s detailed medium office prototype model. The goal of this study is to generate a set of suitable metrics that will give a whole-building picture of airborne SARS-CoV-2 virus distributions across the different zones of the building under different parameters and scenarios.

DeGraw, Jason↗

NASA NTRSDate not supplied

Improving Kinetic Consistency Across Elastic Model Transitions With Quadratic Inequality Constrained Weighted Least Squares (WLSQI)

Flexible body modeling presents a large challenge in the development of simulations to aid in design of flight control systems for launch and landing vehicles. Typically, the flexible body model is not a single continuous model but are rather discrete sets of Linear Time Invariant (LTI) Finite Element Models (FEM) incremented by propellant levels. This introduces the problem of smoothly transitioning modal and physical states of the vehicle when switching from one FEM to the next. This paper introduces a new approach to optimally transition flexible body states with weighted least squares, building off previous methods.

Convex Optimization↗

DOE OSTI2021

Drift reduced Landau fluid model for magnetized plasma turbulence simulations in BOUT++ framework

Recently the drift-reduced Landau fluid six-field turbulence model within the BOUT++ framework has been upgraded. In particular, this new model employs a new normalization, adds a volumetric flux-driven source option, the Landau fluid closure for parallel heat flux and a Laplacian inversion solver which is able to capture $n$ = 0 axisymmetric mode evolution in realistic tokamak configurations. As we report here, these improvements substantially extended model's capability to study a wider range of tokamak edge phenomena, and are essential to build a fully self-consistent edge turbulence model capable of both transient (e.g., ELM, disruption) and transport time-scale simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Computer Science Research Needs for Parallel Discrete Event Simulation (PDES)

Historically, scientific computing efforts have demonstrated the clear need for, and effective use of, supercomputing with traditional time-stepped simulations. Nevertheless, there are several areas in the mission spaces of the U.S. Department of Energy and other agencies waiting to tap advanced computing research using a different, discrete event style of modeling, simulation, and analysis. These span a wide spectrum of applications including energy grid resilience, urban planning and policy, transportation science, building technologies, emergency response and planning, environmental impact analysis, computational epidemiology, Internet communications, cyber security, and cyber-physical systems, to name only a few. Even within traditional scientific applications, the role of discrete event modes of execution is increasing in the form of new event-based mathematical solvers such as quantized state integration methods and discrete-continuous hybrid system solvers. Co-design of advanced supercomputing hardware systems is another area that exploits discrete event simulation at its core for effective analyses. Complex systems, entity behaviors and interconnections play a significant role in all these applications, which are mapped to large-scale models with discrete event formulations. To make advancements in all the aforementioned scientific areas, many technical aspects need to be more thoroughly studied and deeply understood in parallel discrete event simulation (PDES). The unique dynamics inherent in a discrete event modeling approach, by their very nature, intersect and influence the entire stack of the computing system, including (a) the unique nature of the instruction sets exercised in PDES workloads without a predominance of high-precision floating point operations, (b) virtual time-constrained multi-threaded execution of many logical processes per processor, (c) extremely variable and difficult to predict network traffic characteristics, (d) interfaces and inter-dependencies with machine learning and artificial intelligence codes at higher software layers, and (e) highly challenging load balancing needs, especially in effectively accounting for accelerated/extremely heterogeneous computing in current and future high-performance computing systems. Efficient and accurate parallel execution of PDES workloads is also dominated by challenges in dealing with their asynchronous concurrency fundamentally present at the model level. Conservative synchronization, optimistic/speculative synchronization, and their hybrid schemes open new questions in fundamental computer science with respect to reversibility of computation and prediction (lookahead) of behaviors inherent within model codes. On the implementation front, there are relatively few scalable, general-purpose parallel discrete event simulators in the world, and even fewer have been studied on emerging hardware platforms. To enable scientific advances using PDES, the research needs in computer science must also be pursued and met in the intersection of the algorithmic and hardware-aware aspects of scalable PDES engines. This report is aimed at capturing a computer science-oriented view of this important area of research in PDES, presenting a sample of important applications with their inherent discrete event technology elements. Needs are outlined in core areas of parallel discrete event research as well as cross-cutting directions in computer science research that positively impact scientific advancements across several important application areas. A selection of priority research opportunities in advanced computing for PDES is identified to serve as reference for key research topics and their order of importance for scientific advancements.

97 MATHEMATICS AND COMPUTING↗