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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18

BETO 2021 Peer Review - 1.3.2.001 - Algae Biomass Composition

Addressing critical improvements in biomass productivity and associated biochemical composition is a priority for the economic and sustainable commercial development of biofuels and bioproducts from algae. Capitalizing on pathways that integrate engineering approaches with fundamental biochemistry of photosynthetic organisms will lead to a better understanding of the complex nexus of algae growth rates, productivity and composition. This project focuses on identifying the critical factors for economic development of fuel and bioproduct technologies. Algal compositional characteristics form the foundation of robust economic and business models. This project supports that foundation by developing and validating accurate compositional methods and disseminating them to the greater community. Simultaneously, we build a deep understanding of the dynamic biochemical composition and carbon allocation for biomass value and conversion yields. A co-product portfolio developed under this project demonstrated a 30% increase in intrinsic value. Additionally, an integrated pipeline of molecular diversity mapping for product discovery with quantitative demonstration across species was deployed over the BETO algae program. The advances made here are highly relevant to BETO's multi-year program targets of reducing costs and integrating dynamic biomass composition with conversion processes to provide options for bioproducts, all leveraging the molecular diversity of algae.

algal compositional characteristics↗

Enhancing EnergyPlus capabilities to model dynamic building envelopes using python plugin

Nearly half of the energy consumption in the United States is related to buildings, resulting in an urgent need to develop innovative technologies to improve building energy efficiency. Dynamic building envelopes, comprising switchable insulation and thermal energy storage materials, have been proposed recently as a promising solution to reduce buildings' heating and cooling loads by thermally coupling the indoor environment with the ambient environment when beneficial while decoupling them when outdoor conditions are not favorable. Although various related technologies are still underway, the whole-building energy modeling tools, like EnergyPlus, do not have the capability to simulate the transient and dynamic nature of dynamic envelope materials and components to accurately predict their impact on building energy use. The objective of this study is to formulate a method in EnergyPlus simulation engine to model multilayer envelopes, comprising dynamic building materials with variable thermophysical properties, and discuss the changes made to the program using a Python plugin. Furthermore, the thermal performance of the dynamic envelopes using the proposed method is compared and verified with the results from a well-established commercial code, COMSOL Multiphysics. A parametric assessment is also conducted to evaluate the energy efficiency benefits of dynamic envelopes in a single-family residential building, demonstrating total annual energy savings up to 11.6 %, when a dynamic envelope operates alone, and up to 18.2 % when it is combined with a thin layer of phase change material as a thermal storage medium. Finally, a United States wide energy efficiency assessment is presented to showcase the geographical spread of the energy savings. The method designed and implemented in this study provides the researchers with the ability to implement their dynamic insulation methods in EnergyPlus and evaluate the whole building energy impact.

25 ENERGY STORAGE↗

Pathways of clean energy heating electrification programs for reducing carbon emissions in Northwest China

We report clean energy heating electrification programs provide a promising way to reduce carbon emissions from fossil fuel combustion and consumption. This work studies the cost competitiveness of clean energy heating technologies under three dynamic mechanisms: investment costs, subsidy policies, and operating costs with real data. It provides key insights into the cost competitiveness of the different heating technologies deployed in different areas, as well as their sensitivity to the three dynamic mechanisms. The results show that currently, the distinct heating programs are more cost-efficient in the urban area with existing heating networks. The average payback period of all district clean energy heating programs in the urban area is 14.9 years, while that of the individual clean heating programs is 24.7 years. The individual heating programs are becoming increasingly cost-competitive with the incentive mechanisms, especially the electricity pricing mechanisms. Moreover, individual heating technologies present remarkable advantages on flexibility and sustainability in the long run. According to the technology diffusion model proposed in this paper, the individual clean heating programs will occupy more than 50% of the market share in 2050 under the comprehensive effect of CAPEX, government subsidies, and OPEX. The real-world results and analysis render references to shape the pathway of clean energy heating electrification in Northwest China and other regions with a similar situation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Monte Carlo Simulations of the Water Draining Experiment of Giacint Critical Assembly

The MCNP6 computer program has been successfully extended to simulate reactor dynamics problems with moving parts of the geometries. Different from the dynamic method developed in other Monte Carlo codes, a movement scheme has been developed to account for the geometrical parts motion during the particle random walk. The MCNP6 computer program has been used to simulate two transient experiments of the Giacint critical assembly. The MCNP6 calculated total neutron flux was compared with that from the Serpent simulation. An excellent agreement was obtained between the results of the two Monte Caro computer programs. The MCNP6 calculated total neutron flux was also compared with the two measured transients. The MCNP6 results predicted a faster transient than the experimental data. The MCNP6 transient simulation was improved with an adjusted geometrical model which shifts the fuel rods slightly to match the measured reactivity worth due to the drained water. (c) 2021 Elsevier Ltd. All rights reserved.

MCNP, Moving Geometries, Monte Carlo Reactor Trans↗

Design, characterization and shape recovery behavior of 3D/4D printed shape memory polymers (SMPs)

Shape memory polymers (SMPs) represent a paradigm shift in material science, uniquely capable of undergoing reversible shape transformations triggered by external stimuli, positioning them as pivotal in developing next-generation biomedical devices, aerospace components, and adaptive structures. Extensive research has been done on SMPs with a major focus on high-temperature programming methods, which can limit energy efficiency and applicability with temperature-sensitive materials. Additionally, while various SMP blends have demonstrated great potential, limited work has been done on the suitability for 3D printing these materials, particularly under high-strain and ambient temperature programming conditions. In this study, a three-component optimized SMP composition was evaluated by 3D printing via the Material Extrusion (MEX) technique and investigating its ambient temperature-programming behavior at high strains. The SMP formulation studied was a tailored blend of thermoplastic polyurethane (TPU), polycaprolactone (PCL), and an octadecane diol-based copolymer (OBC) that exhibits robust shape memory behavior, high strain tolerance, and efficient force generation. Rigorous thermal, mechanical, and shape recovery analyses, along with optimized printing parameters and consistent shape recovery rates of up to 90%, were achieved under dynamic mechanical analysis (DMA), even under ambient programming conditions. This work demonstrates the SMP composition’s potential for adaptive, self-deployable systems with 4D printing characteristics ideal for bio-inspired structures and artificial muscle fibers.

Sudan, Kavish [University of Louisville, KY]↗

DARMA-MPI Interoperability WBS 2.3.1.04 Milestone 15 (ECP Milestone Report)

DARMA (Distributed Asynchronous Resilient Models for Applications) is a runtime library developed as part of the the Sandia ATDM (Advanced Technology Development and Mitigation) program. DARMA supports applications within 2.2.5.03 ADNN03-ASC ATDM SNL Application, which includes a number of applications featuring dynamic physics which requires load balancing and asynchronous communication for high performance. We have implemented a modern C++ programming model that can enable dynamic, asynchronous communication on top of existing data structures from a serial or MPI code. DARMA development has occurred in parallel with a verification milestone for ATDM in FY18. For FY19, DARMA will impact ATDM by enabling the performance benefits of a dynamic runtime through only incremental changes to existing verified MPI codes. The results presented here demonstrate the DARMA development process for an MPI mini-app, showing a 3-4x improvement in performance for a challenging problem relative to the parent MPI code and coming within 25 percent of the theoretically optimal performance achievable from a perfect, fine-grained load balancer for most cases.

97 MATHEMATICS AND COMPUTING↗

An Empirical Assessment of the MODIS Land Cover Dynamics and TIMESAT Land Surface Phenology Algorithms

Observations of vegetation phenology at regional-to-global scales provide important information regarding seasonal variation in the fluxes of energy, carbon, and water between the biosphere and the atmosphere. Numerous algorithms have been developed to estimate phenological transition dates using time series of remotely sensed spectral vegetation indices. A key challenge, however, is that different algorithms provide inconsistent results. This study provides a comprehensive comparison of start of season (SOS) and end of season (EOS) phenological transition dates estimated from 500 m MODIS data based on two widely used sources of such data: the TIMESAT program and the MODIS Global Land Cover Dynamics (MLCD) product. Specifically, we evaluate the impact of land cover class, criteria used to identify SOS and EOS, and fitting algorithm (local versus global) on the transition dates estimated from time series of MODIS enhanced vegetation index (EVI). Satellite-derived transition dates from each source are compared against each other and against SOS and EOS dates estimated from PhenoCams distributed across the Northeastern United States and Canada. Our results show that TIMESAT and MLCD SOS transition dates are generally highly correlated (r = 0.51-0.97), except in Central Canada where correlation coefficients are as low as 0.25. Relative to SOS, EOS comparison shows lower agreement and higher magnitude of deviations. SOS and EOS dates are impacted by noise arising from snow and cloud contamination, and there is low agreement among results from TIMESAT, the MLCD product, and PhenoCams in vegetation types with low seasonal EVI amplitude or with irregular EVI time series. In deciduous forests, SOS dates from the MLCD product and TIMESAT agree closely with SOS dates from PhenoCams, with correlations as high as 0.76. Overall, our results suggest that TIMESAT is well-suited for local-to-regional scale studies because of its ability to tune algorithm parameters, which makes it more flexible than the MLCD product. At large spatial scales, where local tuning is not feasible, the MLCD product provides a readily available data set based on a globally consistent approach that provides SOS and EOS dates that are comparable to results from TIMESAT.

47 OTHER INSTRUMENTATION↗

Quantum simulation of charge and exciton transfer in multi-mode models using engineered reservoirs

Quantum simulation enables studies of open-system dynamics in non-perturbative regimes by programming electronic, vibrational, and environmental interactions on comparable energy scales. Trapped ions offer this capability, combining spins, phonons, and tunable dissipation on one platform. We demonstrate an open-system quantum simulation of charge and exciton transfer in a multi-mode linear vibronic coupling model. Using tailored spin-phonon interactions with reservoir engineering, we emulate a system with two dissipative vibrational modes coupled to donor and acceptor sites and track its non-equilibrium dynamics. We continuously tune the system from the charge transfer regime to the vibrationally assisted exciton transfer regime and find that degenerate modes enhance transfer rates at large energy gaps, while non-degenerate modes activate pathways that reduce the energy-gap dependence. Thus, the presence of one additional vibration introduces interfering pathways and reshapes non-perturbative excitation transfer. Our results establish a scalable, hardware-efficient route to simulate vibronic processes with engineered environments.

74 ATOMIC AND MOLECULAR PHYSICS↗

OpenTurbine [SWR-23-07]

OpenTurbine is an open-source code designed for the simulation of wind turbine structural dynamics. It is a flexible multi-body dynamics solver wherein the wind turbine is modeled as a collection of beam finite elements, rigid bodies, and constraints. OpenTurbine is equipped with an application programming interface primarily designed for coupling to computational fluid dynamics codes, but it is also suited for coupling to aerodynamics solvers based on blade element momentum theory.

Sprague, MichaelA.↗

Collaborative study on Earthquake Ground Motion Simulation Using Rupture Dynamics

The objective of this multi-year project between the LLNL and Kyoto University, is the investigation of effects of rupture dynamics on near-fault ground motion amplitude for strike slip earthquakes through rupture dynamics simulations. The work presented in this report was in part performed by Jikai Sun, a graduate student from Kyoto university, during his visit to the LLNL as a summer student. He was trained by Dr. Pitarka in using computer programs for generating rupture models and performing rupture dynamics simulations.

58 GEOSCIENCES↗

Plant-specific Model and Data Analysis using Dynamic Security Modeling and Simulation

The requirements for U.S. nuclear power plants to maintain a large on-site physical security force contribute to their high operational costs. The cost of maintaining the current physical security posture is approximately 10% of the overall operation and maintenance budget for commercial nuclear power plants. The goal of the Light Water Reactor Sustainability (LWRS) program’s physical security pathway is to develop tools, methods, and technologies and provide the technical basis for an optimized physical security posture. The conservatisms built into current security postures may be analyzed and minimized in order to reduce security costs while still ensuring adequate security and operational safety. The research performed at Idaho National Laboratory within LWRS program’s physical security pathway has successfully developed a dynamic force-on-force modeling framework using various computer simulation tools and integrating them with the dynamic assessment Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool. This document provides an update on the progress in applying a dynamic computational framework that links results from a commercially available force-on-force simulation tool, a commercially available thermal-hydraulic tool, and EMRALD to an operating commercial nuclear power plant. This report is only a summary of the progress and does not contain specific modeling results as those contain sensitive security information. This process of including plant procedures and multiple analysis results is being called Modeling and Analysis for Safety Security using Dynamic EMRALD Framework or MASS-DEF. Previous reports described how a user could integrate their plant-specific force-on-force models with the dynamic simulation tool EMRALD, model operator actions, integrate with probabilistic risk assessment tools, such as CAFTA (Computer Aided Fault Tree Analysis System) or SAPHIRE (Systems Analysis Programs for Hands-on Integrated Reliability Evaluations), and with thermal-hydraulic tools, such as RELAP-5. Previous reports applied various combinations of available simulations codes with EMRALD using generic plant models to demonstrate how to perform the analysis. This report documents the results of applying the dynamic computational framework to an actual nuclear facility using their security scenarios and timelines. This report does not contain any plant's sensitive information and/or Safeguards Information. The purpose of this study was to verify that results achieved using generic models are similar to actual plant results and to refine our guidance on the use of the framework. This assessment enables further analysis, such as what-if scenarios and staff-reduction evaluation, thereby optimizing physical security at plants.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Nuclear Materials Packaging, Transportation, and Systems Analysis Group Software Quality Assurance Plan: ANSYS Mechanical Finite Element Analysis Software Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic, and electromagnetic simulation capabilities. ANSYS has two main programs, which use the same solvers: (1) Mechanical APDL (ANSYS Design Parametric Language), a Fortran-based coding platform, and (2) ANSYS Workbench, which uses a graphical user interface to aid in finite element analysis implementation. This plan covers both APDL and Workbench. The ANSYS computer program is a large-scale, multipurpose finite element program that can be used to solve several classes of engineering analyses. The analysis capabilities of ANSYS include the ability to solve static and dynamic structural analyses, steady-state and transient heat transfer problems, mode-frequency and buckling eigenvalue problems, static or time-varying magnetic analyses, and various types of field and coupled-field applications. The program contains many special features that allow nonlinearities or secondary effects such as plasticity, large strain, hyperelasticity, creep, swelling, large deflections, contact, stress stiffening, temperature dependency, material anisotropy, and radiation to be included in the solution. As ANSYS has been developed, other special capabilities such as substructuring, submodeling, random vibration, kinetostatics, kinetodynamics, free convection fluid analysis, acoustics, magnetics, piezoelectrics, coupled-field analysis, and design optimization have been added to the program. These capabilities contribute further to making ANSYS a multipurpose analysis tool for varied engineering disciplines. The ANSYS program has been in commercial use for over 50 years and has been used extensively in the aerospace, automotive, construction, electronic, energy services, manufacturing, nuclear, plastics, oil, and steel industries. Additionally, many consulting firms and hundreds of universities have used ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. Ansys design analysis software is the first created within a quality system with ISO 9001 certification, the internationally accepted quality standard. Product development, testing, maintenance and support processes also meet the United States Nuclear Regulatory Commission's quality requirements, as they have for nearly four decades. The Quality Assurance Service Agreement is suitable for the customers working in the nuclear industry who need to meet specific federal regulations including 10CRF50 Appendix B and provisions of 10CFR21. ANSYS has retained its original International Organization for Standardization (ISO) 9001 accreditation certificate since1995-05-04, It’s current certificate is valid until 2027-05-29.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Sierra Structural Dynamics Code Verification Plan

Verification and validation (V&V) of scientific computing programs are important at San- dia National Laboratories (SNL) due to the expanding role of computational simulation in managing the United States nuclear stockpile. This document presents the verification plan for the Sierra Structural Dynamics application. This verification plan includes code devel- opment practices, structure of test suites, and additional quality assurance practices used by the Sierra/SD team.

42 ENGINEERING↗

An Evaluation of The Dynamic Physical Security Risk Assessment Methodology for Fleet-Wide Applications

The requirements for U.S. nuclear power plants to maintain a large onsite physical security force contribute to their high operational costs. The cost of maintaining the current physical security posture is approximately 10% of the overall operation and maintenance budget for commercial nuclear power plants. The goal of the Light Water Reactor Sustainability (LWRS) program’s physical security pathway is to develop tools, methods, and technologies and provide the technical basis for an optimized physical security posture. The conservatisms built into current security postures may be analyzed and minimized to reduce security costs while still ensuring adequate security and operational safety. The research performed at Idaho National Laboratory within LWRS program’s physical security pathway has successfully developed a dynamic force-on-force modeling framework using various computer simulation tools and integrating them with the dynamic assessment Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool. This integrated process for physical security analysis is named Modeling and Analysis for Safety Security using Dynamic EMRALD Framework (MASS-DEF). This document provides an update on the progress in applying the MASS-DEF process to an operating commercial nuclear power plant as well as additional industry feedback regarding use of the tool for other physical security risk-informed topics. This report is only a summary of the progress and does not contain specific modeling results as those contain sensitive security information. Previous reports described how a user could integrate their plant-specific force-on-force models with the dynamic simulation tool EMRALD, model operator actions, and integrate with probabilistic risk assessment tools, such as CAFTA (Computer Aided Fault Tree Analysis System) or SAPHIRE (Systems Analysis Programs for Hands-on Integrated Reliability Evaluations), and with thermal-hydraulic tools, such as RELAP-5 or MAAP. Previous reports applied various combinations of available simulations codes with EMRALD using generic plant models to demonstrate how to perform the analysis. This report is an update the progress of applying the dynamic computational framework to an actual nuclear facility using their security scenarios and timelines. This report also provides an update to the procedural guidance for the MASS-DEF process and an overview of the generic models available for use by utilities. This report does not contain any plant’s sensitive information and/or safeguards information. This study’s purpose was to verify that the results achieved using generic models are similar to actual plant results and refine our guidance on the use of the framework. This assessment enables further analysis, such as what-if scenarios and staff-reduction evaluation, thereby optimizing physical security at plants.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

CUDAMicroBench

CUDAMicroBench is a collection of fourteen microbenchmarks that demonstrate performance challenges in CUDA programming and techniques to optimize the CUDA programs to address these challenges. It also includes examples and techniques for using advanced CUDA features such as data shuffling between threads, dynamic parallelism, etc that can help users optimize the CUDA program for performance.

Liao, Chunhua↗

Opportunities and Challenges to Capturing Distributed Battery Value via Retail Utility Rates and Programs

Distributed battery deployment is increasing with advanced metering, control, and communication technologies, leaving electric utilities with an under-utilized, flexible grid resource in aggregate. Rates can reflect locational and temporal prices while utility incentive-based programs allow DERs to provide direct grid services. However, utilities must balance accurately reflecting dynamic grid conditions versus simple and feasible design that encourages customer participation. Currently, most rates and incentive-based programs are simple, but as penetration of DER and advanced controls increase, dynamic designs could become prevalent. Utilities could encourage providing multiple services to optimize distributed battery dispatch and value streams, however, challenges persist when stacking services across distribution and bulk systems. A DER committed to multiple discrete services concurrently necessitates coordination between operators and a clear hierarchy of commitments. One way to address this is to separate commitments by time or capacity. For services that follow cyclic, predictable patterns, or those that are peak driven with predictability, an operator could ensure sufficient state of charge for participation, leaving time where a distributed battery could otherwise provide different services by segmenting participation temporally. To provide continuous or unexpected services, a battery operator may use state of charge management to reserve some percentage of the battery and segment participation by capacity. Macroeconomic trends, load patterns, generation profiles, and grid configurations drive variation in value and the subsequent implications for utility offerings and how a customer might participate. As distributed battery adoption increases, both regulators and utilities will need to ensure no adverse grid impacts and encourage provision of societal value beyond the customer domain.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Towards An Updated Simulation of the Booster Neutrino Beam

Precise, accurate neutrino flux predictions for neutrino beam experiments are crucial for physics results. Flux predictions for the Booster Neutrino Beam at Fermilab were first published in 2009 by the MiniBooNE collaboration. It is no longer possible to run the simulation used to create these predictions due to outdated software versions. In this exciting period for the Short-Baseline Neutrino Program at Fermilab, with both the far detector (ICARUS) and the near detector (SBND) operating, an updated flux model for the BNB is necessary. For the purpose of using a dynamic, up-to-date beam model, the SBN program has created a new simulation named G4BNB. This framework contains new features, such as a full neutrino ancestry to handle hadron production systematics with more precision, and the inclusion of neutral mesons from the proton-beryllium scatter to allow the study of exotic BSM scenarios.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗