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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

SERGHEI (SERGHEI-SWE) v1.0: a performance-portable high-performance parallel-computing shallow-water solver for hydrology and environmental hydraulics

The Simulation EnviRonment for Geomorphology, Hydrodynamics, and Ecohydrology in Integrated form (SERGHEI) is a multi-dimensional, multi-domain, and multi-physics model framework for environmental and landscape simulation, designed with an outlook towards Earth system modelling. At the core of SERGHEI's innovation is its performance-portable high-performance parallel-computing (HPC) implementation, built from scratch on the Kokkos portability layer, allowing SERGHEI to be deployed, in a performance-portable fashion, in graphics processing unit (GPU)-based heterogeneous systems. In this work, we explore combinations of MPI and Kokkos using OpenMP and CUDA backends. In this contribution, we introduce the SERGHEI model framework and present with detail its first operational module for solving shallow-water equations (SERGHEI-SWE) and its HPC implementation. This module is designed to be applicable to hydrological and environmental problems including flooding and runoff generation, with an outlook towards Earth system modelling. Its applicability is demonstrated by testing several well-known benchmarks and large-scale problems, for which SERGHEI-SWE achieves excellent results for the different types of shallow-water problems. Finally, SERGHEI-SWE scalability and performance portability is demonstrated and evaluated on several TOP500 HPC systems, with very good scaling in the range of over 20 000 CPUs and up to 256 state-of-the art GPUs.

58 GEOSCIENCES↗

Thermal-hydraulic and Fuel Performance Scoping Studies of a Flowing Water Capsule in TREAT

The restart of the Transient Reactor Test (TREAT) facility has provided a much needed capability for integral transient testing of nuclear fuel. This testing is necessary to qualify new fuel concepts such as those developed under the Accident Tolerant Fuel (ATF) program, increasing the burnup limit of light water reactor (LWR) fuels, or a variety of other programs under the Advanced Fuels Campaign (AFC). The ATF campaign has been the main driver behind the development and implementation of a variety of capsules for TREAT experiments. The Separate-Effect Test Holder (SETH) was a dry capsule that enabled testing of ATF concepts under reactivity-initiated accident (RIA) heating conditions. Following SETH, the Static Environment Rodlet Transient Test Apparatus (SERTTA) was developed to enable RIA testing in a static water environment. In efforts to support the need for future Loss-of-Coolant Accident (LOCA) tests, the Transient Water Irradiation System for TREAT (TWIST) capsule has been developed that allows for water to drain from around the fuel rod and lower the pressure to simulate LOCA conditions. All these capsules that have been developed for LWR fuel testing all lack the capability for forced convective cooling which in some applications may limit their ability to test under prototypic conditions. A design and modeling effort has been started to modify the TWIST capsule by adding a flow tube and impeller that can create flowing coolant conditions for the fuel rod. RELAP5-3D and BISON models are being used to study the differences between RIA, LOCA, Anticipated Operational Occurrences (AOO), LWR power cycling, and other transient scenarios under flowing conditions capable in the flowing capsule and the current stagnant water capsules (SERTTA and TWIST). The scoping study will provide guidance on the needed capabilities for the flowing capsule and the limitations of the currently developed capsule for LWR testing in TREAT.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

7 Innovations in high-rate composite manufacturing: integrating additive manufacturing with compression molding process

Advanced composites play a pivotal role in modern engineering, offering exceptional strength-to-weight ratios and tailored properties, essential for various industries. High-rate composite manufacturing techniques have rapid production capabilities, which are essential for meeting the demands of industries requiring cost-saving, efficiency, and quick turnaround times. This chapter explores the Additive Manufacturing- Compression Molding (AM-CM) system developed by Oak Ridge National Laboratory (ORNL) for advanced composites manufacturing. The AM-CM system integrates additive manufacturing with compression molding, facilitating the production of polymer composite parts with superior mechanical properties and meticulously controlled microstructures. This innovative system not only ensures precise material deposition but also operates as a fast composite manufacturing process, enhancing productivity and performance, which are needed attributes across industrial applications. Through comprehensive mechanical testing and microstructural analysis, AM-CM promotes remarkable fiber alignment and reduced porosity in composite parts compared to alternative thermoplastic high-rate composite manufacturing methods. Furthermore, AM-CM enables overmolding reinforcement using continuous carbon fiber and supports selective reinforcement through customizable toolpaths. It also facilitates the production of hybrid materials to achieve tailored mechanical properties. Future advancements in AM-CM technology aim to enhance process efficiency, broaden material versatility, and improve part performance. This involves exploring novel materials, advancing process monitoring, implementing automation technologies, and integrating artificial intelligence (AI) and machine learning (ML) for predictive modeling and real-time optimization in composite manufacturing. These developments will establish the AM-CM system as a transformative technology in composite manufacturing, driving innovation across industries.

Hassen, Ahmed [ORNL] (ORCID:0000000328521222)↗

ECAR-6415 Rev 0 CFD Analysis of the Primary Coolant Apparatus Test Core with Wire Spacers for Heterogeneous Power Distributions

Primary Coolant Apparatus Test (PCAT) is a thermal-hydraulic test loop for Microreactor Applications Research Validation and Evaluation (MARVEL) reactor. The heater elements were manufactured within a straightness tolerance for the designated gap thickness of 1.0 mm, but several elements have been distorted out of tolerance during the welding process. The distortion of heater rods can lead to flow maldistribution and excessive hotspot where the gap between two heater rods is too tight. In order to secure the heater-to-heater gap in an acceptable range, wire spacers are adopted for the PCAT. The wire spacers affect the thermal-hydraulic performance of the PCAT because they enhance the flow mixing among the flow subchannels in the core region. The objectives of this ECAR is to evaluate the effects of the wire spacers on the thermal-hydraulic performance of the PCAT core region by assuming several heterogeneous power distributions.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

HydroEcoLSTM: A Python package with graphical user interface for hydro-ecological modeling with long short-term memory neural network

Machine learning (ML) is emerging as a promising tool for modeling hydro-ecological processes due to the increasing availability of large environmental data. However, the use of ML requires sufficient programming knowledge due to a lack of a graphical user interface (GUI). In this study, we introduced a GUI package, named HydroEcoLSTM, with the long short-term memory network (LSTM) as the core model, that allows non-ML experts to utilize their domain knowledge to construct complex ML models. We demonstrated the functionalities of HydroEcoLSTM with two practical examples, including (1) predictions of streamflow in both gauged and ungauged catchments and (2) predictions of multiple outputs (i.e., streamflow and isotope transport from two catchments). The simulation results obtained in both case experiments are satisfactory. In the first example, the average Nash–Sutcliffe Efficiency (NSE) for streamflow simulation during the testing period is 0.79 while the application of the trained model in two assumed ungauged catchments also achieves the average NSE of 0.68. In the second example, the average NSE for streamflow and instream isotope simulation during the testing period is 0.71. Ultimately, applications of HydroEcoLSTM with real-world examples demonstrate its potential use for practical applications and research without requiring extensive coding skills.

54 ENVIRONMENTAL SCIENCES↗

Assessment of Amine-Based CO2BOLs for Direct Air Capture

Direct air capture (DAC) technologies extract CO 2 from the atmosphere for CO 2 storage, or utilization. Capturing CO 2 from the air is the most expensive application of carbon capture because CO 2 in the atmosphere is very dilute. There are limited number of CO 2 capture technologies for DAC application. This project aims at developing an energy efficient technology for DAC, leveraging two PNNL’s chemistries (solid and liquid CO 2 capture). Three CO 2 capture sorbents consisting of amine based CO 2 BOLs immobilized in mesoporous silica were designed, synthesized, and tested. These sorbents had ~ 19-23 wt.% amine loadings which is lower than typical amine-based silica sorbents. The surface area and pore volumes of these solid supported CO 2 BOLs are lower compared to those of the pristine silica support. The CO 2 capture performance of these materials was significantly lower than the typical silica supported amines due to low amine loading and higher molecular weight with low amine density. These results show that immobilize CO 2 BOLs in silica are not viable materials for removing CO 2 from ambient air. This project also designed, synthesized at tested liquid solvents for DAC application. Solvent properties that is vapor pressure, CO 2 uptake capacity, kinetics, and viscosity for three novel solvents were evaluated. The CO 2 uptake capacity for one of the most promising amine-based solvent BEPBEGDA was the highest at 13.2 wt% corresponding to 97 mol%. The vapor pressure of the BEPBEGDA solvents were very low at 80 °C compared to other solvents making them suitable for DAC application. The effect of humidity on the CO 2 capture performance of these solvents was evaluated which shows that presence of moisture doesn’t have a negative effect on the CO 2 uptake performance but makes it slightly better. The performances of these solvents were slightly below that of the 0.1M NaOH solution tested under similar conditions. Despite of the slightly lower CO 2 uptake, it is expected that these liquid solvents will have lower regeneration temperature and minimum evaporative losses due their low vapor pressure. Future work will focus on optimization of the liquid solvents for DAC application to improve both CO 2 capture efficiency and capacity without viscosity and vapor pressure increase. Testing of these solvents under DAC conditions using a gas liquid contactor that mimic industrial applications is needed. Solvent cost projection, techno-economic analysis and life cycle analysis are required to evaluate economic viability of this technology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improvements to CTF Code Verification and Unit Testing (FY2020)

In 2010, the U.S. Department of Energy created its first Energy Innovation Hub, which focuses on improving Light Water Reactors (LWRs) through Modeling and Simulation. This hub, named the Consortium for the Advanced Simulation of LWRs (CASL), attempts to characterize and understand LWR behavior under normal operating conditions and use any gained insights to improve their efficiency. In collaboration with North Carolina State University (NCSU), CASL has worked extensively on the thermal-hydraulic subchannel code Coolant Boiling in Rod Arrays—Three Field (COBRA-TF). The NCSU/CASL version of COBRA-TF has been rebranded as CTF. This document focuses on code verification test problems that ensure CTF converges to the correct answer for the intended application. The suite of code verification tests are mapped to the underlying conservation equations of CTF, and significant gaps are addressed. Convergence behavior and numerical errors are quantified for each of the tests. Tests that converge at the correct rate to the corresponding analytic solution are incorporated into the CTF automated regression suite. A new verification utility is created for this purpose, which enables code verification by generalizing the process. For problems that do not behave correctly, the results are reported but the problem is not included in the regression suite. In addition to verification studies, this document also quantifies the existing tests of constitutive models. A few existing gaps are addressed by adding new unit tests.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

FY20 Improvements to CTF Code Verification and Unit Testing

In 2010, the U.S. Department of Energy created its first Energy Innovation Hub, which focuses on improving Light Water Reactors (LWRs) through Modeling and Simulation. This hub, named the Consortium for the Advanced Simulation of LWRs (CASL), attempts to characterize and understand LWR behavior under normal operating conditions and use any gained insights to improve their efficiency. In collaboration with North Carolina State University (NCSU), CASL has worked extensively on the thermal-hydraulic subchannel code Coolant Boiling in Rod Arrays–Three Field (COBRA-TF). The NCSU/CASL version of COBRA-TF has been rebranded as CTF. This document focuses on code verification test problems that ensure CTF converges to the correct answer for the intended application. The suite of code verification tests are mapped to the underlying conservation equations of CTF, and significant gaps are addressed. Convergence behavior and numerical errors are quantified for each of the tests. Tests that converge at the correct rate to the corresponding analytic solution are incorporated into the CTF automated regression suite. A new verification utility is created for this purpose, which enables code verification by generalizing the process. For problems that do not behave correctly, the results are reported but the problem is not included in the regression suite. In addition to verification studies, this document also quantifies the existing tests of constitutive models. A few existing gaps are addressed by adding new unit tests.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development and Characterization of a Self-Tightening Tourniquet System

Uncontrolled hemorrhage remains a leading cause of death in both emergency and military medicine. Tourniquets are essential to stopping hemorrhage in these scenarios, but they suffer from subjective, inconsistent application. Here, we demonstrate how tourniquet application can be automated using sensors and computer algorithms. The auto-tourniquet self-tightens until blood pressure oscillations are no longer registered by the pressure sensor connected to the pneumatic pressure cuff. The auto-tourniquet’s performance in stopping the bleed was comparable to manual tourniquet application, but the time required to fully occlude the bleed was longer. Application of the tourniquet was significantly smoother, and less variable, for the automatic tourniquet compared to manual tourniquet application. This proof-of-concept study highlights how automated tourniquets can be integrated with sensors to provide a much more consistent application and use compared to manual application, even in controlled, low stress testing conditions. Future work will investigate different sensors and tourniquets to improve the application time and repeatability.

Vega, Saul J.↗

Production and Performance of High Sulfur Concentration Waste Glasses (FY21)

In FY21 Savannah River National Laboratory (SRNL) was tasked to investigate the practical aspects of low activity waste (LAW) glass production with high sulfur loading for the Office of River Protection (ORP). Relationships between sulfur solubility, retention, and melter resonance need to be evaluated to refine waste loading limits and the super saturated melting (triple melt, grind, and wash) methodology. The impact of high sulfur concentration on durability and phase stability (crystallization and liquid-liquid immiscibility) during slow cooling also needs to be further evaluated. To accomplish this, SRNL proposed scaled melter testing using simulants with matched physicochemical properties to melter feed, as opposed to laboratory reagents. This type of testing is expected to validate applicability to design parameters and functional criteria expected during unit operations. This work was expected to commence in FY21, with the first melter tests being performed near the end of the FY. However, reduced access to Savannah River Site and personnel availability during the COVID-19 pandemic significantly reduced the amount of time and resources available to perform the task. This report documents the experimental plan and progress towards this task. The following is a summarized list of scheduled testing that will be performed on feed, condensate, cold cap and glass: 1) Melter runs; 2) Product consistency test (PCT); 3) Inductively coupled plasma optical emission spectroscopy (ICP-OES); and 4) Optical (OM) and scanning electron microscopy (SEM).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Studsvik R2 materials test reactor Ad Hoc depletion strategy for the derivation of the fuel isotopic composition of the MPCMIV benchmark

The Ad Hoc Depletion Strategy elaborated by the NINE company, developed in support of the organization of the MPCMIV (Multi-physics Pellet Cladding Mechanical Interaction Validation) benchmark input and output specifications, is presented. This work aims at illustrating the strategy itself and then showing the results obtained with its application over the Studsvik R2 Testing Reactor, which is analyzed in the benchmark. The objective of the application of the strategy is to compute the fuel elements isotopic compositions at the beginning of some core loadings of interest for the benchmark. To this objective, it is necessary to implement first the simulation model of the three single assembly types and perform the infinite lattice depletions, then, to build the full core model and to perform the simulation of the core cycle. All the models and simulations were carried out with the use of the Monte Carlo particle transport code Serpent 2. Finally, the simulations results are assessed against Studsvik isotopic compositions of the fuel elements discharged from the R2 Reactor at the end of the core loading. Several assumptions were necessary during all the steps of the strategy, to overcome the lack of information regarding the core management. For this reason, the solution found at the end of the current analysis may not be completely optimized and further improvements regarding the model assumptions will be tested in a future work. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

BISON As-run AGR-3/4 Irradiation Test Predictions

BISON, a nuclear fuel performance application built using the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element library, was used to model the Advanced Gas Reactor (AGR)-3/4 irradiation test using as-run physics and thermal hydraulics data. The AGR-3/4 test consists of the combined third and fourth planned irradiations of the AGR Fuel Development and Qualification Program. The AGR-3/4 test train consists of twelve separate and independently controlled and monitored capsules. Each capsule contains four compacts filled with both uranium oxycarbide (UCO) unaltered “driver” fuel particles and UCO designed-to-fail (DTF) fuel particles. The DTF fraction was specified to be 1×10-2. This report documents the calculations performed to predict the failure probability of tristructural isotropic (TRISO) coated driver fuel particles during the AGR-3/4 experiment on a single compact. This report will demonstrate the capabilities of BISON to model the complex AGR-3/4 irradiation test and identify further development needed to capture the fuel particle failure probability and source term on every compact for further comparison from post-irradiation examination (PIE) data. The calculations include the modeling of the AGR-3/4 irradiation that occurred from December 2011 to April 2014 in the Advanced Test Reactor (ATR) over a total of 10 ATR cycles including seven normal cycles, one low power cycle, one unplanned outage cycle, and one Power Axial Locator Mechanism (PALM) cycle.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Test methodology for validation of multi-frequency models of renewable energy generators using small-signal perturbations

Providing trustworthy and accurate multi-frequency (or harmonic) models for renewable energy generators (REG) is an ongoing challenge for harmonic studies. There have been effective attempts to propose and design a test device to validate the harmonic models, mainly based on shunt current perturbations. However, using additional devices for perturbations is costly for converter-based test sites. This paper provides the test specifications to extend the application of the grid emulators for voltage perturbations and appropriate harmonic model validation. Besides, the effects of the sequence couplings, initial emissions, and power set-points on the test results have been overlooked in the literature. Considering these effects, this paper proposes a generic test methodology to obtain more accurate models in the sequence domain. The experimental verification of the proposed methodology is demonstrated using a 7 MVA grid emulator for testing of a 2 MVA photo-voltaic converter and a 2 MVA Type 3 wind turbine. This way, the test challenges, specifications, and recommendations are presented using the MW-scale experiments on different REGs. Furthermore, the effects of sequence couplings and initial emissions on the calculation results are investigated and compared. The proposed methodology is applicable for harmonic model validation as well as empirical modelling.

24 POWER TRANSMISSION AND DISTRIBUTION↗

University Partnership Program for Scintillator Materials Research

The Scintillation Detection Development (SDD) group of the Particle Physics Division (PPD) at Fermi National Accelerator Laboratory (Fermilab) conducts research and development work in the field of materials that exhibit scintillation properties for use in particle detection and identification in nuclear and high energy physics experiments and applications. SDD has established a University Partnership Program for Scintillator Materials Research (Program), to facilitate collaboration with faculty and students from local universities. The collaboration between the SDD group and Dominican University will address the development of new plastic scintillating materials in two ways: 3.1. Synthesis of new organic fluorescent compounds to test with plastics commonly used in scintillation applications 3.2. Preparation and testing of commercially available plastics known for their resilience to radiation and rarely used in scintillation applications

43 PARTICLE ACCELERATORS↗

Some Observations About the Drop-weight Explosive Sensitivity Test

The apparent simplicity of the drop-weight apparatus for explosive sensitivity testing hides the reality that it is actually a complex integrated test of both ignition and growth of deflagration. Although the drop-weight test is undeniably a useful screening test for explosive properties, a misunderstanding of the technique’s limitations has blinded many researchers to its limited wider applicability. This monograph discusses how the test actually works, the significant engineering difficulties with standardization between machines, which types of explosives are suited to the test and which are not, and finally offers a few suggestions for alternatives when a more quantified understanding of a material’s response is required for other applications.

36 MATERIALS SCIENCE↗

A Novel Process for Converting Coal to High-Value Polyurethane Products

Battelle has demonstrated a patented process for making high-value, polyurethane (PU) foam from coal, based on preparing liquefied coal via direct liquefaction, converting it to polyols as an intermediate via ozonation, and then making PU foams from these polyols. This process represents a breakthrough in innovative utilization of U.S. coals, and is applicable to bituminous as well as sub-bituminous coals. The resulting PU foam products are projected to have an extremely high value (i.e., over $\$5,000$ /ton), with nearly 100% of carbon utilization from coalderived liquid feedstock, and 31.5% to 43.5% of the carbon in the PU foam polyol product being bio-based. The targeted products represent an extremely large (i.e., over $80 billion/year), existing PU foam market, which could expand into making coatings and adhesives. The process can further help reduce petroleum imports, while improving the economics of PU foam production. This work was completed with funding from the National Energy Technology Laboratory (NETL), with cost share from the State of Ohio’s Ohio Development Services Agency (ODSA) and others, and has advanced the process to 10 kg/day continuous scale and thus to Technology Readiness Level (TRL) 5. A total of 48 coal-based polyols were prepared and evaluated. The initial 28 polyols focused on range finding for ideal conditions. The later 20 polyols were produced as part of process optimizations. These optimizations were targeted around a continuous ozonolysis process to evaluate extended time reactions and to create the necessary intermediate for production of 1-gallon samples of polyol. The most unique attribute of Battelle’s polyol is in the utilization of coal’s aromaticity to gain final foam rigidity. Typically, polyols depend on the isocyanate fraction and cross-linking to gain rigidity. By utilizing coal, we were able to maintain rigidity while reducing the overall hydroxyl value of the polyol. This is important as lower hydroxyl value leads to greater percent weight of the coal-based polyol because less isocyanate is required for foaming. This leads to greater foam cost savings. This report provides the details, process, and process cost models of the conversion of coal to polyols and further to PU foams. Battelle’s process begins with coal liquids. These liquids can be obtained by two processes: coal coking or pyrolysis to produce coal tar, and Battelle’s biobased coal-to-liquids (CTL) process to produce heavy syncrude after liquifying >85% coal. After liquification, Battelle utilizes ozonolysis to create functionalization on the polyaromatic coal structure. The functionalization is then converted to the final polyester polyol through transesterification, or to hydroxyamide polyol through amidification. Equivalent or better standard properties have been obtained for 2 lb/ft 3 density rigid, water and freon-alternative blown foams, including compressive strength, density, R-value, and dimensional stability. Target applications for these foams are insulation, packaging, and energy-absorbing foams. Some exploratory testing also showed promise for adhesives applications. A detailed economic analysis showed that Battelle’s polyol process is economical, at a 140 metric tons per day (MTD) polyol production scale. An attractive return on investment (ROI) at competitive pricing validates the process is ready for a pilot-plant demonstration. A scale-up plan is provided.

01 COAL, LIGNITE, AND PEAT↗

A Computational Framework to design 3D stiffness gradient acoustic metamaterials for impedance matching

Acoustic waves play a crucial role in various applications, including medical imaging, non-destructive testing, and sonar systems. One of the significant challenges in these applications is impedance matching, which is essential for minimizing reflections and maximizing the transfer of acoustic energy between different media. Acoustic metamaterials offer a promising solution to this challenge. In addition to impedance control, gradient stiffness can enhance structural efficiency and enable spatial control of wave propagation, making it a valuable feature in acoustic metamaterial design. In this pa- per, we present our developed computational method to design 3D stiffness gradient acoustic metamaterials for impedance matching. The key steps in our approach include generating initial designs using a periodic covariance function to provide unit cells that are both periodic on the boundaries and randomly formed inside the unit cell. Furthermore, we integrated manufacturing constraints into the design process, ensuring that the structures are interconnected for fabrication. We propose two computational optimization algorithms: GenUnit, based on a non-dominated sorting genetic algorithm (NSGA-II), and MLMatch, which leverages differentiable machine learning. The two approaches are not separate contributions but complementary com- ponents of a unified framework. GenUnit requires no training data and directly interfaces with physics-based simulations, making it highly accurate but slower for large-scale exploration. In contrast, MLMatch is data-hungry during training but, once trained, enables near-instantaneous inference and broad design-space coverage. Together, they form a hybrid strategy: ML- Match rapidly explores the global design space, and GenUnit provides local refinement with high-fidelity accuracy. This balance between training cost, inference time, and precision is the motivation for including both methods in the same study. We applied this dual-algorithm framework to generate two metallic-based metamaterial designs that match the acoustic impedance of water while exhibiting a controlled gradient in stiffness (from stiff to soft). The stiffness gradient is particularly advantageous in applications where one side of the structure must interface with soft or sensitive surfaces, such as human tissue or delicate components. Here, this work paves the way for improved materials in various acoustic applications, particularly in ultrasound devices, by providing better impedance.

Metamaterial↗