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All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

CH-TRU Waste Content Codes (CH-TRUCON) (Rev. 38)

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Myna: Connecting powder bed fusion build data to simulation tools for digital twin applications

Additive manufacturing (AM), as a digital process, can generate a detailed digital thread linking a part’s design and manufacturing to its operational performance. As AM systems advance, an increasing amount of process data is stored in manufacturing databases. In principle, this data can be utilized by simulation-based digital twin approaches, such as real-time process control and asynchronous post-processing guidance. However, few tools currently exist for systematically integrating digital thread data with computational tools. Here, in this study, we propose a software package, called Myna, for connecting data from powder bed fusion processes to simulation tools. The utility of such a platform is demonstrated using build data from the Oak Ridge National Laboratory Manufacturing Demonstration Facility “Peregrine v2023-10” public dataset to automatically configure and run 54 semi-analytical 3DThesis melt pool simulations, 78 numerical Additive FOAM melt pool simulations, and 3 ExaCA microstructure simulations. The simulated, spatially registered microstructures are then compared directly with electron backscatter diffraction characterization of the corresponding as-built part locations. The resulting simulated microstructure showed variation as a function of process parameters, particularly stripe width; however, the experimental data had little variation between the microstructure texture and grain size resulting from different processing conditions. Analysis of the discrepancies suggest that it is possible a two-phase ferritic-austenitic solidification model is needed to accurately predict grain size and texture for certain stainless steel 316L feedstock compositions under powder bed fusion conditions, providing direction for future research. As illustrated here, due to the number and complexity of the simulations involved in AM process-structure–property predictions, automated methods to connect process data and simulations will remain necessary tools for testing hypotheses and implementing digital twin applications.

Knapp, Gerald L. [Oak Ridge National Laboratory (O↗
DOE OSTI2026

A framework and tool for designing cost-effective, resilient, and circular net-zero supply chains under uncertainty with an application to multilayer plastic films

While 55% of Fortune 500 companies have committed to achieving net-zero emissions and/or zero-waste operations by 2035, only 2% are currently on track, revealing a critical gap between ambition and action. Designing supply chains that reduce both emissions and waste is a complex non-intuitive, multi-objective challenge, compounded by the high costs of new technologies and the need for resilient, profitable solutions. This paper aims to address this challenge by presenting a generic framework and multi-objective optimization formulation for designing cost-effective, circular, and resilient supply chains under uncertainty, implemented through a user-friendly decision-support tool with intuitive data visualization capabilities, enabling communication of results to both technical and non-technical stakeholders. We demonstrate the application of this framework in the context of multilayer plastic films (barrier films), which are widely used in food packaging and composite materials. The model quantifies trade-offs across three objectives: minimizing global warming potential, maximizing circularity, and minimizing cost. A key contribution of this work is the explicit modeling of technological resilience, the ability of supply chains to maintain function under disruption. In the cost-minimization case, the resilience constraint makes the design approximately three times more expensive in the short-term metric, but shifts the system from relying on a single recovery pathway to a portfolio of four recovery pathways, improving the robustness of the optimization solution under uncertainty. Lastly, we introduce TranZero, a decision-support tool that integrates material flow analysis, hotspot identification, and optimization-based scenario planning to support net-zero and circularity decisions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications

Here, the increasing availability of graphics processing units (GPUs) for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. However, the complexity of integral kernels for high angular momentum basis functions often limits the utility of GPU implementations with large basis sets or for metal containing systems. In this work, we report the implementation of f function support in the GPU-accelerated TeraChem software package through the development of efficient kernels for the evaluation of Hamiltonian integrals. The high efficiency of the resulting code is demonstrated through density functional theory (DFT) calculations on increasingly large organic molecules and transition metal complexes, as well as coupled cluster singles and doubles calculations on water clusters. Preliminary investigations into Ni(I) catalysis with DFT and the photochemistry of MnH(CH 3 ) with complete active space self-consistent field are also carried out. Overall, our GPU-accelerated software appears to be well-suited for fast simulation of large transition metal containing systems, as well as organic molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

pnnl/emp-gnn

Efficient Graph Neural Network for Predicting Molecular Properties software can compare the prediction quality with ab initio DFT results reported by the high-performance state-of-theart NWChem quantum chemistry package [1] through Mean Absolute Error (MAE) obtained by the fitting between DFT and model predictions i.e, MPNN [2]. We also demonstrated the performance benefits by grouping large molecules by atom sizes, and executing GNN models on different types of resources. Since the training times depend on the number of atoms, we demonstrate the impact of distributing the workloads on two GPUs with varying capabilities (e.g., NVIDIA A100 vs. GeForce RTX 2080 Ti) to optimize the efficiency. We are at the precipice of broad adoption of GNNs for molecular property prediction tasks; hence, our work is timely by comparing model prediction against classical approaches with the intent of providing initial screening for specific classes of molecules.

Lee, Hyungro↗
DOE OSTI2025

An Early Investigation of the HHL Quantum Linear Solver for Scientific Applications

In this paper, we explore using the Harrow–Hassidim–Lloyd (HHL) algorithm to address scientific and engineering problems through quantum computing, utilizing the NWQSim simulation package on a high-performance computing platform. Focusing on domains such as power-grid management and climate projection, we demonstrate the correlations of the accuracy of quantum phase estimation, along with various properties of coefficient matrices, on the final solution and quantum resource cost in iterative and non-iterative numerical methods such as the Newton–Raphson method and finite difference method, as well as their impacts on quantum error correction costs using the Microsoft Azure Quantum resource estimator. We summarize the exponential resource cost from quantum phase estimation before and after quantum error correction and illustrate a potential way to reduce the demands on physical qubits. This work lays down a preliminary step for future investigations, urging a closer examination of quantum algorithms’ scalability and efficiency in domain applications.

hybrid software for QC-HPC↗
NASA NTRS1987

Microgravity fluid management in two-phase thermal systems

Initial studies have indicated that in comparison to an all liquid single phase system, a two-phase liquid/vapor thermal control system requires significantly lower pumping power, demonstrates more isothermal control characteristics, and allows greater operational flexibility in heat load placement. As a function of JSC's Work Package responsibility for thermal management of space station equipment external to the pressurized modules, prototype development programs were initiated on the Two-Phase Thermal Bus System (TBS) and the Space Erectable Radiator System (SERS). JSC currently has several programs underway to enhance the understanding of two-phase fluid flow characteristics. The objective of one of these programs (sponsored by the Microgravity Science and Applications Division at NASA-Headquarters) is to design, fabricate, and fly a two-phase flow regime mapping experiment in the Shuttle vehicle mid-deck. Another program, sponsored by OAST, involves the testing of a two-phase thermal transport loop aboard the KC-135 reduced gravity aircraft to identify system implications of pressure drop variation as a function of the flow quality and flow regime present in a representative thermal system.

Parish, Richard C.↗
NASA NTRS1988

The Solar Dynamic radiator with a historical perspective

A historical perspective on pumped loop space radiators provides a basis for the design of the Space Station Solar Dynamic (SD) power module radiator. SD power modules, capable of generating 25 kWe each, are planned for growth Station power requirements. The Brayton (cycle) SD module configuration incorporates a pumped loop radiator that must reject up to 99 kW. The thermal/hydraulic design conditions in combination with required radiator orientation and packaging envelope form a unique set of constraints as compared to previous pumped loop radiator systems. Nevertheless, past program successes have demonstrated a technology base which can be applied to the SD radiator development program to ensure a low risk, low cost system.

Mclallin, K. L.↗
NASA NTRS1992

A PC-based collapse factor analysis for high pressure cryogenic systems

A collapse factor simulation computer program, suitable for use on personal computers, for supercritical cryogen system pressurization is examined. The available literature is previewed, individual component models are developed, and the overall simulation program logic is examined. Extensive use is made of existing thermodynamic and transport property evaluation packages. Heat transfer is estimated using natural convection correlations, and transient wall heat conduction is considered. Examples of the simulation are demonstrated for two facilities. Partial validation is achieved by comparing the simulation output with data from an existing test facility. Preliminary results indicate that the collapse factors will seldom exceed 1.15 during supercritical operation of high-pressure cryogenic systems. Recommendations for improvements in the component models and the simulation are made.

Hodge, B. K.↗
NASA NTRS1992

LOLA: The lunar operations landing assembly

Because the President of the United States has begun the Space Exploration Initiative (SEI), which entails a manned mission to Mars by the year 2016, it is necessary to use the Moon as a stepping stone to this objective. In support of this mission, unmanned scientific exploration of the Moon will help re-establish man's presence there and will serve as a basis for possible lunar colonization, setting the stage for a manned Mars mission. The lunar landing platform must provide support to its payload in the form of power, communications, and thermal control. The design must be such that cost is held to a minimum, and so that a wide variety of payloads may be used with the lander. The objectives of this mission are (1) to further the SEI by returning to the moon with unmanned scientific experiments, (2) to demonstrate to the public that experimental payload missions are feasible, (3) to provide a common lunar lander platform so select scientific packages could be targeted to specific lunar locales, (4) to enable the lander to be built from off-the-shelf hardware, and (5) to provide first mission launch by 1996.

Abreu, Mike↗
NASA NTRS2008

A Study of Visualization for Mathematics Education

Graphical representations such as figures, illustrations, and diagrams play a critical role in mathematics and they are equally important in mathematics education. However, graphical representations in mathematics textbooks are static, Le. they are used to illustrate only a specific example or a limited set. of examples. By using computer software to visualize mathematical principles, virtually there is no limit to the number of specific cases and examples that can be demonstrated. However, we have not seen widespread adoption of visualization software in mathematics education. There are currently a number of software packages that provide visualization of mathematics for research and also software packages specifically developed for mathematics education. We conducted a survey of mathematics visualization software packages, summarized their features and user bases, and analyzed their limitations. In this survey, we focused on evaluating the software packages for their use with mathematical subjects adopted by institutions of secondary education in the United States (middle schools and high schools), including algebra, geometry, trigonometry, and calculus. We found that cost, complexity, and lack of flexibility are the major factors that hinder the widespread use of mathematics visualization software in education.

Daugherty, Sarah C.↗
NASA NTRS2015

Continental Spatio-Temporal Data Analysis with Linear Spectral Mixture Model Using FOSS

This work demonstrates the development and implementation of a Fully Constrained Least Squares (FCLS) unmixing model developed in C++ programming language with OpenCV package and boost C++ libraries in the NASA Earth Exchange (NEX). Visualization of the results is supported by GRASS GIS and statistical analysis is carried in R in a Linux system environment. FCLS was first tested on computer simulated data with Gaussian noise of various signal-to-noise ratio, and Landsat data of an agricultural scenario and an urban environment using a set of global end members of substrate (soils, sediments, rocks, and non-photosynthetic vegetation), vegetation that includes green photosynthetic plants and dark objects which encompasses absorptive substrate materials, clear water, deep shadows, etc. For the agricultural scenario, a spectrally diverse collection of 11 scenes of Level 1 terrain corrected, cloud free Landsat-5 TM data of Fresno, California, USA were unmixed and the results were validated with the corresponding ground data. To study an urbanized landscape, a clear sky Landsat-5 TM data were unmixed and validated with coincident World View-2 abundance maps (of 2 m spatial resolution) for an area of San Francisco, California, USA. The results were evaluated using descriptive statistics, correlation coefficient, RMSE, probability of success, boxplot and bivariate distribution function. Finally, FCLS was used for sub-pixel land cover analysis of the monthly WELD (Wen-enabled Landsat data) repository from 2008 to 2011 of North America. The abundance maps in conjunction with DMSP-OLS nighttime lights data were used to extract the urban land cover features and analyze their spatial-temporal growth.

Landsat Satellites↗
DOE OSTI2013

Cyclus fuel cycle simulation capabilities with the CYDER disposal system model

An algorithm and supporting database for rapid thermal repository loading calculation was implemented in CYDER. This algorithm employs a Specific Temperature Change (STC) method and has resulted from combining detailed spent nuclear fuel composition data with a detailed thermal repository performance analysis tool from Lawrence Livermore National Laboratory (LLNL), Argonne National Laboratory (ANL), and the Used Fuel Disposition (UFD) campaign. By abstraction of and benchmarking against these detailed thermal models, CYDER captures the dominant physics of thermal phenomena affecting repository capacity in various geologic media and as a function of spent fuel composition. Abstraction based on detailed computational thermal repository performance calculations with the LLNL semi-analytic model has resulted in implementation of the STC estimation algorithm and a supporting reference dataset. This method is capable of rapid estimation of temperature increase near emplacement tunnels as a function of waste composition, limiting radius, waste package spacing, near field thermal conductivity and near field thermal diffusivity. The sensitivity analyses and validation efforts conducted in this work demonstrate the capability of the CYDER tool to provide repository capacity and performance metrics in the context of dynamic fuel cycle.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Decommissioning and Demolition of a Redundant UK Research Facility at AWE Aldermaston - 12453

The redundant two-storey brick built research facility on the AWE Site at Aldermaston, UK is in the closing stages of decommissioning and demolition. The facility was used for a variety of purposes up to 1995 predominately involving the use of alpha-emitting isotopes. The two main areas of alpha-based contamination have been decommissioned with the removal of hot -boxes and fume cupboards on the ground floor and HEPA filter units and ventilation equipment on the first floor. Many of these activities were undertaken using both airline fed suits, (supplied via a free standing mobile unit), and full face respirators. Asbestos materials were located and cleared from the first floor by specialist contractor. All sections of active drain running from the building to the site active effluent disposal system were removed early in the program using established techniques with specialist monitoring equipment used to provide confidence in the data required for disposal of the decommissioning debris. In particular a dedicated High Resolution Gamma Spectrometer (radioactive materials scanning unit) was utilized to categorise waste drums and wrapped packages. The building has been decommissioned and the monitoring and sampling of the structure was completed in November 2011 - the results demonstrating that the building was clear of contamination in accordance with UK clearance and exemption requirements. The demolition plan was developed and implemented in December with site excavation of foundations and site clearance currently ongoing in preparation for final site backfill activities and project close. A number of useful lessons have been learnt during the operations and are set out at the rear of the main text. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

GaN-based W-band receiver chip development for fusion plasma diagnostics

Millimeter-wave diagnostics have proven effective on various magnetic fusion devices worldwide, yet the formidable challenges posed by the harsh environments of future burning plasma devices, characterized by extreme temperatures, pressures, and radiation levels, remain a significant hurdle. To address these challenges, the utilization of wide bandgap Gallium Nitride (GaN)-based millimeter-wave diagnostics is a most promising solution for fusion reactor safety monitoring and control. A noteworthy W-band GaN-based system-on-chip receiver has been the demonstrated by employing HRL T3 40 nm GaN technology. This receiver chip, compactly designed with dimensions of 3 × 5 mm 2 , incorporates essential components such as the 75–110 GHz RF Low-Noise Amplifier (LNA), mixer, Intermediate Frequency (IF) amplifier, and Local Oscillator (LO) chain. This receiver chip will be packaged as a millimeter-wave receiver module and applied on the DIII-D National Fusion Facility, for fusion plasma edge shape monitoring for operational safety and dangerous disruption prediction. The laboratory measurement results have demonstrated suitable performance. Furthermore, this advancement is pivotal for accurate analysis of plasma behavior in the extreme conditions of burning plasma devices, driving progress in fusion research and technology.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

PHASE II VAULT TESTING OF THE ARGONNE RFID SYSTEM

The U.S. Department of Energy (DOE) (Environmental Management [EM], Office of Packaging and Transportation [EM-45]) Packaging and Certification Program (DOE PCP) has developed a Radio Frequency Identification (RFID) tracking and monitoring system, called ARG-US, for the management of nuclear materials packages during transportation and storage. The performance of the ARG-US RFID equipment and system has been fully tested in two demonstration projects in April 2008 and August 2009. With the strong support of DOE-SR and DOE PCP, a field testing program was completed in Savannah River Site's K-Area Material Storage (KAMS) Facility, an active Category I Plutonium Storage Facility, in 2010. As the next step (Phase II) of continued vault testing for the ARG-US system, the Savannah River Site K Area Material Storage facility has placed the ARG-US RFIDs into the 910B storage vault for operational testing. This latest version (Mark III) of the Argonne RFID system now has the capability to measure radiation dose and dose rate. This paper will report field testing progress of the ARG-US RFID equipment in KAMS, the operability and reliability trend results associated with the applications of the system, and discuss the potential benefits in enhancing safety, security and materials accountability. The purpose of this Phase II K Area test is to verify the accuracy of the radiation monitoring and proper functionality of the ARG-US RFID equipment and system under a realistic environment in the KAMS facility. Deploying the ARG-US RFID system leads to a reduced need for manned surveillance and increased inventory periods by providing real-time access to status and event history traceability, including environmental condition monitoring and radiation monitoring. The successful completion of the testing program will provide field data to support a future development and testing. This will increase Operation efficiency and cost effectiveness for vault operation. As the next step (Phase II) of continued vault testing for the ARG-US system, the Savannah River Site K Area Material Storage facility has placed the ARG-US RFIDs into the 910B storage vault. Deploying the ARG-US RFID system lends to a reduced need for manned surveillance and increased inventory periods by providing real-time access to status and event history traceability, including radiation and environmental monitoring. The successful completion of the testing program will provide field data to support future development and testing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Applying understanding of likelihood and consequences to demonstrate post-closure criticality safety of a geological disposal facility - 14377

Radioactive Waste Management (RWM) is responsible for implementing geological disposal of the UK's higher activity wastes. These wastes include significant quantities of fissile nuclides and, therefore, demonstration of criticality safety under disposal conditions forms an important component of RWM's disposal system safety case. At the time of disposal, controls (e.g. fissile material limits and/or water barriers) will ensure that waste packages are sub-critical. These controls, plus the containment provided by the engineered barrier system of a geological disposal facility (GDF) will also ensure that criticality is prevented for a long time after disposal. However, over post-closure timescales conditions in the GDF will evolve, and therefore underpinning knowledge is required to demonstrate: under what conditions criticality could occur; what the likelihood of such conditions developing is; and what the consequences would be if a post-closure criticality did occur. These requirements are set out in the UK environment agencies' Guidance on Requirements for Authorisation of a GDF. This paper discusses the disposal of Pressurised Water Reactor fuel, as an example of a waste type that may require disposal. It briefly selects relevant research to combine and summarise results from three recent RWM research projects. The first 'Likelihood of Criticality' considered under what conditions post-closure criticality could occur, whilst a second 'Modelling of Consequences of Hypothetical Criticality' focused on understanding the local physical consequences (temperature rise, power and rock response) of hypothetical 'what-if' post-closure criticality. The paper then explains how this understanding is applied to make safety arguments as to why post-closure criticality is not a significant concern. This is achieved via a third, stream of work that has considered the effects of a potential criticality on pathways that might give rise to a post-closure risk in the future, such as transport of radionuclides in groundwater. Collectively RWMs post-closure criticality safety work allows us to conclude in our generic environmental safety case that a post closure criticality is a low likelihood event, and even if one of these low likelihood events was to occur its consequences would be insignificant to GDF performance. This paper also serves to give context to two companion UK post-closure criticality safety papers which communicate further information on our modelling development and more detailed results underpinning our demonstration of post-closure criticality safety. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking

Efficient accelerator modeling and particle tracking are key for the design and configuration of modern particle accelerators. In this work, we present JuTrack, a nested accelerator modeling package developed in the Julia programming language and enhanced with compiler-level automatic differentiation (AD). With the aid of AD, JuTrack enables rapid derivative calculations in accelerator modeling, facilitating sensitivity analyses and optimization tasks. Here we demonstrate the effectiveness of AD-derived derivatives through several practical applications, including sensitivity analysis of space-charge-induced emittance growth, nonlinear beam dynamics analysis for a synchrotron light source, and lattice parameter tuning of the future Electron-Ion Collider (EIC). Through the incorporation of automatic differentiation, this package opens up new possibilities for accelerator physicists in beam physics studies and accelerator design optimization.

43 PARTICLE ACCELERATORS↗