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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

NEWTS Economic Data Dashboard: Critical Materials for Energy

The NEWTS Economic Data Dashboard: Critical Materials for Energy is an economic screening tool for assessing the concentration and potential value of the 18 critical materials for energy in fossil energy-related wastewater across the United States. Datasets used to develop the dashboard and complete economic calculations are available as supplementary downloads. These resources were developed primarily using geochemical composition and volume data from the NEWTS Integrated dataset (version 1.0). Energy-related wastewater types presented in the dashboard include produced water (PW), brackish groundwater (BW), acid mine drainage (AMD), coal combustion residual leachate (CCRL), power plant flue gas desulfurization wastewater (FGD), and geothermal fluids. The concentrations of the following critical minerals were included in the analysis, when available: Al, Co, Cu, Dy, F, Ga, Ge, C, Ir, Li, Mg, Mn, Nd, Ni, Pt, Pr, Si, Tb. This economic screening tool was built to support identification of promising critical mineral feedstocks and economic research targets.

Critical Minerals; Critical Minerals and Materials↗
DOE OSTI2020

Constrained Bayesian Optimization of Criticality Experiments [Slides]

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

42 ENGINEERING↗
DOE OSTI2020

Constrained Bayesian Optimization of Criticality Experiments at LLNL [Slides]

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

42 ENGINEERING↗
DOE OSTI2022

Domestic and International Standards for Nuclear Criticality Safety – Overview and Status

The domestic and international consensus standards for nuclear criticality safety (NCS) have provided guidance for staff performing hands-on work in operations with fissionable materials. These consensus standards have contributed directly to the significant reduction in the rate of criticality accidents in process facilities since the 1940s. The last known criticality accident inside the United States was in 1978 (nearly 43 years ago) at the Idaho Chemical Processing Plant, and outside the United States, an accident occurred at Tokai-mura, Japan, in 1999 (23 years ago). The domestic consensus standards for NCS include the American Nuclear Society (ANS) standards. The ANS Standards Board, the NCS Consensus Committee, and the ANS-8 Subcommittee oversee the development and maintenance of these standards. There are currently eighteen standards in the ANS-8 series. Currently, there are six ANS-8 standards in revision mode and eleven in a maintenance mode with one new standard under development. The international consensus standards for NCS calculations, procedures, and practices are maintained and developed within the International Organization for Standardization (ISO), Technical Committee 85 on Nuclear Energy, Subcommittee 5 on Nuclear Fuel Technology, and Working Group 8, “Nuclear Criticality Safety.” Eleven standards are currently available, three standards are in revision mode, and two standards are development. This paper provides the NCS community with an overview and status report of domestic and international NCS consensus standards to stimulate interest and to support their continued development.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Hand Calculations for Nuclear Criticality Safety – Primer Revision

The document “ Hand Calculation Methods for Criticality Safety – A Primer, ” was published by the authors (Los Alamos National Laboratory report LA-14244-M) in December 2006 to provide an overview of the most common hand calculation methods used for criticality safety analysis. Hand calculation methods can be used as a starting point for more advanced calculations, and in many circumstances, they can provide sensitivity and perturbation information quicker than using a criticality code, such as KENO or MCNP. This report has been revised to augment existing basis information and example problems for each of the methods discussed: 1-group and modified 1- group diffusion theory, core-density conversions, buckling conversions, limiting surface density method, density analog method, surface density method, and solid angle method. This primer discusses the applicability of the various methods, illustrates how they are used, and provides an interpretation of the example problem results. The example problems provided are simple, practical problems, and the reference data to solve each example problem is provided. This paper will provide an overview of the Primer revision and how it can be useful for new Nuclear Criticality Safety practitioners.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Domestic and International Standards for Nuclear Criticality Safety - Overview & Status [Abstract]

The domestic and international consensus standards for nuclear criticality safety (NCS) have provided guidance for staff performing hands-on work in operations with fissionable materials. These consensus standards have contributed directly to the significant reduction in the rate of criticality accidents in process facilities since the 1940s. The last known criticality accident inside the United States was in 1978 (nearly 43 years ago) at the Idaho Chemical Processing Plant, and outside the United States, an accident occurred at Tokai-mura, Japan, in 1999 (22 years ago). The domestic consensus standards for NCS include the American Nuclear Society (ANS) standards. The ANS Standards Board, the NCS Consensus Committee, and the ANS-8 Subcommittee oversee the development and maintenance of these standards. There are currently eighteen standards in the ANS-8 series. Currently, there are six ANS-8 standards in re- vision mode and eleven in a maintenance mode with one new standard under development. The international consensus standards for NCS calculations, procedures, and practices are maintained and developed within the International Organization for Standardization, Technical Committee 85 on Nuclear Energy, Subcommittee 5 on Nuclear Fuel Technology, and Working Group 8, “Nuclear Criticality Safety.” Eleven standards are currently available, three standards are in revision mode, and two standards are development. This paper provides the NCS community with an overview and status report of domestic and international NCS consensus standards to stimulate interest and to support their continued development.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2022

Thermal Neutron Scattering Law for Beryllium Hydride and Critical Mass Calculations

The thermal neutron scattering law (TSL) for crystalline beryllium hydride (BeH 2 ) is developed from first-principles ab initio lattice dynamics calculations and the impact of neutron thermalization in this material on critical mass is estimated. BeH 2 has a body-centered orthorhombic crystal structure with 12 molecules per unit cell and a theoretical density of 0.755 g/cm 3 . The vibrational (phonon) densities of states for H and Be bound in BeH 2 are determined using VASP density functional theory and PHONON lattice dynamics calculations. The TSLs for H bound in BeH 2 , H(BeH 2 ), and Be bound in BeH 2 , Be(BeH 2 ), are then evaluated in the incoherent approximation from the calculated H and Be partial phonon density of states using FLASSH. Finally, critical mass as a function of 235 U loading density for bare and reflected BeH 2 moderated spheres is predicted from MC21 Monte Carlo neutron transport calculations using ENDF/B-VIII.0 cross sections and the H(BeH 2 ) and Be(BeH 2 ) TSL evaluations. Comparisons are made to water (H 2 O), polyethylene (CH 2 ), and beryllium oxide (BeO) as moderators. These critical mass predictions are a refinement upon the prior work by Rao and Srinivasan that neglected thermal neutron scattering effects. The minimum critical mass of a BeH 2 moderated assembly is estimated to be 0.207 kg 235 U for a 0.20 m thick BeO reflected sphere and 0.178 kg 235 U for a 0.40 m thick BeO reflected sphere.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Hand Calculations for Nuclear Criticality Safety — Primer Revision [Abstract]

The document “ Hand Calculation Methods for Criticality Safety –A Primer, ” was published by the authors (Los Alamos National Laboratory report LA-14244-M) in December 2006 to provide an overview of the most common hand calculation methods used for criticality safety analysis. Hand calculation methods can be used as a starting point for more advanced calculations, and in many circumstances, they can provide sensitivity and perturbation information quicker than using a criticality code, such as KENO or MCNP. This report has been revised to augment existing basis information and example problems for each of the methods discussed: 1-group and modified 1-group diffusion theory, core-density conversions, buckling conversions, limiting surface density method, density analog method, surface density method, and solid angle method. This primer discusses the applicability of the various methods, illustrates how they are used, and provides an interpretation of the example problem results. The example problems provided are simple, practical problems, and the reference data to solve each example problem is provided. This paper will provide an overview of the Primer revision and how it can be useful for new Nuclear Criticality Safety practitioners.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2022

Experiments to Measure the Inversion Point of the Isothermal Reactivity Coefficient in a Water-Moderated Pin-Fueled Critical Assembly at Sandia

A new set of critical experiments exploring the temperature-dependence of the reactivity in a critical assembly is described. In the experiments, the temperature of the critical assembly will be varied to determine the temperature that produces the highest reactivity in the assembly. This temperature is the inversion point of the isothermal reactivity coefficient of the assembly. An analysis of relevant configurations is presented. Existing measurements are described and an analysis of these experiments presented. The overall experimental approach is described as are the modifications to the critical assembly needed to perform the experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Verification and Validation of the New MCNP6.3 Criticality Features

The MCNP6® code, version 6.3, has been extensively verified and validated for many applications. The use of the same default capabilities existing in the MCNP6.2 code are also used in the verification and validation (V&V) of the MCNP6.3 code. In this paper, selected new features, code enhancements, and bug fixes in the MCNP6.3 code that impact criticality safety applications are described and investigated. More specifically, the changes within the MCNP6.3 code that are studied in this work include both the new fission matrix and the Doppler broadening resonance correction (DBRC) features. For nuclear criticality safety applications, the V&V benchmark problems within the criticality, extended criticality, and Rossi-α suites are used to study the upgrades within the MCNP6.3 code. Some additional investigations into benchmarks at elevated temperatures are used to showcase the impacts of the temperature-specific capabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Material Design Strategies for Recovery of Critical Resources from Water

Population growth, urbanization, and decarbonization efforts are collectively straining the supply of limited resources that are necessary to produce batteries, electronics, chemicals, fertilizers, and other important products. Securing the supply chains of these critical resources via the development of separation technologies for their recovery represents a major global challenge to ensure stability and security. Surface water, groundwater, and wastewater are emerging as potential new sources to bolster these supply chains. Recently, a variety of material-based technologies have been developed and employed for separations and resource recovery in water. Judicious selection and design of these materials to tune their properties for targeting specific solutes is central to realizing the potential of water as a source for critical resources. Here, the materials that are developed for membranes, sorbents, catalysts, electrodes, and interfacial solar steam generators that demonstrate promise for applications in critical resource recovery are reviewed. In addition, a critical perspective is offered on the grand challenges and key research directions that need to be addressed to improve their practical viability.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Updating Critical Temperature Calculations for Several Secondary High Explosives

In designing experiments where high explosives (HEs) are heated, it is important to have an understanding of where thermal runaway may occur. This determination is often done by using the Frank-Kamenetskii (FK) equation. For several highly-studied HEs, the parameters necessary for FK calculations are typically referenced from decades-old literature, and more recent experimental data have shown that these values require adjustment. For example, some of the legacy parameters dangerously overpredict the critical temperature by tens of degrees relative to more recent observed values. Herein, we first summarize historical results and highlight the importance of insulation effects when estimating critical temperatures for small samples, which is especially relevant to small-scale aging, compatibility, and characterization experiments. Here, we then present updated FK parameters for several common secondary CHNO HEs like RDX, HMX, PETN, and TATB, as well as the first reported values for 2,6-Diamino-3,5-dinitropyrazine-1-oxide (LLM-105). Our updated parameters produce critical-temperature curves that are consistent with both mm-scale differentical scanning calorimetry (DSC) measurements and cm-scale data from the Lawrence Livermore National Laboratory one-dimensional time-to-explosion (ODTX) experiment. In analyzing the critical temperature versus sample size curves derived from the transcendental FK equation, we discovered that these curves are remarkably well described by a simple power-law function with a universal power of 0.142 and a HE-specific scaling factor.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Selective recovery of critical materials in zero-liquid discharge supercritical water desalination

Zero-liquid discharge desalination techniques are being actively studied as alternative means to produce drinkable water and recover valuable resources without polluting the environment. Supercritical water desalination is one of such alternatives that can overcome the technical and environmental challenges in standard desalination techniques. In addition to these attractive features, this work explores the possibility of utilizing supercritical water desalination for the selective recovery of strategic (critical) materials as co-products. Here, to validate the technical and economic feasibility of the process, we prepared model brine solutions that consist of sodium, neodymium, and different anions and conducted a series of desalination experiments. The results were analyzed experimentally and theoretically and were utilized to evaluate the economic feasibility of the process. When a few tens or hundreds of parts-per-million critical materials are dissolved in the feed, the proposed method becomes more cost-effective in producing critical materials than existing technologies. In addition, it does not discharge any concentrated contaminants while producing drinkable water. These results suggest that supercritical water desalination can recover critical materials while producing freshwater in an economically feasible fashion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Development of physics-consistent conditional diffusion model to overcome data scarcity in critical heat flux

Deep generative modeling provides a powerful pathway to overcome data scarcity in energy-related applications where experimental data are often limited. By learning the underlying probability distribution of the training dataset, deep generative models, such as the diffusion model, can generate high-fidelity synthetic samples that statistically resemble the training data. Such synthetic data generation can significantly enrich the size and diversity of the available training data, and more importantly, improve the robustness of downstream machine learning models in predictive tasks. The objective of this paper is to investigate the effectiveness of diffusion models for overcoming data scarcity in nuclear energy applications. By leveraging a public dataset on critical heat flux which covers a wide range of commercial nuclear reactor operational conditions, we developed a diffusion model that can generate an arbitrary amount of synthetic samples. Since a vanilla diffusion model can only generate samples randomly, we also developed a conditional diffusion model capable of generating targeted critical heat flux data under user-specified thermal-hydraulic conditions. The performance of the diffusion model was evaluated based on its ability to capture empirical feature distributions and pair-wise correlations, as well as to maintain physical consistency. The results showed that both the diffusion model and conditional diffusion model can successfully generate realistic and physics-consistent critical heat flux data. Furthermore, uncertainty quantification results demonstrate that the conditional diffusion model is highly effective in augmenting critical heat flux data while maintaining acceptable levels of uncertainty.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Effective and asymptotic criticality of structurally disordered magnets

Changes in magnetic critical behaviour of quenched structurally-disordered magnets are usually exemplified in experiments and in MC simulations by diluted systems consisting of magnetic and non-magnetic components. In our study we aim to show that similar effects can be observed not only for diluted magnets with non-magnetic impurities but may be implemented, e.g., by the presence of two (and more) chemically different magnetic components as well. Therefore we consider a model of the structurally-disordered quenched magnet where all lattice sites are occupied by Ising-like spins of different lengths L. In such a random spin length Ising model, the length L of each spin is a random variable governed by the distribution function p (L). We demonstrate that this model belongs to the universality class of the site-diluted Ising model. This proves that both models are described by the same values of asymptotic critical exponents. However, their effective critical behaviour differs. As a case study, we consider a quenched mixture of two different magnets with values of elementary magnetic moments L 1 = 1 and L 2 = s, and of concentration c and 1 - c, correspondingly. We apply field-theoretical renormalization group approach to analyse the renormalization group flow for different initial conditions, triggered by s and c, and to calculate effective critical exponents further away from the fixed points of the renormalization group transformation. We show how the effective exponents are governed by difference in properties of the magnetic components.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Pressure-tuned quantum criticality in the large-D antiferromagnet DTN

Strongly correlated spin systems can be driven to quantum critical points via various routes. In particular, gapped quantum antiferromagnets can undergo phase transitions into a magnetically ordered state with applied pressure or magnetic field, acting as tuning parameters. These transitions are characterized by z = 1 or z = 2 dynamical critical exponents, determined by the linear and quadratic low-energy dispersion of spin excitations, respectively. Employing high-frequency susceptibility and ultrasound techniques, we demonstrate that the tetragonal easy-plane quantum antiferromagnet NiCl 2 · 4SC(NH 2 ) 2 (aka DTN) undergoes a spin-gap closure transition at about 4.2 kbar, resulting in a pressure-induced magnetic ordering. The studies are complemented by high-pressure-electron spin-resonance measurements confirming the proposed scenario. Powder neutron diffraction measurements revealed that no lattice distortion occurs at this pressure and the high spin symmetry is preserved, establishing DTN as a perfect platform to investigate z = 1 quantum critical phenomena. The experimental observations are supported by DMRG calculations, allowing us to quantitatively describe the pressure-driven evolution of critical fields and spin-Hamiltonian parameters in DTN.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Field-induced quantum critical point in the itinerant antiferromagnet Ti 3 Cu 4

New phases of matter emerge at the edge of magnetic instabilities, which can occur in materials with moments that are localized, itinerant or intermediate between these extremes. In local moment systems, such as heavy fermions, the magnetism can be tuned towards a zero-temperature transition at a quantum critical point (QCP) via pressure, chemical doping, and, rarely, magnetic field. By contrast, in itinerant moment systems, QCPs are more rare, and they are induced by pressure or doping; there are no known examples of field induced transitions. This means that no universal behaviour has been established across the whole itinerant-to-local moment range—a substantial gap in our knowledge of quantum criticality. Here we report an itinerant antiferromagnet, Ti 3 Cu 4 , that can be tuned to a QCP by a small magnetic field. We see signatures of quantum criticality and the associated non-Fermi liquid behaviour in thermodynamic and transport measurements, while band structure calculations point to an orbital-selective, spin density wave ground state, a consequence of the square net structural motif in Ti 3 Cu 4 . Ti 3 Cu 4 thus provides a platform for the comparison and generalisation of quantum critical behaviour across the whole spectrum of magnetism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Kilowatt Reactor Using Stirling TechnologY (KRUSTY) Cold Critical Measurements

For the Kilowatt Reactor Using Stirling TechnologY (KRUSTY) cold critical experiments, the KRUSTY component critical configuration was modified by the addition of parts that would be required for cold, warm, and hot critical experiments (including the vacuum chamber as well as the heat pipes and associated parts). Reactivity measurements were performed on the KRUSTY cold critical experimental configurations with the goal of obtaining reactivity-worth measurements on the beryllium oxide (BeO) reflector and the boron carbide (B 4 C) control rod parts. The resulting data are consistent and allow for accurate identification of the BeO and B 4 C part thicknesses required to achieve the excess reactivity needed for the KRUSTY warm and hot experimental configurations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗