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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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Sesame-style decomposition of KS-DFT molecular dynamics for direct interrogation of nuclear models
A common paradigm used in the construction of equations of state is to decompose the thermodynamics into a superposition of three terms: a static-lattice cold curve, a contribution from the thermal motion of the nuclei, and a contribution from the thermal excitation of the electrons. While statistical mechanical models for crystals provide tractable framework for the nuclear contribution in the solid phase, much less is understood about the nuclear contribution above the % melt temperature $(C^{(nuc)}_ν≈3R)$ and how it should transition to the high-temperature limit $(C^{(nuc)}_ν\sim\frac{3}{2}R)$. Here, we describe an algorithm for extracting both the thermal nuclear and thermal electronic contributions from quantum molecular dynamics (QMD) simulations. We then use the VASP QMD package to probe thermal nuclear behavior of liquid aluminum at normal density to compare the results to semi-empirical models – the Johnson generic model, the Chisolm high-temperature liquid model, and the CRIS model. The thermal electronic energy is also calculated from the VASP results and compared to the Kohn-Sham calculations from QE-DFT simulations, Green’s function average atom calculations, and the Thomas-Fermi atomic model.
High speed impact tests of a model nuclear reactor containment system
Reactor-shield-containment system models under impact tests, noting cracks, leaks and deformations
On modelling nuclear reactions in meteorites
An original method of experimental modeling depth distribution of radionuclides in sphere thick targets irradiated by protons in 4(pi)-geometry on JINR (Dubna) synchrocyclotron is described. Some results are presented.
Validation of nuclear models used in space radiation shielding applications
A program of verification and validation has been undertaken to assess the applicability of models to space radiation shielding applications and to track progress as these models are developed over time. In this work, simple validation metrics applicable to testing both model accuracy and consistency with experimental data are developed. The developed metrics treat experimental measurement uncertainty as an interval and are therefore applicable to cases in which epistemic uncertainty dominates the experimental data. To demonstrate the applicability of the metrics, nuclear physics models used by NASA for space radiation shielding applications are compared to an experimental database consisting of over 3600 experimental cross sections. A cumulative uncertainty metric is applied to the question of overall model accuracy, while a metric based on the median uncertainty is used to analyze the models from the perspective of model development by examining subsets of the model parameter space.
The fundamental role of symmetry in nuclear models
The purpose of these lectures is to illustrate how symmetry and pattern recognition play essential roles in the progression from experimental observation to an understanding of nuclear phenomena in terms of interacting neutrons and protons. We do not discuss weak interactions nor relativistic and sub-nucleon degrees of freedom. The explicit use of symmetry and the power of algebraic methods, in combination with analytical and geometrical methods are illustrated by their use in deriving a shell-model description of nuclear rotational dynamics and the structure of deformed nuclei.
Modeling nuclear energy’s future role in decarbonized energy systems
Increased attention has been focused on the potential role of nuclear energy in future electricity markets and energy systems as stakeholders target rapid and deep decarbonization and reductions in fossil fuel use. This paper examines models of electric sector planning and broader energy systems optimization to understand the prospective roles of nuclear energy and other technologies. In this perspective, we survey modeling challenges in this environment, illustrate opportunities to propagate best practices, and highlight insights from the deep decarbonization literature on the range of visions for nuclear energy's role. Nuclear energy deployment is highest with combinations of stringent emissions policies, nuclear cost reductions, and constraints on the deployment of other technologies, which underscores model dimensions related to these areas. New modeling capabilities are needed to adequately address emerging issues, including representing characteristics and applications of nuclear energy in systems models, and to ensure the relevance of models for policy and planning as deeper decarbonization is explored.
Modeling nuclear waste disposal in crystalline rocks at the Forsmark and Olkiluoto repository sites – Evaluation of potential thermal–mechanical damage to repository excavations
We conduct coupled thermo-hydro-mechanical modeling of a KBS-3V repository design in crystalline rocks, using data and conditions from the Forsmark in Olkiluoto repository sites in Sweden and Finland. The study focuses on repository performance related to the impact of thermal and hydraulic evolution on the potential for thermal–mechanical damage to underground repository excavations. For the designs and conditions considered at the Forsmark and Olkiluoto repository sites, the simulations show a peak temperature well under the adopted performance target of a 100°C maximum temperature, whereas there is still a high potential for thermal–mechanical damage to the KBS-3V waste deposition holes. The thermal–mechanical damage is much more likely if rock permeability is so low that it delays saturation and swelling of bentonite-clay-based backfill beyond the time for the thermal–mechanical peak, which occurs 50 to 100 years after nuclear waste deposition. We also found that sidewalls of the KBS-3V emplacement tunnels are vulnerable to tensile fracturing due to the combined effect of thermal stressing and backfill swelling. The study highlights a strong interaction between bentonite-based backfill and host rock through capillary suction along with induced rock desaturation. A careful design and selection of the bentonite-clay-based backfill materials for KBS-3V tunnels and deposition holes can facilitate a timely saturation and backfill swelling that in turn can minimize thermal–mechanical damage.
Modelling Nuclear Thermal Propulsion Reactor Expander Cycle Startup Transients
As the interest in nuclear thermal propulsion grows, the need for high fidelity and comprehensive models of the system increases. An expander cycle model was developed using RELAP-7 for the thermal-hydraulic performance and Griffin to provide the power level using a point kinetics approximation, for a reference NTP system. The tank and pump are approximated using boundary conditions. Flow is split between the moderator cooling channels flow path and the regenerative cooling/reflector cooling channels flow path. The flow recombines before entering the turbine and the fuel cooling channels. The turbine pressure ratio is maintained at 1.44 using a PID controller. A startup transient was simulated and shows the capability of the model to run from low temperature and pressures to nominal conditions.
Modelling Nuclear Thermal Propulsion Reactor Expander Cycle Startup Transients
As the interest in nuclear thermal propulsion grows, the need for high fidelity and comprehensive models of the system increases. An expander cycle model was developed using RELAP-7 for the thermal-hydraulic performance and Griffin to provide the power level using a point kinetics approximation, for a reference NTP system. The tank and pump are approximated using boundary conditions. Flow is split between the moderator cooling channels flow path and the regenerative cooling/reflector cooling channels flow path. The flow recombines before entering the turbine and the fuel cooling channels. The turbine pressure ratio is maintained at 1.44 using a PID controller. A startup transient was simulated and shows the capability of the model to run from low temperature and pressures to nominal conditions.
Modeling Nuclear Thermal Propulsion Startup Transients
A poster for the 2021 intern poster session. This poster details the RELAP-7/Griffin model developed for transient simulations to compare the effects of startup sequencing on the propellant efficiency, startup time, and maximum core temperature of a nuclear thermal propulsion (NTP) system. The sequencing parameters under consideration in this study are the ramping rates of both reactivity insertion and hydrogen propellant mass flow rate. Recommendations are made regarding startup sequencing based on the results produced by this model.
An 810 ft/sec soil impact test of a 2-foot diameter model nuclear reactor containment system
A soil impact test was conducted on a 880-pound 2-foot diameter sphere model. The impact area consisted of back filled desert earth and rock. The impact generated a crater 5 feet in diameter by 5 feet deep. It buried itself a total of 15 feet - as measured to the bottom of the model. After impact the containment vessel was pressure checked. No leaks were detected nor cracks observed.
A 640 foot per second impact test of a two foot diameter model nuclear reactor containment system without fracture
An impact test was conducted on an 1142 pound 2 foot diameter sphere model. The purpose of this test was to determine the feasibility of containing the fission products of a mobile reactor in an impact. The model simulated the reactor core, energy absorbing gamma shielding, neutron shielding and the containment vessel. It was impacted against an 18,000 pound reinforced concrete block. The model was significantly deformed and the concrete block demolished. No leaks were detected nor cracks observed in the model after impact.
A 1055 ft/sec impact test of a two foot diameter model nuclear reactor containment system without fracture
A study to determine the feasibility of containing the fission products of a mobile reactor in the event of an impact is presented. The model simulated the reactor core, energy absorbing gamma shielding, neutron shielding and the containment vessel. It was impacted against an 18,000 pound reinforced concrete block at 1055 ft/sec. The model was significantly deformed and the concrete block demolished. No leaks were detected nor were any cracks observed in the model after impact.
Nuclear model calculations on the production of {sup 125,123}Xe and {sup 133,131,129,128}Ba radioisotopes
In this study, production rates of {sup 125,123}Xe and {sup 133,131,129,128}Ba medical isotopes produced by {sup 127}I(p, 3n){sup 125}Xe, {sup 127}I(p, 5n){sup 123}Xe, {sup 133}Cs(p, n){sup 133mg}Ba, {sup 133}Cs(p, 3n){sup 131mg}Ba, {sup 133}Cs(p, 5n){sup 129}Ba, and {sup 133}Cs(p, 6n){sup 128}Ba reactions have been investigated up to 100 MeV incident proton energy. The preequilibrium calculations involve the hybrid model, the geometry-dependent hybrid model and the cascade exciton model. The calculated results are compared with the experimental data taken from the literature.
Magnetic structure of A ≤ 10 nuclei using the Norfolk nuclear models with quantum Monte Carlo methods
Here we present quantum Monte Carlo calculations of magnetic moments, form factors, and densities of A ≤ 10 nuclei within a chiral effective field theory approach. We use the Norfolk two- and three-body chiral potentials and their consistent electromagnetic one- and two-nucleon current operators. We find that two-body contributions to the magnetic moment can be large (up to ≈ 33% in A = 9 systems). We study the model dependence of these observables and place particular emphasis on investigating their sensitivity to using different cutoffs to regulate the many-nucleon operators. Calculations of elastic magnetic form factors for A ≤ 10 nuclei show excellent agreement with the data out to momentum transfers q ≈ 3 fm -1 .
Modelling Nuclear Thermal Propulsion Reactor Startup Transients
The National Aeronautics and Space Administration (NASA) has set the goal of a manned mission to Mars by the year 2030 [1] and charged the national academy of sci- ences "to identify primary technical and programmatic chal- lenges, merits, and risks for maturing space nuclear propulsion technologies of interest to a future human Mars exploration mission" [2]. One relevant technology, nuclear thermal propul- sion (NTP), has notable advantages over traditional chemical rockets; most important among them is the ability to produce larger specific impulse on the order of 900s. The reduction of mission time is crucial for a manned mission to Mars to reduce the risk for the crew. Due to its higher specific impulse, NTP satisfies this need and is pursued as one technology to get humans to Mars [3, 4]. The construction of an NTP sys- tem has to negotiate several challenges laid out in Ref. [2]; one of these challenges is the need to startup the NTP sys- tem from essentially cold conditions to full power within one minute. This paper focuses on studying the neutronics and thermal-hydraulics behavior of a simplified NTP model dur- ing prescribed reactivity insertions and mass flow rate (MFR) ramps. It is the goal of this paper to investigate startup, peak material temperatures, and average specific impulse for a low enriched Uranium (LEU), ceramic and metal material (CER- MET) NTP system when varying reactivity insertion and MFR ramps.
Compositional Dependence of Solubility/Retention of Molybdenum Oxides in Aluminoborosilicate-Based Model Nuclear Waste Glasses
We present that molybdenum oxides are an integral component of the high-level waste streams being generated from the nuclear reactors in several countries. Although borosilicate glass has been chosen as the baseline waste form by most of the countries to immobilize these waste streams, molybdate oxyanions (MoO 4 2- ) exhibit very low solubility (~1 mol %) in these glass matrices. In the past three to four decades, several studies describing the compositional and structural dependence of molybdate anions in borosilicate and aluminoborosilicate glasses have been reported in the literature, providing a basis for our understanding of fundamental science that governs the solubility and retention of these species in the nuclear waste glasses. However, there are still several open questions that need to be answered to gain an in-depth understanding of the mechanisms that control the solubility and retention of these oxyanions in glassy waste forms. This article is focused on finding answers to two such questions: (1) What are the solubility and retention limits of MoO 3 in aluminoborosilicate glasses as a function of chemical composition? (2) Why is there a considerable increase in the solubility of MoO 3 with incorporation of rare-earth oxides (for example, Nd 2 O 3 ) in aluminoborosilicate glasses? Accordingly, three different series of aluminoborosilicate glasses (compositional complexity being added in a tiered approach) with varying MoO 3 concentrations have been synthesized and characterized for their ability to accommodate molybdate ions in their structure (solubility) and as a glass-ceramic (retention). The contradictory viewpoints (between different research groups) pertaining to the impact of rare-earth cations on the structure of aluminoborosilicate glasses are discussed, and their implications on the solubility of MoO 3 in these glasses are evaluated. Lastly, a novel hypothesis explaining the mechanism governing the solubility of MoO 3 in rare-earth containing aluminoborosilicate glasses has been proposed.