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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 145 records · Page 8

Improved limits on dark matter annihilation in the Sun with the 79-string IceCube detector and implications for supersymmetry

We present an improved event-level likelihood formalism for including neutrino telescope data in global fits to new physics. We derive limits on spin-dependent dark matter-proton scattering by employing the new formalism in a re-analysis of data from the 79-string IceCube search for dark matter annihilation in the Sun, including explicit energy information for each event. The new analysis excludes a number of models in the weak-scale minimal supersymmetric standard model (MSSM) for the first time. This work is accompanied by the public release of the 79-string IceCube data, as well as an associated computer code for applying the new likelihood to arbitrary dark matter models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Benchmark Specification for FFTF LOFWOS Test #13

The Fast Flux Test Facility (FFTF) at the Hanford site in Washington was designed by the Westinghouse Electric Corporation for the U.S. Department of Energy. FFTF was a 400 MW thermal, oxide-fueled, liquid sodium cooled test reactor, built to assist development and testing of advanced fuels and materials for fast breeder reactors. After reaching criticality in 1980, FFTF operated until 1992, providing the U.S. Department of Energy (DOE) with the means to test fuels, materials, and other components in a fast neutron flux environment. In July 1986, a series of unprotected transients (with the plant protection system intentionally disabled) were performed in FFTF as part of the passive safety demonstration program. Among these were thirteen loss of flow without scram (LOFWOS) tests. The goals of this program included confirming the liquid metal reactor safety margins, providing data for computer code validation, and demonstrating the inherent and passive safety benefits of specific design features. The test defined in this benchmark is LOFWOS Test #13, which was initiated at 50% power and 100% flow with the pump pony motors turned off. This benchmark specification is intended to support collaborative efforts within international partnerships on the validation of simulation tools and models in the area of Sodium-cooled Fast Reactor (SFR) safety. Validated tools and models are needed to evaluate SFR inherent safety characteristics and assess the impact of passive design features in response to accident initiators. Comparisons with experimental data and the results of safety analyses from other groups create unique opportunities to improve predictive capabilities of computational codes and methods for SFR modeling and simulation. The conditions of the LOFWOS test along with the feedback from FFTF’s limited free bow core restraint system and the novel passive reactivity control Gas-Expansion Modules (GEMs) pose a very challenging and uniquely valuable benchmark exercise.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Behavior of fuel with zirconium alloy cladding in reactivity-initiated accident and loss-of-coolant accident - 2016-0090

Along with our colleagues at the Japan Atomic Energy Research Institute (JAERI) and Japan Atomic Energy Agency (JAEA), we have performed extensive research programs for more than 2 decades and have developed a better understanding of fuel behavior under accident conditions. Data and findings from these research programs have provided the technical basis directly and indirectly for regulatory criteria in Japan and other countries. This paper reviews and summarizes the major outcomes from the research programs performed at JAERI and JAEA facilities and identifies further research needs. The programs aim to generate data and models to (1) evaluate the adequacy of present safety criteria and safety margins; (2) create a database for the future regulation of higher-burnup UO{sub 2} and mixed-oxide (MOX) fuels, new cladding, and pellets; (3) provide adequately mechanistic computer codes for regulatory application; (4) promote a better understanding of phenomena that appear in high-burnup regions and MOX fuels, such as rim effect and an effect of plutonium agglomerates in MOX fuels, and to evaluate those effects on fuel behavior in accident conditions; and (5) to assess fuel behaviors with higher fuel duty, such as plant power uprates, longer operating cycles, and water chemistry changes. The programs comprise reactivity-initiated accident studies, including pulse-irradiation experiments in the Nuclear Safety Research Reactor, cladding mechanical tests, and the development and verification of RANNS; loss-of-coolant accident tests, including integral thermal shock tests, oxidation rate measurements, and cladding mechanical tests; development and verification of a computer code FEMAXI-6 that simulates high-burnup fuel behavior under normal operating and abnormal transient conditions; and studies on phenomena specific to high-burnup regions, including thermal property measurements, experimental and analytical simulation of rim structure formation, cladding mechanical tests on effects of hydrides, etc. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

RAZORBACK - A Research Reactor Transient Analysis Code Version 1.0 - Volume 3: Verification and Validation Report.

This report describes the work and results of the verification and validation (V&V) of the version 1.0 release of the Razorback code. Razorback is a computer code designed to simulate the operation of a research reactor (such as the Annular Core Research Reactor (ACRR)) by a coupled numerical solution of the point reactor kinetics equations, the energy conservation equation for fuel element heat transfer, the equation of motion for fuel element thermal expansion, and the mass, momentum, and energy conservation equations for the water cooling of the fuel elements. This V&V effort was intended to confirm that the code shows good agreement between simulation and actual ACRR operations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Method development for determining the hydraulic conductivity of fractured porous media

Plausible, but unvalidated, theoretical model constructs for unsaturated hydraulic conductivity of fractured porous media are currently used in Performance Assessment (PA) modeling for cracked saltstone and concrete (Flach 2011). The Nuclear Regulatory Commission (NRC) has expressed concern about the lack of model support for these assumed Moisture Characteristic Curves (MCC) data, as noted in Requests for Additional Information (RAIs) PA-8 and SP-4 (Savannah River Remediation, LLC, 2011). The objective of this task was to advance PA model support by developing an experimental method for determining the hydraulic conductivity of fractured cementitious materials under unsaturated conditions, and to demonstrate the technique on fractured saltstone samples. The task was requested through Task Technical Request (TTR) HLW-SSF-TTR-2012-0016 and conducted in accordance with Task Technical & Quality Assurance Plan (TTQAP) SRNL-TR-2012-00090. Preliminary method development previously conducted by Kohn et al. (2012) identified transient outflow extraction as the most promising method for characterizing the unsaturated properties of fractured porous media. While the research conducted by Kohn et al. (2012) focused on fractured media analogs such as stacked glass slides, the current task focused directly on fractured saltstone. For this task, four sample types with differing fracture geometries were considered: 1) intact saltstone, 2) intact saltstone with a single saw cut, smooth surface fracture, 3) micro-fractured saltstone (induced by oven drying), and 4) micro-fractured saltstone with a single, fully-penetrating, rough-surface fracture. Each sample type was tested initially for saturated hydraulic conductivity following method ASTM D 5084 using a flexible wall permeameter. Samples were subsequently tested using the transient outflow extraction method to determine cumulative outflow as a function of time and applied pressure. Of the four sample types tested, two yielded datasets suitable for analysis (sample types 3 and 4). The intact saltstone sample (sample type 1) did not yield any measureable outflow over the pressure range of the outflow test (0-1000 cm H 2 O). This was expected because the estimated air entry pressure for intact saltstone is on the order of 100,000 cm H 2 O (Dixon et al., 2009). The intact saltstone sample with a single saw cut smooth surface fracture (sample type 2) did not produce useable data because the fracture completely drained at less than 10 cm H 2 O applied pressure. The cumulative outflow data from sample types 3 and 4 were analyzed using an inverse solution of the Richard’s equation for water flow in variably saturated porous media. This technique was implemented using the computer code Hydrus-1D (Šimunek et al., 2008) and the resulting output included the van Genuchten-Mualem water retention and relative permeability parameters and predicted saturated hydraulic conductivity (Van Genuchten, 1980; Van Genuchten et al., 1991). Estimations of relative permeability and saturated conductivity are possible because the transient response of the sample to pressure changes is recorded during the multi-step outflow extraction test. Characteristic curves were developed for sample types 3 and 4 based on the results of the transient outflow method and compared to that of intact saltstone previously reported by Dixon et al. (2009). The overall results of this study indicate that the outflow extraction method is suitable for measuring the hydraulic properties of micro-fractured porous media. The resulting cumulative outflow data can be analyzed using the computer code Hydrus-1D to generate the van Genuchten curve fitting parameters that adequately describe fracture drainage. The resulting characteristic curves are consistent with blended characteristic curves that combine the behaviors of low pressure drainage associated with fracture flow with high pressure drainage from the bulk saltstone matrix.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

EBT GAFCHROMIC{sup TM} film dosimetry in compensator-based intensity modulated radiation therapy

The electron benefit transfer (EBT) GAFCHROMIC films possess a number of features making them appropriate for high-quality dosimetry in intensity-modulated radiation therapy (IMRT). Compensators to deliver IMRT are known to change the beam-energy spectrum as well as to produce scattered photons and to contaminate electrons; therefore, the accuracy and validity of EBT-film dosimetry in compensator-based IMRT should be investigated. Percentage-depth doses and lateral-beam profiles were measured using EBT films in perpendicular orientation with respect to 6 and 18 MV photon beam energies for: (1) different thicknesses of cerrobend slab (open, 1.0, 2.0, 4.0, and 6.0 cm), field sizes (5×5, 10×10, and 20×20 cm{sup 2}), and measurement depths (D{sub max}, 5.0 and 10.0 cm); and (2) step-wedged compensator in a solid phantom. To verify results, same measurements were implemented using a 0.125 cm{sup 3} ionization chamber in a water phantom and also in Monte Carlo simulations using the Monte Carlo N-particle radiation transport computer code. The mean energy of photons was increased due to beam hardening in comparison with open fields at both 6 and 18 MV energies. For a 20×20 cm{sup 2} field size of a 6 MV photon beam and a 6.0 cm thick block, the surface dose decreased by about 12% and percentage-depth doses increased up to 3% at 30.0 cm depth, due to the beam-hardening effect induced by the block. In contrast, at 18 MV, the surface dose increased by about 8% and depth dose reduced by 3% at 30.0 cm depth. The penumbral widths (80% to 20%) increase with block thickness, field size, and beam energy. The EBT film results were in good agreement with the ionization chamber dose profiles and Monte Carlo N-particle radiation transport computer code simulation behind the step-wedged compensator. Also, there was a good agreement between the EBT-film and the treatment-planning results on the anthropomorphic phantom. The EBT films can be accurately used as a 2D dosimeter for dose verification and quality assurance of compensator-based C-IMRT.

61 RADIATION PROTECTION AND DOSIMETRY↗

Development of phenomena identification and ranking table for Westinghouse lead fast reactor’s safety

The Westinghouse Lead-cooled Fast Reactor (LFR) is a medium-size, passively safe, economic, Gen-IV nuclear reactor. An important effort within the Westinghouse LFR program is the development of the safety analysis methodology, which comprises computer code development, model development, and experimental testing. A key initial task associated with the development of the safety analysis methodology is the identification of processes and phenomena that affect the plant's capability to meet selected safety performance indicators. This is accomplished through the development of a Phenomena Identification and Ranking Table (PIRT) for selected accident scenarios which, for this specific PIRT effort, included selected postulated design basis accidents and hypothetical beyond design basis accidents in LFRs. This paper describes the role of PIRT in the development of the Westinghouse LFR safety analysis methodology and the process used in the PIRT development. Specifically, the Westinghouse LFR PIRT assessed importance of pertinent phenomena and identified gaps in their knowledge-base by evaluating current modeling capabilities and data available for validation. The ultimate goal was to provide guidance on computer code development and validation efforts and to prioritize testing to support LFR design and licensing. The key phenomena and processes that are deemed highly important for the safety performance indicators, but for which the state of knowledge is low, are presented. The testing program and analyses development are planned to address significant phenomena in the PIRT.

Lead fast reactor↗

Gas Gun Model and Comparison to Experimental Performance of Pipe Guns Operating with Light Propellant Gases and Large Cryogenic Pellets

Injection of multiple large (~10 to 30 mm diameter) shattered pellets into ITER plasmas is presently part of the scheme planned to mitigate the deleterious effects of disruptions on the vessel components. To help in the design and optimize performance of the pellet injectors for this application, a model referred to as “the gas gun simulator” has been developed and benchmarked against experimental data. The computer code simulator is a Java program that models the gas-dynamics characteristics of a single-stage gas gun. Following a stepwise approach, the code utilizes a variety of input parameters to incrementally simulate and analyze the dynamics of the gun as the projectile is launched down the barrel. Using input data, the model can calculate gun performance based on physical characteristics, such as propellant-gas and fast-valve properties, barrel geometry, and pellet mass. Although the model is fundamentally generic, the present version is configured to accommodate cryogenic pellets composed of H2, D2, Ne, Ar, and mixtures of them and light propellant gases (H2, D2, and He). The pellets are solidified in situ in pipe guns that consist of stainless steel tubes and fast-acting valves that provide the propellant gas for pellet acceleration (to speeds ~200 to 700 m/s). The pellet speed is the key parameter in determining the response time of a shattered pellet system to a plasma disruption event. The calculated speeds from the code simulations of experiments were typically in excellent agreement with the measured values. With the gas gun simulator validated for many test shots and over a wide range of physical and operating parameters, it is a valuable tool for optimization of the injector design, including the fast valve design (orifice size and volume) for any operating pressure (~40 bar expected for the ITER application) and barrel length for any pellet size (mass, diameter, and length). Key design parameters and proposed values for the pellet injectors for the ITER disruption mitigation systems are discussed.

Combs, Stephen Kirk↗

Oxidation Behavior and Property Degradation of Nuclear Graphites

During its multidecade operation in the core of nuclear reactors, graphite components are subjected to aggressive and continuous exposure to a high field of ionizing and neutron irradiation, high temperature, and various types of present and postulated chemical attacks. High density, high crystallinity polygranular synthetic graphite is unique among other materials for its extraordinary capacity of resisting and adapting to the aggression inflicted by high temperature, high energy neutron bombardment and ionizing gamma radiation. But, as a carbonaceous material, even though of very high purity, graphite is reactive towards common oxidizing agents: oxygen, carbon dioxide, water. Safe operation of HTGRs relies, among other aspects, on engineered safeguard systems for efficient and continuous protection of graphite components against oxidation. Graphite oxidation behavior was, and continues to be, an important direction of theoretical and experimental research, engineering analyses, models and simulations, and design and safety regulations. The avalanche of publications, reports, experimental data, computer codes, and regulatory documents related to oxidation behavior of nuclear graphite is now accelerating to new levels, prompted by the increased interest for nuclear energy as a clean, carbon-free energy source. Even though public’s perception of nuclear energy advantages may still be influenced by the memories of past accidents of nuclear reactors from generations II and III, the community of informed scientists and engineers, regulators and statemen knows that generation IV of nuclear reactors is designed at very high safety standards, doubled by great advances of scientific knowledge and technological progress. One of routes of these recent advances is directed at better understanding of graphite oxidation behavior, its relationship with graphite manufacturing and microstructural properties, along with the effects of various environmental factors and process variables. Together, the recent progress in manufacturing, properties characterization, and modeling of intricated physical and chemical processes that concur to the oxidation behavior led to development of powerful simulation codes able to analyze various scenarios of normal operation and hypothetical off-normal events, and thus to clearly specify the allowable parameters envelopes for the designers, constructors, and operators of current and future modular HTGRs. This review begins with an introduction on manufacturing methods, structure, and properties of nuclear graphite, including basic requirements that this specialty graphite type must satisfy for nuclear use. It continues with a chapter on environmental effects on nuclear graphite, where emphasis is placed less on irradiation and much more on oxidation phenomena, their safety implications, and the basic traits of chronic and acute oxidation by air (oxygen) and water (humidity, steam). Particular attention is placed on the three graphite grades of interest for this document (IG-110, NBG-18, PCEA). A chapter on properties degradation induced by oxidation follows, with focus on density, dimensional, and mechanical properties changes. The next chapter is intended as a brief review of various approaches used for modeling of graphite oxidation behavior. It summarizes the progress of oxidation models, from the early attempts to complex computational approaches interfaced with specialized computer codes designed for nuclear reactor simulations. Last, a list is presented of knowledge gaps where more research is needed. A short summary concludes the review.

36 MATERIALS SCIENCE↗

GEO2D - Two-Dimensional Computer Model of a Ground Source Heat Pump System

This file contains a zipped file that contains many files required to run GEO2D. GEO2D is a computer code for simulating ground source heat pump (GSHP) systems in two-dimensions. GEO2D performs a detailed finite difference simulation of the heat transfer occurring within the working fluid, the tube wall, the grout, and the ground. Both horizontal and vertical wells can be simulated with this program, but it should be noted that the vertical wall is modeled as a single tube. This program also models the heat pump in conjunction with the heat transfer occurring. GEO2D simulates the heat pump and ground loop as a system. Many results are produced by GEO2D as a function of time and position, such as heat transfer rates, temperatures and heat pump performance. On top of this information from an economic comparison between the geothermal system simulated and a comparable air heat pump systems or a comparable gas, oil or propane heating systems with a vapor compression air conditioner. The version of GEO2D in the attached file has been coupled to the DOE heating and cooling load software called ENERGYPLUS. This is a great convenience for the user because heating and cooling loads are an input to GEO2D. GEO2D is a user friendly program that uses a graphical user interface for inputs and outputs. These make entering data simple and they produce many plotted results that are easy to understand. In order to run GEO2D access to MATLAB is required. If this program is not available on your computer you can download the program MCRInstaller.exe, the 64 bit version, from the MATLAB website or from the Geothermal Data Repository. This is a free download which will enable you to run GEO2D.

15 GEOTHERMAL ENERGY↗

Sorption Modeling and Verification for Off-Gas Treatment

This project was successfully executed to provide valuable adsorption data and improve a comprehensive model developed in previous work by the authors. Data obtained were used in an integrated computer program to predict the behavior of adsorption columns. The model is supported by experimental data and has been shown to predict capture of off gas similar to that evolving during the reprocessing of nuclear waste. The computer program structure contains (a) equilibrium models of off-gases with the adsorbate; (b) mass-transfer models to describe off-gas mass transfer to a particle, diffusion through the pores of the particle, and adsorption on the active sites of the particle; and (c) incorporation of these models into fixed bed adsorption modeling, which includes advection through the bed. These models are being connected with the MOOSE (Multiphysics Object-Oriented Simulation Environment) software developed at the Idaho National Laboratory through DGOSPREY (Discontinuous Galerkin Off-gas SeParation and REcoverY) computer codes developed in this project. Experiments for iodine and water adsorption have been conducted on reduced silver mordenite (Ag0Z) for single layered particles. Adsorption apparatuses have been constructed to execute these experiments over a useful range of conditions for temperatures ranging from ambient to 250°C and water dew points ranging from -69 to 19°C. Experimental results were analyzed to determine mass transfer and diffusion of these gases into the particles and to determine which models best describe the single and binary component mass transfer and diffusion processes. The experimental results were also used to demonstrate the capabilities of the comprehensive models developed to predict single-particle adsorption and transients of the adsorption-desorption processes in fixed beds. Models for adsorption and mass transfer have been developed to mathematically describe adsorption kinetics and transport via diffusion and advection processes. These models were built on a numerical framework for solving conservation law problems in one-dimensional geometries such as spheres, cylinders, and lines. Coupled with the framework are specific models for adsorption in commercial adsorbents, such as zeolites and mordenites. Utilizing this modeling approach, the authors were able to accurately describe and predict adsorption kinetic data obtained from experiments at a variety of different temperatures and gas phase concentrations. A demonstration of how these models, and framework, can be used to simulate adsorption in fixed- bed columns is provided. The CO 2 absorption work involved modeling with supportive experimental information. A dynamic model was developed to simulate CO 2 absorption using high alkaline content water solutions. The model is based upon transient mass and energy balances for chemical species commonly present in CO 2 absorption. A computer code was developed to implement CO 2 absorption with a chemical reaction model. Experiments were conducted in a laboratory scale column to determine the model parameters. The influence of geometric parameters and operating variables on CO 2 absorption was studied over a wide range of conditions. Continuing work could employ the model to control column operation and predict the absorption behavior under various input conditions and other prescribed experimental perturbations. The value of the validated models and numerical frameworks developed in this project is that they can be used to predict the sorption behavior of off-gas evolved during the reprocessing of nuclear waste and thus reduce the cost of the experiments. They can also be used to design sorption processes based on concentration limits and flow-rates determined at the plant level.

42 ENGINEERING↗

Preliminary Development of a Nuclide Inventory Code for HTGR

Nuclide inventory calculation for a reactor core is the basis of radiation protection, shielding design and radioactive environmental impact assessment of the power plant. HTR-PM (high-temperature gas-cooled reactor pebble-bed module) under construction in China is one of the candidates for Gen-IV advanced nuclear power system.1 In the design stage of HTR-PM, KORIGEN has been utilized in the inventory calculation.2 However, the current version of KORIGEN was developed several decades ago. In order to improve the design capability of the analysis code package for HTR-PM, a new computer code for nuclide inventory calculation called NUIT (Nuclide Inventory Tool) is being developed based on the DEPTH3 code. The NUIT code tries to utilize accurate and efficient burnup solvers, incorporate well-validated and most recent nuclear data libraries, and provide user-friendly IO interface. This paper presents the preliminary work in the development of NUIT.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Coding the Computing Continuum: Fluid Function Execution in Heterogeneous Computing Environments

Advances in network technologies have greatly decreased barriers to accessing physically distributed computers. This newfound accessibility coincides with increasing hardware specialization, creating exciting new opportunities to dispatch workloads to the best resource for a specific purpose, rather than those that are closest or most easily accessible. We present Delta, a service designed to intelligently schedule function-based workloads across a distributed set of heterogeneous computing resources. Delta implements an extensible architecture in which different predictors and scheduling algorithms can be integrated to provide dynamically evolving estimates of function execution times on different resources-estimates that can be used to determine the most appropriate location for execution. We describe predictors for function runtime, data transfer time, and cold-start resource provisioning and configuration delay; dynamic learning methods that update predictor models over time; and scheduling strategies that take into account both function and endpoint information. We show that these methods can halve workload makespan when compared with a strategy that selects the fastest resource, and decrease makespan by a factor of five when compared to a round robin strategy, when deployed on a heterogeneous testbed with resources ranging from a Raspberry Pi to a GPU node in an academic cloud.

Computing continuum↗

A computer aided treatment event recognition system in radiation therapy

Purpose: To develop an automated system to safeguard radiation therapy treatments by analyzing electronic treatment records and reporting treatment events. Methods: CATERS (Computer Aided Treatment Event Recognition System) was developed to detect treatment events by retrieving and analyzing electronic treatment records. CATERS is designed to make the treatment monitoring process more efficient by automating the search of the electronic record for possible deviations from physician's intention, such as logical inconsistencies as well as aberrant treatment parameters (e.g., beam energy, dose, table position, prescription change, treatment overrides, etc). Over a 5 month period (July 2012–November 2012), physicists were assisted by the CATERS software in conducting normal weekly chart checks with the aims of (a) determining the relative frequency of particular events in the authors’ clinic and (b) incorporating these checks into the CATERS. During this study period, 491 patients were treated at the University of Iowa Hospitals and Clinics for a total of 7692 fractions. Results: All treatment records from the 5 month analysis period were evaluated using all the checks incorporated into CATERS after the training period. About 553 events were detected as being exceptions, although none of them had significant dosimetric impact on patient treatments. These events included every known event type that was discovered during the trial period. A frequency analysis of the events showed that the top three types of detected events were couch position override (3.2%), extra cone beam imaging (1.85%), and significant couch position deviation (1.31%). The significant couch deviation is defined as the number of treatments where couch vertical exceeded two times standard deviation of all couch verticals, or couch lateral/longitudinal exceeded three times standard deviation of all couch laterals and longitudinals. On average, the application takes about 1 s per patient when executed on either a desktop computer or a mobile device. Conclusions: CATERS offers an effective tool to detect and report treatment events. Automation and rapid processing enables electronic record interrogation daily, alerting the medical physicist of deviations potentially days prior to performing weekly check. The output of CATERS could also be utilized as an important input to failure mode and effects analysis.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Establishing capabilities for quantum computing and simulations for energy applications

Quantum information science (QIS) is creating potential transformative opportunities to exploit intricate quantum mechanical phenomena in new ways for obtaining and processing information to advance many areas of science and engineering. Since the National Quantum Initiative Act was signed into law in 2018, developing QIS capability and competency is one of the most urgent tasks of DOE to make sure the US win the quantum race. The QIS contains four pillars: quantum computing, quantum simulations, quantum sensing, and quantum networking. To apply QIS in energy related applications, the key is to develop the capability of quantum computing & simulation tools. In this project, we propose to develop the capability of quantum computing and simulations at NETL to target fossil energy related problems. We will install a simulator (e. g. IBM qiskit) on the NETL supercomputer to simulate the environments of quantum computer. Based on the current available quantum algorithms for quantum chemistry, we will develop quantum computing codes to perform simulation which will focus on fossil energy sector challenges, including CO2 capture & conversion, sensing, and fuel conversion. We then will seek opportunities to run our codes on real quantum computers (such as IBM-Q, google Sycamore, etc.). Through this project, the new capability of quantum computing and simulations will be established at NETL. In addition, the NETL workforce in this area will be trained ready to conduct more complicated tasks in line with NETL missions to enhance the nation’s energy foundation.

97 MATHEMATICS AND COMPUTING↗

Eikonal Corrections for Nucleus-Nucleus Reaction Cross Sections - Paper 90

The goal of this research is to modify a Fortran computer code, which uses an optical potential approximation to quantum mechanical multiple-scattering theory to compute total and reaction cross sections for nucleon-nucleus and nucleus-nucleus collisions for use in space radiation protection and shielding applications. These nuclear collision cross sections are utilized in space radiation transport codes that describe the passage of solar and galactic cosmic radiation fields through matter. In the code being modified by this work, an Eikonal approximation, in analogy with the complex index of refraction used to describe absorption in optics, is used to formulate the nuclear scattering amplitudes that describe the total and reaction cross sections in the formalism. Previous work found that the cross sections calculated with this model sometimes underestimated the experimental data. It has been noted that the Eikonal phase functions, which are used to calculate these cross sections and which contain all of the scattering information in the model, can be improved by incorporating higher order corrections In this work, a previously-developed first-order correction to the Eikonal phase function is coded in Fortran and incorporated into the optical model computer code that calculates reaction cross sections for nucleon-nucleus and nucleus-nucleus collisions at energies relevant to space radiation protection and shielding. The main thrust of this work is to test the use of this higher order correction by calculating reaction cross sections for a variety of nuclear collisions and comparing the results to experimental data. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗