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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Some Mathematical and Geophysical Considerations in Radioisotope Dating Applications

Some quality considerations for use in isotopic dating are presented to identify and correct heretofore unidentified overestimate scenarios. These include to a lesser degree the statistical interpretation issues with linear-least-squares fitting results but more importantly the isotope effect in the individual components of the isochron coefficient ratios. By taking into consideration the isotope effect (differential mass diffusion rates) when measuring isotopic ratios from very old samples, the distribution dependency in the coefficient ratios will cause a bias if isotopic diffusion rates are not identical throughout a sample. The isotope effect is that isotopes having a smaller atomic mass will diffuse faster throughout a medium than will their heavier counterparts causing concentration gradients of their ratios even when there are no contributions from radioactive decay. The application to Rb/Sr dating is evaluated and shown to result in expected age overestimates when isotopic ratios are employed to linearize the isochron. A suggested method to test for this effect is argued to require rigorous statistical analysis. An associated optimal sampling technique would involve using single-grain etching. It is also shown that the only method to fully eliminate the isotope effect is to not use isotopic ratios at all in radioisotopic dating as the physics do not require the use of isotopic ratios for geochronological dating. However, without the ratios, the data are inherently noisy.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Mathematical modeling of hepatitis C RNA replication, exosome secretion and virus release

Hepatitis C virus (HCV) causes acute hepatitis C and can lead to life-threatening complications if it becomes chronic. The HCV genome is a single plus strand of RNA. Its intracellular replication is a spatiotemporally coordinated process of RNA translation upon cell infection, RNA synthesis within a replication compartment, and virus particle production. While HCV is mainly transmitted via mature infectious virus particles, it has also been suggested that HCV-infected cells can secrete HCV RNA carrying exosomes that can infect cells in a receptor independent manner. In order to gain insight into these two routes of transmission, we developed a series of intracellular HCV replication models that include HCV RNA secretion and/or virus assembly and release. Fitting our models to in vitro data, in which cells were infected with HCV, suggests that initially most secreted HCV RNA derives from intracellular cytosolic plus-strand RNA, but subsequently secreted HCV RNA derives equally from the cytoplasm and the replication compartments. Furthermore, our model fits to the data suggest that the rate of virus assembly and release is limited by host cell resources. Including the effects of direct acting antivirals in our models, we found that in spite of decreasing intracellular HCV RNA and extracellular virus concentration, low level HCV RNA secretion may continue as long as intracellular RNA is available. This may possibly explain the presence of detectable levels of plasma HCV RNA at the end of treatment even in patients that ultimately attain a sustained virologic response.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

The effect of enrofloxacin on enteric Escherichia coli : Fitting a mathematical model to in vivo data

Antimicrobial drugs administered systemically may cause the emergence and dissemination of antimicrobial resistance among enteric bacteria. To develop logical, research-based recommendations for food animal veterinarians, we must understand how to maximize antimicrobial drug efficacy while minimizing risk of antimicrobial resistance. Our objective is to evaluate the effect of two approved dosing regimens of enrofloxacin (a single high dose or three low doses) on Escherichia coli in cattle. We look specifically at bacteria above and below the epidemiological cutoff (ECOFF), above which the bacteria are likely to have an acquired or mutational resistance to enrofloxacin. We developed a differential equation model for the antimicrobial drug concentrations in plasma and colon, and bacteria populations in the feces. The model was fit to animal data of drug concentrations in the plasma and colon obtained using ultrafiltration probes. Fecal E. coli counts and minimum inhibitory concentrations were measured for the week after receiving the antimicrobial drug. We predict that the antimicrobial susceptibility of the bacteria above the ECOFF pre-treatment strongly affects the composition of the bacteria following treatment. Faster removal of the antimicrobial drugs from the colon throughout the study leads to improved clearance of bacteria above the ECOFF in the low dose regimen. If we assume a fitness cost is associated with bacteria above the ECOFF, the increased fitness costs leads to reduction of bacteria above the ECOFF in the low dose study. These results suggest the initial E. coli susceptibility is a strong indicator of how steers respond to antimicrobial drug treatment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

Development and Utilization of mathematical Optimization in Advanced Fuel Cycle Systems Analysis

Over the past sixty years, a wide variety of nuclear power technologies have been theorized, investigated and tested to various degrees. These technologies, if properly applied, could provide a stable, long-term, economical source of CO2-free electric power. However, the recycling of nuclear fuel introduces a degree of coupling between reactor systems which must be accounted for when making long term strategic plans. This work investigates the use of a simulated annealing optimization algorithm coupled together with the VISION fuel cycle simulation model in order to identify attractive strategies from economic, evironmental, non-proliferation and waste-disposal perspectives, which each have associated an objective function. The simulated annealing optimization algorithm works by perturbing the fraction of new reactor capacity allocated to each available reactor type (using a set of heuristic rules) then evaluating the resulting deployment scenario outcomes using the VISION model and the chosen objective functions. These new scenarios, which are either accepted or rejected according the the Metropolis Criterion, are then used as the basis for further perturbations. By repeating this process several thousand times, a family of near-optimal solutions are obtained. Preliminary results from this work using a two-step, Once-through LWR to Full-recycle/FRburner deployment scenario with exponentially increasing electric demand indicate that the algorithm is capable of nding reactor deployment pro les that reduce the long-term-heat waste disposal burden relative to an initial reference scenario. Further work is under way to re ne the current results and to extend them to include the other objective functions and to examine the optimization trade-o s that exist between these di erent objectives.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

TriBITS Lifecycle Model: A Lean/Agile Software Lifecycle Model for Research-based Computational Science and Engineering and Applied Mathematical Software (V.1.0)

Software lifecycles are becoming an increasingly important issue for computational science and engineering (CSE) software. The process by which a piece of CSE software begins life as a set of research requirements and then matures into a trusted high-quality capability is both commonplace and extremely challenging. Although an implicit lifecycle is obviously being used in any effort, the challenges of this process - respecting the competing needs of research vs. production - cannot be overstated. Here we describe a proposal for a well-defined software lifecycle process based on modern Lean/Agile software engineering principles. What we propose is appropriate for many CSE software projects that are initially heavily focused on research but also are expected to eventually produce usable high-quality capabilities. The model is related to TriBITS, a build, integration and testing system, which serves as a strong foundation for this lifecycle model, and aspects of this lifecycle model are ingrained in the TriBITS system. Here, we advocate three to four phases or maturity levels that address the appropriate handling of many issues associated with the transition from research to production software. The goals of this lifecycle model are to better communicate maturity levels with customers and to help to identify and promote Software Engineering (SE) practices that will help to improve productivity and produce better software. An important collection of software in this domain is Trilinos, which is used as the motivation and the initial target for this lifecycle model. However, many other related and similar CSE (and non-CSE) software projects can also make good use of this lifecycle model, especially those that use the TriBITS system. Indeed this lifecycle process, if followed, will enable large-scale sustainable integration of many complex CSE software efforts across several institutions.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2012

Science and Engineering Alliance, Inc. (SEA) Activities to Increase Participation of Students from Underrepresented Groups in Science, Technology, Engineering and Mathematics (STEM) Programs

Using its 22 years of experience in developing the STCRP and recent success with the support of District of Columbia (DC) high school and middle school participation in the DOE Regional Science Bowl, SEA continues to strengthen and expand these activities. Considerable attention has been given over the years, to streamlining and executing all tasks associated with planning and implementing a successful program, with primary emphasis on the DOE Washington, D.C. Regional Science Bowl. With success in working with the DC high schools and middle schools, HBCUs and other MSIs, coupled with experience interacting with DOE national laboratories like Lawrence Livermore National Laboratory (LLNL), SEA provides a strong basis for adding value to the DOE’s diversity efforts. A faculty development component was added to the program.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2013

FINAL REPORT: Scalable Methods for Electronic Excitations and Optical Responses of Nanostructures: Mathematics to Algorithms to Observables

Work in nanoscience has increased substantially in recent years owing to its potential technological applications and to fundamental scientific interest. A driving force for this activity is to capitalize on new phenomena that occurs at the nanoscale. For example, the physical confinement of electronic states, i.e., quantum confinement, can dramatically alter the electronic and optical properties of matter. A prime example of this occurs for the optical properties of nanoscale crystals such as those composed of elemental silicon. Silicon in the bulk state is optically inactive due to the small size of the optical gap, which can only be accessed by indirect transitions. However, at the nanoscale, this material becomes optically active. The size of the optical gap is increased by confinement and the conservation of crystal momentum ceases to hold, resulting in the viability of indirect transitions. Our work associated with this grant has focused on developing new scalable algorithms for describing the electronic and optical properties of matter at the nanoscale such as nano structures of silicon and related semiconductor properties.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Localized Scale Coupling and New Educational Paradigms in Multiscale Mathematics and Science

One of the most challenging multi-scale simulation problems in the area of multi-phase materials is to develop effective computational techniques for the prediction of coalescence and related phenomena involving rupture of a thin liquid film due to the onset of instability driven by van der Waals or other micro-scale attractive forces. Accurate modeling of this process is critical to prediction of the outcome of milling processes for immiscible polymer blends, one of the most important routes to new advanced polymeric materials. In typical situations, the blend evolves into an "emulsion" of dispersed phase drops in a continuous matrix fluid.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Localized Scale Coupling and New Educational Paradigms in Multiscale Mathematics and Science

We have experimentally demonstrated how microscale phenomena affect suspended particle behavior on the mesoscale, and how particle group behavior on the mesoscale influences the macroscale suspension behavior. Semi-analytical and numerical methods to treat flows on different scales have been developed, and a framework to combine these scale-dependent treatment has been described.

42 ENGINEERING↗
DOE OSTI2014

Scalable methods for electronic excitations and optical responses of nanostructures: mathematics to algorithms to observables

The master project under which this work is funded had as its main objective to develop computational methods for modeling electronic excited-state and optical properties of various nanostructures. The specific goals of the computer science group were primarily to develop effective numerical algorithms in Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TDDFT). There were essentially four distinct stated objectives. The first objective was to study and develop effective numerical algorithms for solving large eigenvalue problems such as those that arise in Density Functional Theory (DFT) methods. The second objective was to explore so-called linear scaling methods or Methods that avoid diagonalization. The third was to develop effective approaches for Time-Dependent DFT (TDDFT). Our fourth and final objective was to examine effective solution strategies for other problems in electronic excitations, such as the GW/Bethe-Salpeter method, and quantum transport problems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Development of the Mathematics of Learning Curve Models for Evaluating Small Modular Reactor Economics

The cost of nuclear power is a straightforward yet complicated topic. It is straightforward in that the cost of nuclear power is a function of the cost to build the nuclear power plant, the cost to operate and maintain it, and the cost to provide fuel for it. It is complicated in that some of those costs are not necessarily known, introducing uncertainty into the analysis. For large light water reactor (LWR)-based nuclear power plants, the uncertainty is mainly contained within the cost of construction. The typical costs of operations and maintenance (O&M), as well as fuel, are well known based on the current fleet of LWRs. However, the last currently operating reactor to come online was Watts Bar 1 in May 1996; thus, the expected construction costs for gigawatt (GW)-class reactors in the United States are based on information nearly two decades old. Extrapolating construction, O&M, and fuel costs from GW-class LWRs to LWR-based small modular reactors (SMRs) introduces even more complication. The per-installed-kilowatt construction costs for SMRs are likely to be higher than those for the GW-class reactors based on the property of the economy of scale. Generally speaking, the economy of scale is the tendency for overall costs to increase slower than the overall production capacity. For power plants, this means that doubling the power production capacity would be expected to cost less than twice as much. Applying this property in the opposite direction, halving the power production capacity would be expected to cost more than half as much. This can potentially make the SMRs less competitive in the electricity market against the GW-class reactors, as well as against other power sources such as natural gas and subsidized renewables. One factor that can potentially aid the SMRs in achieving economic competitiveness is an economy of numbers, as opposed to the economy of scale, associated with learning curves. The basic concept of the learning curve is that the more a new process is repeated, the more efficient the process can be made. Assuming that efficiency directly relates to cost means that the more a new process is repeated successfully and efficiently, the less costly the process can be made. This factor ties directly into the factory fabrication and modularization aspect of the SMR paradigm—manufacturing serial, standardized, identical components for use in nuclear power plants can allow the SMR industry to use the learning curves to predict and optimize deployment costs.

small modular reactors (SMRs)↗
DOE OSTI2016

Development of Kinetics and Mathematical Models for High-Pressure Gasification of Lignite-Switchgrass Blends: Cooperative Research and Development Final Report, CRADA Number CRD-11-447

NREL will work with Participant as a subtier partner under DE-FOA-0000240 titled "Co-Production of Power, Fuels, and Chemicals via Coal/Biomass Mixtures." The goal of the project is to determine the gasification characteristics of switchgrass and lignite mixtures and develop kinetic models. NREL will utilize a pressurized thermogravimetric analyzer to measure the reactivity of chars generated in a pressurized entrained-flow reactor at Participant's facilities and to determine the evolution of gaseous species during pyrolysis of switchgrass-lignite mixtures. Mass spectrometry and Fourier-transform infrared analysis will be used to identify and quantify the gaseous species. The results of the project will aid in defining key reactive properties of mixed coal biomass fuels.

09 BIOMASS FUELS↗
DOE OSTI2015

Advancing Pre-college Science and Mathematics Education

With support from the US Department of Energy, Office of Science, Fusion Energy Sciences, and General Atomics, an educational and outreach program primarily for grades G6-G13 was developed using the basic science of plasma and fusion as the content foundation. The program period was 1994 - 2015 and provided many students and teachers unique experiences such as a visit to the DIII-D National Fusion Facility to tour the nation’s premiere tokamak facility or to interact with interesting and informative demonstration equipment and have the opportunity to increase their understanding of a wide range of scientific content, including states of matter, the electromagnetic spectrum, radiation & radioactivity, and much more. Engaging activities were developed for classroom-size audiences, many made by teachers in Build-it Day workshops. Scientist and engineer team members visited classrooms, participated in science expositions, held workshops, produced informational handouts in paper, video, online, and gaming-CD format. Participants could interact with team members from different institutions and countries and gain a wider view of the world of science and engineering educational and career possibilities. In addition, multiple science stage shows were presented to audiences of up to 700 persons in a formal theatre setting over a several day period at Science & Technology Education Partnership (STEP) Conferences. Annually repeated participation by team members in various classroom and public venue events allowed for the development of excellent interactive skills when working with students, teachers, and educational administrative staff members. We believe this program has had a positive impact in science understanding and the role of the Department of Energy in fusion research on thousands of students, teachers, and members of the general public through various interactive venues.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

Scope Complexity Options Risks Excursions (SCORE) Factor Mathematical Description.

The purpose of the Scope, Complexity, Options, Risks, Excursions (SCORE) model is to estimate the relative complexity of design variants of future warhead options, resulting in scores. SCORE factors extend this capability by providing estimates of complexity relative to a base system (i.e., all design options are normalized to one weapon system). First, a clearly defined set of scope elements for a warhead option is established. The complexity of each scope element is estimated by Subject Matter Experts (SMEs), including a level of uncertainty, relative to a specific reference system. When determining factors, complexity estimates for a scope element can be directly tied to the base system or chained together via comparable scope elements in a string of reference systems that ends with the base system. The SCORE analysis process is a growing multi-organizational Nuclear Security Enterprise (NSE) effort, under the management of the NA-12 led Enterprise Modeling and Analysis Consortium (EMAC). Historically, it has provided the data elicitation, integration, and computation needed to support the out-year Life Extension Program (LEP) cost estimates included in the Stockpile Stewardship Management Plan (SSMP).

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2017

Scope Complexity Options Risks Excursions (SCORE) Version 3.0 Mathematical Description.

The purpose of the Scope, Complexity, Options, Risks, Excursions (SCORE) model is to estimate the relative complexity of design variants of future warhead options. The results of this model allow those considering these options to understand the complexity tradeoffs between proposed warhead options. The core idea of SCORE is to divide a warhead option into a well- defined set of scope elements and then estimate the complexity of each scope element against a well understood reference system. The uncertainty associated with estimates can also be captured. A weighted summation of the relative complexity of each scope element is used to determine the total complexity of the proposed warhead option or portions of the warhead option (i.e., a National Work Breakdown Structure code). The SCORE analysis process is a growing multi-organizational Nuclear Security Enterprise (NSE) effort, under the management of the NA- 12 led Enterprise Modeling and Analysis Consortium (EMAC), that has provided the data elicitation, integration and computation needed to support the out-year Life Extension Program (LEP) cost estimates included in the Stockpile Stewardship Management Plan (SSMP).

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2019

Module 1: Review and Mathematics

This presentation gives basics of radiation emitting material using some common examples. In addition, the concepts of stay time, inverse square law, and shielding are presented.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗