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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 325 records · Page 18

All sources NASA NTRS DOE OSTI

NASA NTRS1999

Mathematical model to estimate risk of calcium-containing renal stones

BACKGROUND/AIMS: Astronauts exposed to microgravity during the course of spaceflight undergo physiologic changes that alter the urinary environment so as to increase the risk of renal stone formation. This study was undertaken to identify a simple method with which to evaluate the potential risk of renal stone development during spaceflight. METHOD: We used a large database of urinary risk factors obtained from 323 astronauts before and after spaceflight to generate a mathematical model with which to predict the urinary supersaturation of calcium stone forming salts. RESULT: This model, which involves the fewest possible analytical variables (urinary calcium, citrate, oxalate, phosphorus, and total volume), reliably and accurately predicted the urinary supersaturation of the calcium stone forming salts when compared to results obtained from a group of 6 astronauts who collected urine during flight. CONCLUSIONS: The use of this model will simplify both routine medical monitoring during spaceflight as well as the evaluation of countermeasures designed to minimize renal stone development. This model also can be used for Earth-based applications in which access to analytical resources is limited.

NASA Center JSC↗

DOE OSTI2018

Mathematical modeling of a proton-conducting solid oxide fuel cell with current leakage

Here, a framework of charge transports in proton-conducting solid oxide fuel cells (H-SOFCs) with considering current leakage is developed by assuming four electrode reactions. Current leakage happens when electron holes pass through the electrolyte and combine with electrons at the anode side. An analytical solution of leakage currents is proposed depending on the Nernst-Planck equation. On the basis of the analysis expression, a mathematical model of H-SOFCs is proposed, which can provide the information about current-voltage characteristics, leakage current density, Faraday and energy efficiencies. Moreover, H-SOFCs with the BaZr 0.8 Y 0.2 O 3 electrolyte are fabricated and tested, and the proposed model well reproduces the experimental data. The simulation results indicate that current leakage primarily affects the H-SOFC performance when the output voltage is close to the OCV. Both Faraday efficiencies and energy efficiencies decrease with increasing operating temperatures due to the existence of current leakage.

25 ENERGY STORAGE↗

DOE OSTI2014

Experimental Investigation and Mathematical Modeling of Cold Cap Behavior in High-Level-Waste Glass Melter

The cold cap is a layer of reacting melter feed floating on the surface of molten glass in a glass-melting furnace. The cold cap consists of two distinct portions, of which the upper allows the reaction gases to escape through open pores, whereas the lower portion traps the gases within the continuous glass-forming melt, creating foam. The temperature span over the cold cap is ~1000 K. Data needed to simulate the cold cap mathematically include the kinetics of multiple reactions, reaction enthalpies, heat capacity, density, porosity, and heat conductivity as functions of both the temperature and the rate of heating. These data were produced via crucible experiments. The mathematical model has been completed. It relates the cold cap thickness, the rate of melting, the temperature field, and cold cap structure (foaming, dissolution of quartz particles, and formation and subsequent dissolution of crystalline phases, such as spinel) to the cold cap bottom temperature, the fraction of heat flow to the upper cold cap surface, the melt foaminess, and the chemical and physical nature of melter feed materials. To verify the model, cold caps were produced in a laboratory-scale melter and their structure is currently investigated.

Hrma, Pavel R.↗

NASA NTRS1985

Space-flight simulations of calcium metabolism using a mathematical model of calcium regulation

The results of a series of simulation studies of calcium matabolic changes which have been recorded during human exposure to bed rest and space flight are presented. Space flight and bed rest data demonstrate losses of total body calcium during exposure to hypogravic environments. These losses are evidenced by higher than normal rates of urine calcium excretion and by negative calcium balances. In addition, intestinal absorption rates and bone mineral content are assumed to decrease. The bed rest and space flight simulations were executed on a mathematical model of the calcium metabolic system. The purpose of the simulations is to theoretically test hypotheses and predict system responses which are occurring during given experimental stresses. In this case, hypogravity occurs through the comparison of simulation and experimental data and through the analysis of model structure and system responses. The model reliably simulates the responses of selected bed rest and space flight parameters. When experimental data are available, the simulated skeletal responses and regulatory factors involved in the responses agree with space flight data collected on rodents. In addition, areas within the model that need improvement are identified.

Brand, S. N.↗

NASA NTRS1985

Predictions of cardiovascular responses during STS reentry using mathematical models

The physiological adaptation to weightless exposure includes cardiovascular deconditioning arising in part from a loss of total circulating blood volume and resulting in a reduction of orthostatic tolerance. The crew of the Shuttle orbiter are less tolerant to acceleration forces in the head-to-foot direction during the reentry phase of the flight at a time they must function at a high level of performance. The factors that contribute to orthostatic intolerance during and following reentry and to predict the likelihood of impaired crew performance are evaluated. A computer simulation approach employing a mathematical model of the cardiovascular system is employed. It is shown that depending on the severity of blood volume loss, the reentry acceleration stress may be detrimental to physiologic function and may place the physiologic status of the crew near the borderline of some type of impairment. They are in agreement with conclusions from early ground-based experiments and from observations of early Shuttle flights.

Leonard, J. I.↗

NASA NTRS1991

Mathematical modeling of acute and chronic cardiovascular changes during Extended Duration Orbiter (EDO) flights

The purpose of NASA's Extended Duration Orbiter program is a gradual extension of the capabilities of the Space Shuttle Orbiter beyond its current 7-10 day limit on mission duration, as warranted by deepening understanding of the long-term physiological effects of weightlessness. Attention is being given to the cardiovascular problem of orthostatic tolerance loss due to its adverse effects on crew performance and health during reentry and initial readaptation to earth gravity. An account is given of the results of the application of proven mathematical models of circulatory and cardiovascular systems under microgravity conditions.

White, Ronald J.↗

NASA NTRS1991

Mathematical modeling of control subsystems for CELSS: Application to diet

The dynamic control of a Closed Ecological Life Support System (CELSS) in a closed space habitat is of critical importance. The development of a practical method of control is also a necessary step for the selection and design of realistic subsystems and processors for a CELSS. Diet is one of the dynamic factors that strongly influences, and is influenced, by the operational states of all major CELSS subsystems. The problems of design and maintenance of a stable diet must be obtained from well characterized expert subsystems. The general description of a mathematical model that forms the basis of an expert control program for a CELSS is described. The formulation is expressed in terms of a complete set of time dependent canonical variables. System representation is dynamic and includes time dependent storage buffers. The details of the algorithm are described. The steady state results of the application of the method for representative diets made from wheat, potato, and soybean are presented.

Waleh, Ahmad↗

DOE OSTI2014

Effect of Antigen Shedding on Targeted Delivery of Immunotoxins in Solid Tumors from a Mathematical Model

Most cancer-specific antigens used as targets of antibody-drug conjugates and immunotoxins are shed from the cell surface (Zhang & Pastan (2008) Clin. Cancer Res. 14: 7981-7986), although at widely varying rates and by different mechanisms (Dello Sbarba & Rovida (2002) Biol. Chem. 383: 69–83). Why many cancer-specific antigens are shed and how the shedding affects delivery efficiency of antibody-based protein drugs are poorly understood questions at present. Before a detailed numerical study, it was assumed that antigen shedding would reduce the efficacy of antibody-drug conjugates and immunotoxins. However, our previous study using a comprehensive mathematical model showed that antigen shedding can significantly improve the efficacy of the mesothelin-binding immunotoxin, SS1P (anti-mesothelin-Fv-PE38), and suggested that receptor shedding can be a general mechanism for enhancing the effect of inter-cellular signaling molecules. Here, we improved this model and applied it to both SS1P and another recombinant immunotoxin, LMB-2, which targets CD25. We show that the effect of antigen shedding is influenced by a number of factors including the number of antigen molecules on the cell surface and the endocytosis rate. The high shedding rate of mesothelin is beneficial for SS1P, for which the antigen is large in number and endocytosed rapidly. On the other hand, the slow shedding of CD25 is beneficial for LMB-2, for which the antigen is small in number and endocytosed slowly.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1985

A systems analysis of the erythropoietic responses to weightlessness. Volume 1: Mathematical model simulations of the erythropoietic responses to weightlessness

Theoretical responses to weightlessness are summarized. The studies include development and validation of a model of erythropoiesis regulation, analysis of the behavior of erythropoiesis under a variety of conditions, simulations of bed rest and space flight, and an evaluation of ground-based animal studies which were conducted as analogs of zero-g. A review of all relevant space flight findings and a set of testable hypotheses which attempt to explain how red cell mass decreases in space flight are presented. An additional document describes details of the mathematical model used in these studies.

Leonard, J. I.↗

DOE OSTI2018

A mathematical model to systematically align superconducting radio frequency cavities employing the serial robot kinematic theory

In Superconducting Radio Frequency (SRF) cryomodules, precise alignment of cavities is necessary to ensure high beam quality and to increase the overall energetic efficiency. In the SSR1 (Single Spoke Resonator 1) cryomodule, the cavities are aligned using a system of seven screws which allows to control five Degree of Freedoms (DOFs). The relation between the rotation of each screw and the movement of the cavity is non-linear, thus the aligning process, currently based on a trial-and-error procedure, can be time consuming and affected by human error. In this paper the design of an alignment mathematical model, based on the serial robot kinematic, is described and tested on a SSR1 cavity. Furthermore, the goal of the proposed model is to give a step by step operational procedure that bring the SSR1 cavity to a desired location reducing the uncertainties related to the current operator-driven alignment process.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

(Invited) Continuum Mathematical Modeling of Water Electrolysis: A Tutorial

Widespread use of hydrogen energy is contingent on the development of reliable and economical sources of hydrogen. Electrolysis from renewably-derived low-carbon electricity is a potentially viable method of hydrogen generation. Prime among the electrolysis technologies are those utilizing ion-conducting polymers (ionomers) including proton-exchange-membrane water electrolyzer (PEMWE). However, these technologies need to exhibit increased efficiency, performance, and durability to become commercially viable. Like most electrochemical devices, PEMWEs involve multiple components (e.g., catalyst, ionomer, transport layers, membrane, plates) and multiple phases, with phenomena occurring across different time and length scales. Furthermore, it is difficult to experimentally probe many of the species and phenomena during operation. Thus, mathematical modeling at the continuum level has been an invaluable aid in exploring, understanding, and optimizing PEMWE cell and components. Furthermore, this is especially true in the highly coupled and complex physics and chemistries that occur with the membrane-electrode assembly (MEA). The physics in a typical volume-averaged non-isothermal model include multiphase transport in porous media, concentrated-solution theory, Ohm's Law, and Butler-Volmer kinetics, and ion, gas, and water transport in the ionomer.

Dizon, Arthur↗

NASA NTRS1971

Development of mathematical models of environmental physiology

Selected articles concerned with mathematical or simulation models of human thermoregulation are presented. The articles presented include: (1) development and use of simulation models in medicine, (2) model of cardio-vascular adjustments during exercise, (3) effective temperature scale based on simple model of human physiological regulatory response, (4) behavioral approach to thermoregulatory set point during exercise, and (5) importance of skin temperature in sweat regulation.

Stolwijk, J. A. J.↗

DOE OSTI2020

Mathematical Modeling of Hydroxide-Exchange-Membrane Water Electrolyzer

Water electrolyzers can transform intermittent renewable energy like solar energy and wind energy into the chemical energy of hydrogen with zero greenhouse-gas emissions. The hydroxide-exchange membrane electrolyzer (HEME) combines the capability to produce pressurized hydrogen with the advantage of being able to use low or non-platinum group metal (PGM) electrocatalysts in the alkaline environment.1 Hydroxide salts, for example, KOH, are added to the HEME water feed on both anode and cathode to improve its performance. However, the specific mechanism of performance improvement still needs to be further understood. In addition, at high current densities, bubble evolution can result in mass-transport limitations, a less well studied phenomena. Mathematical modeling is ideal to explore these issues as it is cost and time efficient and can deconvolute the physics, processes, and observed phenomena and study the applied-voltage breakdown. In this work, we extend our previously developed 1D two-phase continuum model2 to study the varies processes in the HEME and provide insights on performance optimizations. First, the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) kinetics at different hydroxide concentrations have been studied by rotating disk electrodes (RDE) and implemented in the model. Then, the model is calibrated and validated against experimental HEME polarization curves for different KOH concentrations as a liquid electrolyte. The model clearly shows a performance increase with increasing KOH concentrations, which is consistent with the experimental results. The reduced ohmic resistance and increased electrochemical active surface area (ECSA) are the two main reasons for performance increase. The large amount of hydroxide in the liquid electrolyte not only helps to distribute the reactant hydroxide throughout the catalyst layer (CL), which reduces ohmic loss, but also enables reaction at the interface between the liquid electrolyte and electrocatalyst, which increases the ECSA. Applied-voltage breakdown demonstrates that the electrolyzer performance is dominated by anode kinetics and ohmic loss. A comparison with the DI water feed shows a more uniform current distribution in the anode CL when KOH is added, which indicates a higher utilization of the CL. Second, we present modeling on the effects of bubble coverage. As gas evolves, part of the ECSA is minimized due to bubble coverage. To account for this effect, an empirical relationship between the fractional bubble coverage and the current density is implemented in the model.3 The model shows this bubble coverage effect is more pronounced at large current densities with DI water feed. Acknowledgements This work was funded under the HydroGEN Consortium by the Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office, of the U. S. Department of Energy under contract number DE-AC02-05CH11231. References R. Abbasi, B. P. Setzler, S. Lin, J. Wang, Y. Zhao, H. Xu, B. Pivovar, B. Tian, X. Chen, G. Wu and Y. Yan, 31, 1805876 (2019). L. N. Stanislaw, M. R. Gerhardt and A. Z. Weber, ECS Transactions, 92, 767 (2019). H. Vogt and R. J. Balzer, Electrochimica Acta, 50, 2073 (2005).

Liu, Jiangjin↗

DOE OSTI2018

Special Issue “Mathematical Modeling of Viral Infections”

How an infection will progress in the body is dependent on myriad factors: the rate of spread of the agent, the immune response, what treatment may be applied, .... Clinically following the progression of the disease is limited to snapshots at discrete time points (longitudinally in an individual or in an in vitro/animal model if that is available, but most often from cross-sectional data over cohorts of individuals), and in many cases the data obtained are from a body compartment that is not the site of replication of the disease. We then infer disease progression by putting these discrete data together based on our biological knowledge of the systems involved. However, based on these snapshots, it is not straightforward to work out important disease properties, such as the rate of progression, pathogenicity, and treatment and immune response effects. Mathematical modelling provides a scientifically sound, reproducible method to describe the underlying dynamics that produce these data, as well as a means to investigate new scenarios, such as the effect of a new drug. Its impact has been demonstrated on a number of diseases, for example, contributing to a better understanding of the speed with which human immunodeficiency virus (HIV) replicates [1,2], the dynamics of different drug classes for HIV [3], the main mode of action of interferon in hepatitis C virus (HCV) [4], the effects of direct-acting antivirals in HCV [5], potential effects of the immune response [6], and many others [7–11].

Murray, John↗

DOE OSTI2022

Minimum reflux calculation for multicomponent distillation in multi‐feed, multi‐product columns: Mathematical model

Abstract Multi‐feed, multi‐product distillation columns are ubiquitous in multicomponent distillation systems. The minimum reflux ratio of a distillation column is directly related to its energy consumption and capital cost. Thus, it is a key parameter for distillation systems design, operation, and comparison. In this series, we present the first accurate shortcut based algorithmic method to determine the minimum reflux condition for any general multi‐feed, multi‐product (MFMP) distillation column separating any ideal multicomponent mixture. The classic McCabe‐Thiele or Underwood method is a special case of this general approach. Compared with existing techniques, this method does not involve any rigorous tray‐by‐tray calculation, nor does it require guessing of key components. In this first part of the series, we present the mathematical model for a general MFMP column, derive constraints for feasible separation and minimum reflux condition, discuss their geometric interpretations, and present an illustrative example to demonstrate the effectiveness of our approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Mathematical modelling for the drying method and smoothing drying rate using cubic spline for seaweed Kappaphycus Striatum variety Durian in a solar dryer

The solar drying experiment of seaweed using Green V-Roof Hybrid Solar Drier (GVRHSD) was conducted in Semporna, Sabah under the metrological condition in Malaysia. Drying of sample seaweed in GVRHSD reduced the moisture content from about 93.4% to 8.2% in 4 days at average solar radiation of about 600W/m{sup 2} and mass flow rate about 0.5 kg/s. Generally the plots of drying rate need more smoothing compared moisture content data. Special cares is needed at low drying rates and moisture contents. It is shown the cubic spline (CS) have been found to be effective for moisture-time curves. The idea of this method consists of an approximation of data by a CS regression having first and second derivatives. The analytical differentiation of the spline regression permits the determination of instantaneous rate. The method of minimization of the functional of average risk was used successfully to solve the problem. This method permits to obtain the instantaneous rate to be obtained directly from the experimental data. The drying kinetics was fitted with six published exponential thin layer drying models. The models were fitted using the coefficient of determination (R{sup 2}), and root mean square error (RMSE). The modeling of models using raw data tested with the possible of exponential drying method. The result showed that the model from Two Term was found to be the best models describe the drying behavior. Besides that, the drying rate smoothed using CS shows to be effective method for moisture-time curves good estimators as well as for the missing moisture content data of seaweed Kappaphycus Striatum Variety Durian in Solar Dryer under the condition tested.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Mathematical modeling of gas desorption from a metal–organic supercontainer cavity filled with stored N 2 gas at critical limits

Metal–organic supercontainer (MOSC) molecules are ideal candidates for gas storage applications due to their construction with customizable ligands and tunable cavity and window sizes, which are found to be elastic in nature. Force field molecular dynamics (MD) are used to evaluate the utilization of MOSCs as nanoporous structures for gas storage. A MOSC, with nitrogen gas molecules filling the cavity, progresses through MD and releases gas molecules by applying temperature to the MOSC. It is the MOSC's elasticity which is responsible for the desorption of guests at elevated temperatures. Data obtained from MD serves as a guide for the derivation of analytical equations that can be used to describe and explain the mechanism of gas desorption from within the cavity. Mathematical modeling of gas desorption from the center cavity can provide a method of predicting MOSC behavior for a broader range of pressures and temperatures, which is challenging for direct atomistic modeling. The utilization of MD can provide data for a wide variety of properties and processes in various materials under different conditions for a broad range of technology-related applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Mathematical modeling of plus-strand RNA virus replication to identify broad-spectrum antiviral treatment strategies

Plus-strand RNA viruses are the largest group of viruses. Many are human pathogens that inflict a socio-economic burden. Interestingly, plus-strand RNA viruses share remarkable similarities in their replication. A hallmark of plus-strand RNA viruses is the remodeling of intracellular membranes to establish replication organelles (so-called “replication factories”), which provide a protected environment for the replicase complex, consisting of the viral genome and proteins necessary for viral RNA synthesis. In the current study, we investigate pan-viral similarities and virus-specific differences in the life cycle of this highly relevant group of viruses. We first measured the kinetics of viral RNA, viral protein, and infectious virus particle production of hepatitis C virus (HCV), dengue virus (DENV), and coxsackievirus B3 (CVB3) in the immuno-compromised Huh7 cell line and thus without perturbations by an intrinsic immune response. Based on these measurements, we developed a detailed mathematical model of the replication of HCV, DENV, and CVB3 and showed that only small virus-specific changes in the model were necessary to describe the in vitro dynamics of the different viruses. Our model correctly predicted virus-specific mechanisms such as host cell translation shut off and different kinetics of replication organelles. Further, our model suggests that the ability to suppress or shut down host cell mRNA translation may be a key factor for in vitro replication efficiency, which may determine acute self-limited or chronic infection. We further analyzed potential broad-spectrum antiviral treatment options in silico and found that targeting viral RNA translation, such as polyprotein cleavage and viral RNA synthesis, may be the most promising drug targets for all plus-strand RNA viruses. Moreover, we found that targeting only the formation of replicase complexes did not stop the in vitro viral replication early in infection, while inhibiting intracellular trafficking processes may even lead to amplified viral growth.

59 BASIC BIOLOGICAL SCIENCES↗