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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 1,693 records · Page 94

Theoretical modeling of hepatitis C acute infection in liver-humanized mice support pre-clinical assessment of candidate viruses for controlled-human-infection studies

Designing and carrying out a controlled human infection (CHI) model for hepatitis C virus (HCV) is critical for vaccine development. However, key considerations for a CHI model protocol include understanding of the earliest viral-host kinetic events during the acute phase and susceptibility of the viral isolate under consideration for use in the CHI model to antiviral treatment before any infections in human volunteers can take place. Humanized mouse models lack adaptive immune responses but provide a unique opportunity to obtain quantitative understanding of early HCV kinetics and develop mathematical models to further understand viral and innate immune response dynamics during acute HCV infection. We show that the models reproduce the measured HCV kinetics in humanized mice, which are consistent with early acute HCV-host dynamics in immunocompetent chimpanzees. Our findings suggest that humanized mice are well-suited to support development of a CHI model. In-silico and in-vivo modeling estimates provide a starting point to characterize candidate viruses for testing in CHI model studies.

Agent-based modeling↗

Modeling Disorder in Pyrochlores and Other Anion-Deficient Fluorite Structural Derivative Oxides

Their very flexible chemistry gives oxide materials a richness in functionality and wide technological application. A specific group of oxides that have a structure related to fluorite but with less oxygen, termed anion-deficient fluorite structural derivatives and with pyrochlores being the most notable example, has been shown to exhibit a diversity of useful properties. For example, the possibility to undergo a transition from an ordered to disordered state allows these oxides to have high radiation tolerance. Atomistic-scale calculations in the form of molecular dynamics (MD) and density functional theory (DFT) have been extensively used to understand what drives this order/disorder transition. Here we give a brief overview of how atomistic-scale calculations are utilized in modeling disorder in pyrochlores and other anion-deficient fluorite structural derivatives. We discuss the modeling process from simple point defects to completely disordered structures, the dynamics during the disordering process, and the use of mathematical models to generate ordered solid-solution configurations. We also attempt to identify the challenges in modeling short range order and discuss future directions to more comprehensive models of the disordered structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of the injection of a heated turbulent jet into a cross flow

The development of a theoretical model is investigated of the incompressible jet injection process. The discharge of a turbulent jet into a cross flow was mathematically modeled by using an integral method which accounts for natural fluid mechanisms such as turbulence, entrainment, buoyancy, and heat transfer. The analytical results are supported by experimental data and demonstrate the usefulness of the theory for estimating the trajectory and flow properties of the jet for a variety of injection conditions. The capability of predicting jet flow properties, as well as two- and three-dimensional jet paths, was enhanced by obtaining the jet cross-sectional area during the solution of the conservation equations. Realistic estimates of temperature in the jet fluid were acquired by accounting for heat losses in the jet flow due to forced convection and to entrainment of free-stream fluid into the jet.

Campbell, J. F.↗

Modeling the fundamental characteristics and processes of the spacecraft functioning

The fundamental aspects of modeling of spacecraft characteristics by using computing means are considered. Particular attention is devoted to the design studies, the description of physical appearance of the spacecraft, and simulated modeling of spacecraft systems. The fundamental questions of organizing the on-the-ground spacecraft testing and the methods of mathematical modeling were presented.

Bazhenov, V. I.↗

The solar simulation test of the ITALSAT thermal structural model

The ITALSAT structural/thermal model (STM) was submitted to a solar simulation test in order to verify the spacecraft thermal design and the thermal mathematical model which will be used to predict the on orbit temperatures. The STM was representative of the flight model in terms of configuration, structures, appendages and thermal hardware; dissipating dummy units were used to simulate the electronic units. The test consisted of the main phases: on station (beginning of life), on station (end of life), and transfer orbit. Preliminary results indicate that the test performances were satisfactory. The spacecraft measured temperatures were up to 15 degrees higher than the predicted ones. This imposes a careful correlation analysis in order to have reliable flight temperature predictions.

Giommi, M.↗

Software For Depiction Of Three-Dimensional Objects

HME (Hierarchical Modeling Environment) is three-dimensional computer-graphics software system designed to give user complete access to total hierarchical mathematical model. Enables user to build, manipulate, and display hierarchical three-dimensional objects dynamically. Also includes created polygons in hierarchy. Establishes and edits proper coordination of eye points, sources of light, and connectivity of model necessary for accurate depiction of model. Written in C language.

Taylor, Frank↗

Synchronization Of Parallel Discrete Event Simulations

Adaptive, parallel, discrete-event-simulation-synchronization algorithm, Breathing Time Buckets, developed in Synchronous Parallel Environment for Emulation and Discrete Event Simulation (SPEEDES) operating system. Algorithm allows parallel simulations to process events optimistically in fluctuating time cycles that naturally adapt while simulation in progress. Combines best of optimistic and conservative synchronization strategies while avoiding major disadvantages. Algorithm processes events optimistically in time cycles adapting while simulation in progress. Well suited for modeling communication networks, for large-scale war games, for simulated flights of aircraft, for simulations of computer equipment, for mathematical modeling, for interactive engineering simulations, and for depictions of flows of information.

Steinman, Jeffrey S.↗

Predicting Fractures In Fiber/Matrix Composites

NASA technical memorandum discusses status of emerging methodology of computational simulation of fractures in fiber/matrix composite structural components. Part of methodology consists of step-by-step procedures to simulate fractures in individual and mixed models in variety of generic composite-material components. Another part of methodology embodied in computer program CODSTRAN, which incorporates mathematical models of mechanical properties of composites and of fracture mechanics. Authors assert methodology ready for widespread application.

Chamis, C. C.↗

Inner loop flight control for the High-Speed Civil Transport

High-speed aerospace vehicles which employ high strength, light weight, yet deformable materials may exhibit significant interaction between the rigid-body and vibrational dynamics. Preliminary High-Speed Civil Transport (HSCT) configurations are a prime example. Traditionally, separate control systems have been used to augment the rigid-body and vibrational dynamics. In the HSCT arena, the highly coupled motions may not allow this design freedom. The research activity addresses two specific issues associated with the design and development of an integrated flight control system (FCS) for HSCT configurations, which are discussed next. The HSCT is expected to have a short period instability at subsonic speeds. Flight vehicles with this characteristic (i.e., F-16, F-22, X-29, Space Shuttle) are stabilized with what is called a superaugmented pitch rate loop. One concern is 'Will this stability augmentation logic work for a HSCT?' Studies show that an idealized pitch rate design would be acceptable, but is not realistic. Investigations using a contaminated pitch rate design reveal serious hurdles to overcome in the FCS design. Mounting location for the pitch rate sensor is critical. Results indicate a forward location leads to destabilizing pick-up of aeroelastic modes, while aft locations lead to undesirable coupling of the dominate pitch mode with the first aeroelastic mode. Intermediate locations for the sensor may not be acceptable. The source of the problem is the presence of low frequency aeroelastic modes in HSCT configurations, which are not present in vehicles currently using the superaugmented logic. To say the least, a conventional superaugmented pitch rate loop strategy may have undesirable characteristics. An unconventional strategy, which attempts to eliminate the above deficiencies by blending several pitch rate signals, indicates an improvement in the FCS architecture feasibility, but is still lacking in some respects. The HSCT configuration does not have aerodynamic surfaces in the vicinity of the nose (i.e., no canard or vane). A second concern is 'Can the fuselage bending/torsion aeroelastic modes be effectively augmented without sufficient control input near the vehicle nose?' The superaugmented FCS results above may be suggesting the necessity of a secondary feedback loop to achieve an acceptable integrated FCS. Preliminary analysis of HSCT aeroelastic mode shapes indicate the use of existing wing leading edge devices as a second control input may be lacking in control authority for the rigid-body attitude and aeroelastic modes. An effort is underway to incorporate generic wing leading edge devices and canards into a generic HSCT model for the purpose of assessing additional control authority and it's use in candidate FCS designs. A generic HSCT mathematical model was necessary for the studies above. A HSCT category model is available in NASA-CR-172201. This model describes the linear, longitudinal dynamics about the following flight condition: ascent, W = 730,000 lbs, h = 6,500 ft, M = 0.6. The model incorporates the full rigid-body variable set, as well as eighteen aeroelastic modes. Elevator deflection serves as the control input. Modifications to the model include the incorporation of relaxed static stability (i.e., static margin from -7.3% to +10%) and additional control inputs.

Newman, Brett A.↗

Robust Online Sequential RVFLNs for Data Modeling of Dynamic Time-Varying Systems with Application of an Ironmaking Blast Furnace

In a world where the increasing complexity of modern industrial processes brings difficulties for accurate mathematical modeling, taking advantage of data has become an efficient solution to complex dynamic process modeling issue. In this paper, we develop a novel robust online sequential version of random vector functional-link networks (RVFLNs) for data-driven modeling of dynamic time-varying system and applied it in a blast furnace (BF) ironmaking process. First, to overcome the time-varying dynamics of process and to enable the RVFLNs to learn online with avoiding data saturation, an improved online sequential version of RVFLNs (OS-RFVLNs) is first presented by online sequential learning with forgetting factor. This improved OS-RVFLNs algorithm is not only suitable for the real-time and large data transfer situation, but also can adjust the sensitivity of the algorithm to different samples with the help of the introduced forgetting factor. Second, since the output weights of the improved OS-RVFLNs as well as other RVFLNs algorithms are obtained by the least squares approach, a robustness problem may occur when the training dataset is contaminated with various outliers. To solve this problem, a Cauchy distribution weighted M-estimator is introduced to improve the robustness of the improved OS- RVFLNs. For this proposed robust OS-RVFLNs (R-OS- RVFLNs), since the weights of different outlier data are properly determined by the Cauchy distribution function, their corresponding contribution on modeling can be properly distinguished. Thus robust and better modeling results can be achieved. Experiments using actual industrial data of BF ironmaking process and comparative studies have demonstrated that the proposed method produces a better estimation accuracy and stronger robustness than other methods.

Blast furnace (BF), Modelling, Dynamic systems↗

(Invited) Modeling Electrolyzers: Exploring the Applied Voltage Breakdown

To commercialize successfully polymer-electrolyte electrolyzers and optimize their performance, one requires a detailed understanding of the underlying physics and phenomena. Mathematical modeling is ideally suited to explore such intricacies. In this Tutorial, the modeling equations and approaches towards both proton- and hydroxide-conducting polymer electrolyzers will be detailed. This includes the introduction of the applied voltage breakdown that separates the overall polarization curve into its constitutive parts such that the limiting mechanisms can be ascertained. Throughout, different case studies will be explored including impacts of bubble generation, liquid versus vapor feed, and pH changes due to carbonate and hydroxide solution feeds. A key focus of the Tutorial will be in exploring and describing the various transport and competing phenomena within the electrolyzer cell.

42 ENGINEERING↗

Model verification of large structural systems

A methodology was formulated, and a general computer code implemented for processing sinusoidal vibration test data to simultaneously make adjustments to a prior mathematical model of a large structural system, and resolve measured response data to obtain a set of orthogonal modes representative of the test model. The derivation of estimator equations is shown along with example problems. A method for improving the prior analytic model is included.

Lee, L. T.↗

Low order equivalent models of highly augmented aircraft determined from flight data using maximum likelihood estimation

This paper presents the results of a study of the feasibility of using low order equivalent mathematical models of a highly augmented aircraft, the F-8 digital fly-by-wire (DFBW), for flying qualities research. Increasingly complex models were formulated and evaluated using flight data and maximum likelihood estimation techniques. The aircraft actuator was modeled alone first. Next the equivalent derivatives were used to model the longitudinal unaugmented F-8 DFBW aircraft dynamics. The most complex model incorporated a pure time shift of the pilot input, a first order lag, and the basic longitudinal airframe model. This same model was then implemented for the F-8 DFBW aircraft in a highly augmented mode. Excellent matching of the dynamics resulted for this model, indicating that low order equivalent models which are good representations of the highly augmented F-8 DFBW aircraft can be formulated with these methods.

Shafer, M. F.↗

Modeling Non-homologous End Joining

Non-homologous end joining (NHEJ) is the dominant DNA double strand break (DSB) repair pathway and involves several NHEJ proteins such as Ku, DNA-PKcs, XRCC4, Ligase IV and so on. Once DSBs are generated, Ku is first recruited to the DNA end, followed by other NHEJ proteins for DNA end processing and ligation. Because of the direct ligation of break ends without the need for a homologous template, NHEJ turns out to be an error-prone but efficient repair pathway. Some mechanisms have been proposed of how the efficiency of NHEJ repair is affected. The type of DNA damage is an important factor of NHEJ repair. For instance, the length of DNA fragment may determine the recruitment efficiency of NHEJ protein such as Ku [1], or the complexity of the DNA breaks [2] is accounted for the choice of NHEJ proteins and subpathway of NHEJ repair. On the other hand, the chromatin structure also plays a role of the accessibility of NHEJ protein to the DNA damage site. In this talk, some mathematical models of NHEJ, that consist of series of biochemical reactions complying with the laws of chemical reaction (e.g. mass action, etc.), will be introduced. By mathematical and numerical analysis and parameter estimation, the models are able to capture the qualitative biological features and show good agreement with experimental data. As conclusions, from the viewpoint of modeling, how the NHEJ proteins are recruited will be first discussed for connection between the classical sequential model [4] and recently proposed two-phase model [5]. Then how the NHEJ repair pathway is affected, by the length of DNA fragment [6], the complexity of DNA damage [7] and the chromatin structure [8], will be addressed

Li, Yongfeng↗

Component-wise reduced order model lattice-type structure design

Lattice-type structures can provide a combination of stiffness with light weight that is desirable in a variety of applications. Design optimization of these structures must rely on approximations of the governing physics to render solution of a mathematical model feasible. In this paper, we propose a topology optimization (TO) formulation that approximates the governing physics using component-wise reduced order modeling as introduced in Huynh et al. (2013); Eftang and Patera (2013), which can reduce solution time by multiple orders of magnitude over a full-order finite element model while providing a relative error in the solution of 1%. In addition, the offline training data set from such component-wise models is reusable, allowing its application to many design problems for only the cost of a single offline training phase, and the component-wise method is nearly embarrassingly parallel. We also show how the parameterization chosen in our optimization allows a simplification of the component-wise reduced order model (CWROM) not noted in previous literature, for further speedup of the optimization process. Furthermore, the sensitivity of the compliance with respect to the particular parameterization is derived solely at the component level. In numerical examples, we demonstrate a 1000x speedup over a full-order FEM model with relative error of 1% and show minimum compliance designs for two different cantilever beam examples, one smaller and one larger. Finally, error bounds for the displacement field, compliance, and compliance sensitivity of the CWROM are derived.

97 MATHEMATICS AND COMPUTING↗

Estimating reaction parameters in mechanism-enabled population balance models of nanoparticle size distributions: A Bayesian inverse problem approach

In order to quantitatively predict nano- as well as other particle-size distributions, one needs to have both a mathematical model and estimates of the parameters that appear in these models. Here, we show how one can use Bayesian inversion to obtain statistical estimates for the parameters that appear in recently derived mechanism-enabled population balance models (ME-PBM) of nanoparticle growth. The Bayesian approach addresses the question of “how well do we know our parameters, along with their uncertainties?.” The results reveal that Bayesian inversion statistical analysis on an example, prototype $\mathrm{lr(0)_n}$ nanoparticle formation system allows one to estimate not just the most likely rate constants and other parameter values, but also their SDs, confidence intervals, and other statistical information. Moreover, knowing the reliability of the mechanistic model's parameters in turn helps inform one about the reliability of the proposed mechanism, as well as the reliability of its predictions. Importantly, the paper can also be seen as a tutorial with the additional goal of achieving a “Gold Standard” Bayesian inversion ME-PBM benchmark that others can use as a control to check their own use of this methodology for other systems of interest throughout nature. Overall, the results provide strong support for the hypothesis that there is substantial value in using a Bayesian inversion methodology for parameter estimation in particle formation systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrative Circuit-Host Modeling of a Genetic Switch in Varying Environments

Synthetic biology is advancing into a new phase where real-world applications are emphasized. There is hence an urgent need for mathematical modeling that can quantitatively describe the behaviors of genetic devices in natural, fluctuating environments. We utilize an integrative circuit-host modeling framework to examine the dynamics of a genetic switch and its host cell in varying environments. For both steady-state and transient cases, we find increasing nutrient reduces the bistability region of the phase space and eventually drives the switch from bistability to monostability. In response, cellular growth and proteome partitioning experience the same transition. Antibiotic perturbations cause the similar circuit and host responses as nutrient variations. However, one difference is the trend of growth rate, which augments with nutrient but declines with antibiotic levels. The framework provides a mechanistic scheme to account for both the dynamic and static characteristics of the circuit-host system upon environmental perturbations, underscoring the intimacy of gene circuits and their hosts and elucidating the complexity of circuit behaviors arising from environmental variations.

59 BASIC BIOLOGICAL SCIENCES↗

Symmetric linear systems - An application of algebraic systems theory

Dynamical systems which contain several identical subsystems occur in a variety of applications ranging from command and control systems and discretization of partial differential equations, to the stability augmentation of pairs of helicopters lifting a large mass. Linear models for such systems display certain obvious symmetries. In this paper, we discuss how these symmetries can be incorporated into a mathematical model that utilizes the modern theory of algebraic systems. Such systems are inherently related to the representation theory of algebras over fields. We will show that any control scheme which respects the dynamical structure either implicitly or explicitly uses the underlying algebra.

Hazewinkel, M.↗