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At least 307 records · Page 17

All sources NASA NTRS DOE OSTI

NASA NTRS1991

Development of braided rope seals for hypersonic engine applications. II - Flow modeling

Two models based on the Kozeny-Carmen equation were developed to analyze the fluid flow through a new class of braided rope seals under development for advanced hypersonic engines. A hybrid seal geometry consisting of a braided sleeve and a substantial amount of longitudinal fibers with high packing density was selected for development based on its low leakage rates. The models developed allow prediction of the gas leakage rate as a function of fiber diameter, fiber packing density, gas properties, and pressure drop across the seal.

Mutharasan, Rajakkannu↗

NASA NTRS1981

Evaluating the effectiveness of case method instruction in technical communication

The effectiveness of the case method as an instructional technique in improving technical writing was evaluated. The development of a self-report instrument that attempts to measure changes in attitude toward technical communication and the presentation results change are the purpose of this paper. Standards for developing a case set forth by Goldstein and Couture, were used to design an evaluation instrument to measure the effect instruction on student attitude toward technical communication. This self-report instrument is based on model developed and tested by Daly and Miller who studied writer attitude and apprehension toward writing. It was the most important objective of any evaluation is to provide information for improving the program.

Feinberg, S. G.↗

DOE OSTI2026

Best practices in software development for robust and reproducible geoscientific models based on insights from the Global Carbon Budget's dynamic vegetation models

Computational models play an increasingly vital role in scientific research by enabling the numerical simulation of complex processes. Such models are also fundamental in geosciences. For instance, they offer critical insights into the impacts of global change on the Earth system today and in the future. Beyond their value as research tools, models are also software products and should therefore adhere to certain established software engineering standards. However, scientists are rarely trained as software developers, which can lead to potential deficiencies in software quality like unreadable, inefficient, or erroneous code. The complexity of models, coupled with their integration into broader workflows, also often makes it challenging to reproduce results, evaluate processes, and build upon them. In this paper, we review the state and current practices of the development processes of the state-of-the-art land surface models used by the Global Carbon Budget. We combine the experience of modelers from the respective research groups with the expertise of software engineers from tech companies to outline key principles and tools for improving software quality in research. We explore four main areas: (1) model testing and validation, (2) scientific, technical, and user documentation, (3) version control, continuous integration, and code review, and (4) the portability and reproducibility of workflows. Our review reveals that while modeling communities are incorporating many best practices, significant room for improvement remains in areas such as automated testing, automated documentation, and reproducibility. Therefore, we here identify and promote essential software engineering practices, including numerous examples of practices from within the community that can serve as guidelines for other models and could help streamline processes across the entire community. We conclude with an open-source example implementation of these principles, demonstrating portable and reproducible data flows, a continuous integration setup, and web-based visualizations. This example may serve as a practical resource for model developers, users, and all scientists engaged in scientific programming.

Gregor, Konstantin [Technical Univ. of Munich (Ger↗

DOE OSTI2017

Predicting Transport of 3,5,6-Trichloro-2-Pyridinol Into Saliva Using a Combination Experimental and Computational Approach

A combination experimental and computational approach was developed to predict chemical transport into saliva. A serous-acinar chemical transport assay was established to measure chemical transport with non-physiological (standard cell culture medium) and physiological (using surrogate plasma and saliva medium) conditions using 3,5,6-trichloro-2-pyridinol (TCPy) a metabolite of the pesticide chlorpyrifos. High levels of TCPy protein binding was observed in cell culture medium and rat plasma resulting in different TCPy transport behaviors in the two experimental conditions. In the non-physiological transport experiment, TCPy reached equilibrium at equivalent concentrations in apical and basolateral chambers. At higher TCPy doses, increased unbound TCPy was observed, and TCPy concentrations in apical and basolateral chambers reached equilibrium faster than lower doses, suggesting only unbound TCPy is able to cross the cellular monolayer. In the physiological experiment, TCPy transport was slower than non-physiological conditions, and equilibrium was achieved at different concentrations in apical and basolateral chambers at a comparable ratio (0.034) to what was previously measured in rats dosed with TCPy (saliva:blood ratio: 0.049). A cellular transport computational model was developed based on TCPy protein binding kinetics and accurately simulated all transport experiments using different permeability coefficients for the two experimental conditions (1.4 vs 0.4 cm/hr for non-physiological and physiological experiments, respectively). The computational model was integrated into a physiologically based pharmacokinetic (PBPK) model and accurately predicted TCPy concentrations in saliva of rats dosed with TCPy. Overall, this study demonstrates an approach to predict chemical transport in saliva potentially increasing the utility of salivary biomonitoring in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Localization landscape theory of disorder in semiconductors. II. Urbach tails of disordered quantum well layers

Urbach tails in semiconductors are often associated to effects of compositional disorder. The Urbach tail observed in InGaN alloy quantum wells of solar cells and LEDs by biased photocurrent spectroscopy is shown to be characteristic of the ternary alloy disorder. The broadening of the absorption edge observed for quantum wells emitting from violet to green (indium content ranging from 0% to 28%) corresponds to a typical Urbach energy of 20 meV. A three-dimensional absorption model is developed based on a recent theory of disorder-induced localization which provides the effective potential seen by the localized carriers without having to resort to the solution of the Schrödinger equation in a disordered potential. This model incorporating compositional disorder accounts well for the experimental broadening of the Urbach tail of the absorption edge. For energies below the Urbach tail of the InGaN quantum wells, type-II well-to-barrier transitions are observed and modeled. This contribution to the below-band-gap absorption is particularly efficient in near-ultraviolet emitting quantum wells.When reverse biasing the device, the well-to-barrier below-band-gap absorption exhibits a red-shift, while the Urbach tail corresponding to the absorption within the quantum wells is blue-shifted, due to the partial compensation of the internal piezoelectric fields by the external bias. The good agreement between the measured Urbach tail and its modeling by the localization theory thus demonstrates the applicability of the latter to compositional disorder effects in nitride semiconductors.

14 SOLAR ENERGY↗

DOE OSTI2024

X-ray-induced piezoresponse during X-ray photon correlation spectroscopy of PbMg 1/3 Nb 2/3 O 3

X-ray photon correlation spectroscopy (XPCS) holds strong promise for observing atomic-scale dynamics in materials, both at equilibrium and during non-equilibrium transitions. Here an in situ XPCS study of the relaxor ferroelectric PbMg 1/3 Nb 2/3 O 3 (PMN) is reported. A weak applied AC electric field generates strong response in the speckle of the diffuse scattering from the polar nanodomains, which is captured using the two-time correlation function. Correlated motions of the Bragg peak are also observed, which indicate dynamic tilting of the illuminated volume. This tilting quantitatively accounts for the observed two-time speckle correlations. The magnitude of the tilting would not be expected solely from the modest applied field, since PMN is an electrostrictive material with no linear strain response to the field. A model is developed based on non-uniform static charging of the illuminated surface spot by the incident micrometre-scale X-ray beam and the electrostrictive material response to the combination of static and dynamic fields. The model qualitatively explains the direction and magnitude of the observed tilting, and predicts that X-ray-induced piezoresponse could be an important factor in correctly interpreting results from XPCS and nanodiffraction studies of other insulating materials under applied AC field or varying X-ray illumination.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Modeling of Wall-Bounded Complex Flows and Free Shear Flows

Various wall-bounded flows with complex geometries and free shear flows have been studied with a newly developed realizable Reynolds stress algebraic equation model. The model development is based on the invariant theory in continuum mechanics. This theory enables us to formulate a general constitutive relation for the Reynolds stresses. Pope was the first to introduce this kind of constitutive relation to turbulence modeling. In our study, realizability is imposed on the truncated constitutive relation to determine the coefficients so that, unlike the standard k-E eddy viscosity model, the present model will not produce negative normal stresses in any situations of rapid distortion. The calculations based on the present model have shown an encouraging success in modeling complex turbulent flows.

Shih, Tsan-Hsing↗

DOE OSTI2016

MO-AB-BRA-02: Modeling Nanoparticle-Eluting Spacer Degradation During Brachytherapy Application with in Situ Dose-Painting

Purpose: Brachytherapy application with in situ dose-painting using gold nanoparticles (GNP) released from GNP-loaded brachytherapy spacers has been proposed as an innovative approach to increase therapeutic efficacy during brachytherapy. This work investigates the dosimetric impact of slow versus burst release of GNP from next generation biodegradable spacers. Methods: Mathematical models were developed based on experimental data to study the release of GNP from a spacer designed with FDA approved poly(lactic-co-glycolic acid) (PLGA) polymer. The diffusion controlled released process and PLGA polymer degradation kinetics was incorporated in the calculations for the first time. An in vivo determined diffusion coefficient was used for determining the concentration profiles and corresponding dose enhancement based on initial GNP-loading concentrations of 7 mg/g. Results: The results showed that there is significant delay before the concentration profile of GNP diffusion in the tumor is similar to that when burst release is assumed as in previous studies. For example, in the case of burst release after spacer administration, it took up to 25 days for all the GNP to be released from the spacer using diffusion controlled release process only. However, it took up to 45 days when a combined model for both diffusion and polymer degradation processes was used. Based on the tumor concentration profiles, a significant dose enhancement factor (DEF >20%), could be attained at a tumor distances of 5 mm from a spacer loaded with 10 nm GNP sizes. Conclusion: The results highlight the need to take the slow release of GNP from spacers and factors such as biodegradation of polymers into account in research development of GNP-eluting spacers for brachytherapy applications with in-situ dose-painting using gold nanoparticles. The findings suggest that I-125 may be the more appropriate for such applications given the relatively longer half-live compared to other radioisotopes like Pd-103 and Cs-131.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

An analysis of parameters affecting ampacity in aircraft bipolar MVDC power cables via coupled electrical, thermal, and computational fluid dynamic modelling

Abstract The next generation of aircraft, including more electric aircraft and all‐electric aircraft (AEA), requires electric power systems with high power density and low system mass specifications. Increasing the voltage of the system to the range of a few kV, medium voltage (MV), is a reasonable approach to achieving high‐power‐density and low‐system‐mass EPSs for aircraft applications. Higher voltages, however, pose many challenges for aviation MV power cables such as arcs and arc tracking, partial discharges (PDs), and thermal management. In this regard, thermal management is more challenging since heat transfer by convection is greatly reduced at wide‐body aircraft's cruising altitudes due to the reduced air pressure. In this paper, a finite element method (FEM) model is developed in COMSOL Multiphysics for an aircraft bipolar MVDC (±5 kV) power cable. Using the model, the maximum permissible cable current at a low pressure of 18.8 kPa (at an altitude of 12.2 km from sea level, the usual cruising altitude for wide‐body aircraft) is calculated. Also, an analytical model is developed based on analytical and proven empirical correlations governing conductive, radiative, and convective heat transfers at the steady state to estimate the ampacity of the bipolar cable system at reduced pressure. It was shown that the proposed analytical model can be used for atmospheric pressure and systems with a larger number of poles, expanding its range of applications. The results of the FEM and analytical models correlate at wide ranges of parameters such as ambient temperature, duct size, distance between the positive and negative pole cables, and the overall diameter of the cables. The influence of horizontal and vertical arrangement of poles is included in the analytical model. The results of this study can be used to design bipolar MVDC power cable systems for the envisaged wide‐body AEA.

Azizi, Arian↗

NASA NTRS1985

Cross coupling in pilot/vehicle systems

Multiloop pilot/vehicle analysis is applied to the problem of determining crossfeed techniques which may be employed by pilots in minimizing the effects of vehicle cross coupling. As used here, cross coupling refers to unwanted vehicle motion which occurs in one control axis or loop as the result of pilot control actuation in another control axis or loop. The minimization or elimination of such cross coupling can contribute significantly to the 'workload' associated with tasks like nap-of-the-earth helicopter flight. In contrast, situations arise in which pilot's may use vehicle cross coupling to improve performance by coordinating two control actuations in the control of a single response variable. A crossfeed model is developed based upon simple control system design principles and configured in a manner amenable to pilot pursuit or precognitive control activity. A handling qualities theory developed to analyze single loop tasks is applied to the multiloop problem. The crossfeed model is applied to five different vehicles/configurations ranging from helicopters to fighter aircraft. Results indicate relatively simple crossfeed commands can significantly reduce cross coupling and, in some improve handling qualities as predicted by the single loop theory.

Hess, R. A.↗

NASA NTRS1991

Numerical simulations of turbulent thermal convection with differential rotation

The solar nebula, from which the planets in our solar system formed, featured a disk of gas and dust grains in rapid, differential rotation, and at some stage was likely to have been unstable to thermal convection. This situation is suspected by many to lead to significant turbulent Reynolds stress production and angular momentum transport in such systems, and estimates of transport rates have been attempted from unsubstantiated phenomenological models. In order to determine the circumstances and physical conditions under which our own planetary system formed and to explain recent observations of young stellar systems, it is necessary to develop realistic models of heat and angular momentum transport for such flows. Developing an understanding of complicated flows featuring thermal convection, rotation, and shear is also of wide interest in stellar astrophysics and in planetary and terrestrial atmospheric studies. The ultimate objective is to develop workable models based on the numerical simulations for constructing global solar nebula models; viz., relatively simple prescriptions for heat and angular momentum fluxes from given system parameters (e.g., ratios of rotation, shear, and convective lapse rates) are characterized, quantified, and developed. Toward this end, our program has been to attempt to understand the behavior of the direct numerical simulations of Boussinesq convection, which, despite the complexity of the results, is still an overly simplified approximation to the real system and should be more amenable to analysis. These results are also intended to be tested against turbulence models, especially those designed for atmospheric boundary layers, and may provide a basis for subgrid-scale models. In order to make the numerical simulations more realistic with regard to the solar nebula problem, a fully compressible code that will allow incorporation of large density stratifications and realistic thermodynamic and radiative properties is developed. In order to explore the properties of these flows at the very high values of Re found in natural systems and the very low values of Pr found in most astrophysical contexts, we will need to employ large-eddy simulations for which we want to determine the most appropriate subgrid-scale model to incorporate.

Cabot, William H.↗

NASA NTRS2020

Integrated Modeling and Development of Component-Based Embedded Software in Scala

Programming of embedded systems is challenging due to the low-level design patterns normally applied in the implementation of such systems. Furthermore, programming languages normally considered suitable for this level of programming, such as C and C++, are themselves low-level compared to more modern programming languages. We report on an effort exploring modeling and programming of embedded systems in modern high-level programming languages combining object-oriented and functional programming. We present an integration of four separate internal DSLs (libraries), considered useful for embedded program- ming, in the Scala programming language, for programming and testing component-based systems. These include a DSL for defining components and their connections, and a DSL for programming the individual components as hierarchical state machines. Two additional DSLs support testing, and include a DSL for writing temporal logic flavored test oracles for monitoring program executions, and a DSL for rule-based test input generation. The paper discusses the gap between Scala as used here and the needs for embedded systems programming.

Bocchino, Robert↗

NASA NTRS1997

Numerical Study of Magnetic Damping During Unidirectional Solidification

A fully 3-D numerical model is developed to represent magnetic damping of complex fluid flow, heat transfer and electromagnetic field distributions in a melt cavity. The model is developed based on our in-house finite element code for the fluid flow, heat transfer and electromagnetic field calculations. The computer code has been tested against benchmark test problems that are solved by other commercial codes as well as analytical solutions whenever available. The numerical model is tested against numerical and experimental results for water reported in literature. With the model so tested, various numerical simulations are carried out for the Sn-35.5% Pb melt convection and temperature distribution in a cylindrical cavity with and without the presence of a transverse magnetic field. Numerical results show that magnetic damping can be effectively applied to reduce turbulence and flow levels in the melt undergoing solidification and over a certain threshold value a higher magnetic field resulted in a higher velocity reduction. It is found also that for a fully 3-D representation of the magnetic damping effects, the electric field induced in the melt by the applied DC magnetic field does not vanish, as some researchers suggested, and must be included even for molten metal and semiconductors. Also, for the study of the melt flow instability, a long enough time has to be applied to ensure the final fluid flow recirculation pattern. Moreover, our numerical results suggested that there seems to exist a threshold value of applied magnetic field, above which magnetic damping becomes possible and below which the convection in the melt is actually enhanced. Because of the limited financial resource allocated for the project, we are unable to carry out extensive study on this effect, which should warrant further theoretical and experimental study. In that endeavor, the developed numerical model should be very useful; and the model should serve as a useful tool for exploring necessary design parameters for planning magnetic damping experiments and interpreting the experimental results.

Li, Ben Q.↗

NASA NTRS2010

Pathway Model of the Kinetics of the TGFbeta Antagonist Smad7 and Cross-Talk with the ATM and WNT Pathways

Signal transduction controls cellular and tissue responses to radiation. Transforming growth factor beta (TGFbeta) is an important regulator of cell growth and differentiation and tissue homeostasis, and is often dis-regulated in tumor formation. Mathematical models of signal transduction pathways can be used to elucidate how signal transduction varies with radiation quality, and dose and dose-rate. Furthermore, modeling of tissue specific responses can be considered through mechanistic based modeling. We developed a mathematical model of the negative feedback regulation by Smad7 in TGFbeta-Smad signaling and are exploring possible connections to the WNT/beta -catenin, and ATM/ATF2 signaling pathways. A pathway model of TGFbeta-Smad signaling that includes Smad7 kinetics based on data in the scientific literature is described. Kinetic terms included are TGFbeta/Smad transcriptional regulation of Smad7 through the Smad3-Smad4 complex, Smad7-Smurf1 translocation from nucleus to cytoplasm, and Smad7 negative feedback regulation of the TGFO receptor through direct binding to the TGFO receptor complex. The negative feedback controls operating in this pathway suggests non-linear responses in signal transduction, which are described mathematically. We then explored possibilities for cross-talk mediated by Smad7 between DNA damage responses mediated by ATM, and with the WNT pathway and consider the design of experiments to test model driven hypothesis. Numerical comparisons of the mathematical model to experiments and representative predictions are described.

Carra, Claudio↗

DOE OSTI2016

A pencil beam dose calculation model for CyberKnife system

Purpose: CyberKnife system is initially equipped with fixed circular cones for stereotactic radiosurgery. Two dose calculation algorithms, Ray-Tracing and Monte Carlo, are available in the supplied treatment planning system. A multileaf collimator system was recently introduced in the latest generation of system, capable of arbitrarily shaped treatment field. The purpose of this study is to develop a model based dose calculation algorithm to better handle the lateral scatter in an irregularly shaped small field for the CyberKnife system. Methods: A pencil beam dose calculation algorithm widely used in linac based treatment planning system was modified. The kernel parameters and intensity profile were systematically determined by fitting to the commissioning data. The model was tuned using only a subset of measured data (4 out of 12 cones) and applied to all fixed circular cones for evaluation. The root mean square (RMS) of the difference between the measured and calculated tissue-phantom-ratios (TPRs) and off-center-ratio (OCR) was compared. Three cone size correction techniques were developed to better fit the OCRs at the penumbra region, which are further evaluated by the output factors (OFs). The pencil beam model was further validated against measurement data on the variable dodecagon-shaped Iris collimators and a half-beam blocked field. Comparison with Ray-Tracing and Monte Carlo methods was also performed on a lung SBRT case. Results: The RMS between the measured and calculated TPRs is 0.7% averaged for all cones, with the descending region at 0.5%. The RMSs of OCR at infield and outfield regions are both at 0.5%. The distance to agreement (DTA) at the OCR penumbra region is 0.2 mm. All three cone size correction models achieve the same improvement in OCR agreement, with the effective source shift model (SSM) preferred, due to their ability to predict more accurately the OF variations with the source to axis distance (SAD). In noncircular field validation, the pencil beam calculated results agreed well with the film measurement of both Iris collimators and the half-beam blocked field, fared much better than the Ray-Tracing calculation. Conclusions: The authors have developed a pencil beam dose calculation model for the CyberKnife system. The dose calculation accuracy is better than the standard linac based system because the model parameters were specifically tuned to the CyberKnife system and geometry correction factors. The model handles better the lateral scatter and has the potential to be used for the irregularly shaped fields. Comprehensive validations on MLC equipped system are necessary for its clinical implementation. It is reasonably fast enough to be used during plan optimization.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

ROP model for PDC bits in Geothermal drilling

Geothermal energy is a renewable source of energy, where heat extraction is preferentially balanced with the reservoir's natural heat recharge rate. The objective of this paper is to present and validate a novel rate of penetration (ROP) model for drilling hard and abrasive formations including granite formations for polycrystalline diamond compact (PDC) bits. The ROP model was developed based on a derived relationship of a threshold weight on cutter (WOC) and its corresponding depth of cut (DOC) for a single cutter. Laboratory data was used to scale the derived single cutter relationship to a full-hole ROP model for PDC bits. The ROP model includes a non-linear correlation for Phase I (inefficient drilling due to low WOB values) and a linear Phase II (efficient drilling) ROP response to WOB. The ROP model was verified using measured drilling parameter data from Utah FORGE well# 58-32 and data from Chocolate Mountains well # 17-8 in Southern California. When compared to oil and gas well drilling, geothermal drilling in granitic formations can be more difficult and complicated due to rock hardness and high temperatures. PDC bits can increase ROP and optimize drilling for these types of hard formations. This paper provides novel insight into the ROP response of PDC bits to drilling operational parameters.

15 GEOTHERMAL ENERGY↗

DOE OSTI2023

A Predictive Transient Model of the TREAT-SIRIUS Experiments

To support experiments modeling and transient analysis of the NASA-sponsored SIRIUS experiments in the Transient Reactor Test Facility (TREAT), an innovative predictive transient model has been developed to simulate various transient experiments. The developed model is based on a new approach that utilizes steady-state Monte Carlo calculations along with a surrogate model based on polynomial regression to determine the core reactivity. The reactivity is supplied to an exact point kinetics model that determines the reactor power, and it is coupled to an adiabatic feedback model to determine the fuel average temperature. In this work, the newly developed model is introduced along with validation test results considering SIRIUS-1 experiments at different power levels. The initial test results show a very good agreement with experimental data at different power levels, which indicates that the model can be used to predict the power of other transient tests.

42 ENGINEERING↗

DOE OSTI2022

cabbi-bio/BECT-ABM

The emergence of the cellulosic bioeconomy requires not only adequate technological, economic, and policy advances, but also effective communication and coordination among the multiple stakeholders in the bioeconomy community. Aiming to facilitate stakeholder communication and collaboration for cellulosic bioeconomy growth, an agent-based model is developed as a community communication tool in this study. The tool simulates the behaviors and interactions of key stakeholders, as well as the responses and interactions between the stakeholders and biophysical, socioeconomic, and environmental conditions. The agent behavior rules are developed and validated based on behavior and economic theories and information attained from a stakeholder focus group study and a land use survey.

Yang, Pan↗