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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A non-modal analytical method to predict turbulent properties applied to the Hasegawa-Wakatani model

Linear eigenmode analysis often fails to describe turbulence in model systems that have non-normal linear operators and thus nonorthogonal eigenmodes, which can cause fluctuations to transiently grow faster than expected from eigenmode analysis. When combined with energetically conservative nonlinear mode mixing, transient growth can lead to sustained turbulence even in the absence of eigenmode instability. Since linear operators ultimately provide the turbulent fluctuations with energy, it is useful to define a growth rate that takes into account non-modal effects, allowing for prediction of energy injection, transport levels, and possibly even turbulent onset in the subcritical regime. We define such a non-modal growth rate using a relatively simple model of the statistical effect that the nonlinearities have on cross-phases and amplitude ratios of the system state variables. In particular, we model the nonlinearities as delta-function-like, periodic forces that randomize the state variables once every eddy turnover time. Furthermore, we estimate the eddy turnover time to be the inverse of the least stable eigenmode frequency or growth rate, which allows for prediction without nonlinear numerical simulation. We test this procedure on the 2D and 3D Hasegawa-Wakatani model [A. Hasegawa and M. Wakatani, Phys. Rev. Lett. 50, 682 (1983)] and find that the non-modal growth rate is a good predictor of energy injection rates, especially in the strongly non-normal, fully developed turbulence regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Joint Bayesian Estimation of Quasar Continua and the Lyα Forest Flux Probability Distribution Function

We present a new Bayesian algorithm making use of Markov Chain Monte Carlo sampling that allows us to simultaneously estimate the unknown continuum level of each quasar in an ensemble of high-resolution spectra, as well as their common probability distribution function (PDF) for the transmitted Lyα forest flux. This fully automated PDF regulated continuum fitting method models the unknown quasar continuum with a linear principal component analysis (PCA) basis, with the PCA coefficients treated as nuisance parameters. The method allows one to estimate parameters governing the thermal state of the intergalactic medium (IGM), such as the slope of the temperature–density relation γ−1, while marginalizing out continuum uncertainties in a fully Bayesian way. Using realistic mock quasar spectra created from a simplified semi-numerical model of the IGM, we show that this method recovers the underlying quasar continua to a precision of ≃7% and ≃10% at z = 3 and z = 5, respectively. Given the number of principal component spectra, this is comparable to the underlying accuracy of the PCA model itself. Most importantly, we show that we can achieve a nearly unbiased estimate of the slope γ−1 of the IGM temperature–density relation with a precision of ±8.6% at z = 3 and ±6.1% at z = 5, for an ensemble of ten mock high-resolution quasar spectra. Applying this method to real quasar spectra and comparing to a more realistic IGM model from hydrodynamical simulations would enable precise measurements of the thermal and cosmological parameters governing the IGM, albeit with somewhat larger uncertainties, given the increased flexibility of the model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Nonlinear transmission of an intense terahertz field through monolayer graphene

We report nonlinear terahertz (THz) effects in monolayer graphene, giving rise to transmission enhancement of a single-cycle THz pulse when the incident THz peak electric field is increased. This transmission enhancement is attributed to reduced photoconductivity, due to saturation effects in the field-induced current and increased intraband scattering rates arising from transient heating of electrons. We have developed a tight-binding model of the response using the length gauge interaction Hamiltonian that provides good qualitative agreement. The model fully accounts for the nonlinear response arising from the linear dispersion energy spectrum in graphene. The results reveal a strong dependence of the scattering time on the THz field, which is at the heart of the observed nonlinear response.

36 MATERIALS SCIENCE↗
DOE OSTI2016

NR sulphur vulcanization: Interaction study between TBBS and DPG by means of a combined experimental rheometer and meta-model best fitting strategy

The paper is aimed at studying the possible interaction between two different accelerators (DPG and TBBS) in the chemical kinetic of Natural Rubber (NR) vulcanized with sulphur. The same blend with several DPG and TBBS concentrations is deeply analyzed from an experimental point of view, varying the curing temperature in the range 150-180°C and obtaining rheometer curves with a step of 10°C. In order to study any possible interaction between the two accelerators –and eventually evaluating its engineering relevance-rheometer data are normalized by means of the well known Sun and Isayev normalization approach and two output parameters are assumed as meaningful to have an insight into the possible interaction, namely time at maximum torque and reversion percentage. Two different numerical meta-models, which belong to the family of the so-called response surfaces RS are compared. The first is linear against TBBS and DPG and therefore well reproduces no interaction between the accelerators, whereas the latter is a non-linear RS with bilinear term. Both RS are deduced from standard best fitting of experimental data available. It is found that, generally, there is a sort of interaction between TBBS and DPG, but that the error introduced making use of a linear model (no interaction) is generally lower than 10%, i.e. fully acceptable from an engineering standpoint.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Kinetic and temperature sensitivity properties of soil exoenzymes through the soil profile down to one-meter depth at a temperate coniferous forest (Blodgett, CA)

This dataset contains data on kinetic and temperature sensitivity parameters of the exoenzymes β-glucosidase (BG), leucine/leucyl aminopeptidase (LAP) and acid phosphatase (AP) across a soil profile down to 90 cm depth at Blodgett forest, CA, USA. These data were generated to determine if kinetic and thermal properties of microbial exoenzymes involved in organic matter decomposition varied with soil depth, following variation in soil properties and microbial communities, as part of the study: Alves et al. (2021). Kinetic Properties of Microbial Exoenzymes Vary with Soil Depth but Have Similar Temperature Sensitivities Through the Soil Profile. Frontiers in Microbiology 12:3618. https://doi.org/10.3389/fmicb.2021.735282. This research was performed within the framework of the TES Belowground Biogeochemistry SFA project, in particular association with a long-term field warming experiment of the whole soil profile at Blodgett forest. Samples for this work were collected from locations representative of the field experimental plots. Potential enzyme activity rates were measured using laboratory fluorometric assays with soils collected at 0-10, 10-20, 30-40, 50-60, 60-70 and 80-90 cm deep in biological triplicates (i.e., three soil cores collected at different representative locations). Assays with each soil were conducted over a gradient of eight substrate concentrations per enzyme, and incubated at 4, 10, 16, 25, 35 or 50°C. Enzyme Michaelis-Menten kinetics were modeled over the eight substrate concentrations at each temperature, and the temperature sensitivity of the kinetic parameters was modeled over the six temperatures using linear Arrhenius/Q10 and non-linear Macromolecular Rate Theory (MMRT) models. The dataset includes the fully processed enzyme activity rate data used to model Michaelis-Menten kinetics, calculated kinetic and temperature sensitivity parameters, and basic soil and microbial biomass chemistry for each sample. All data is provided for each individual biological replicate, and kinetic and temperature sensitivity parameters are also provided as means of the biological replicates. The dataset also includes all raw measurement data and code used to parse, combine and perform the analyses described by Alves et al. (2021). For file descriptions, see the file-level metadata files: “enzymes_dataProcessed_flmd.xlsx” (processed data); “enzymes_dataRaw_flmd.xlsx” (compressed raw data and metadata); and “enzymes_code_flmd.xlsx” (compressed code). The experimental design, list of parameters measured, soil and microbial biomass chemistry data, and means of biological replicates for kinetic and temperature sensitivity parameters are also provided as human-readable tables in file “enzymeTraits_design_results_tables.xlsx”.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

User's Guide of TOUGH2-EGS. A Coupled Geomechanical and Reactive Geochemical Simulator for Fluid and Heat Flow in Enhanced Geothermal Systems Version 1.0

TOUGH2-EGS is a numerical simulation program coupling geomechanics and chemical reactions for fluid and heat flows in porous media and fractured reservoirs of enhanced geothermal systems. The simulator includes the fully-coupled geomechanical (THM) module, the fully-coupled geochemical (THC) module, and the sequentially coupled reactive geochemistry (THMC) module. The fully-coupled flow-geomechanics model is developed from the linear elastic theory for the thermo-poro-elastic system and is formulated with the mean normal stress as well as pore pressure and temperature. The chemical reaction is sequentially coupled after solution of flow equations, which provides the flow velocity and phase saturation for the solute transport calculation at each time step. In addition, reservoir rock properties, such as porosity and permeability, are subjected to change due to rock deformation and chemical reactions. The relationships between rock properties and geomechanical and chemical effects from poro-elasticity theories and empirical correlations are incorporated into the simulator. This report provides the user with detailed information on both mathematical models and instructions for using TOUGH2-EGS for THM, THC or THMC simulations. The mathematical models include the fluid and heat flow equations, geomechanical equation, reactive geochemistry equations, and discretization methods. Although TOUGH2-EGS has the capability for simulating fluid and heat flows coupled with both geomechanical and chemical effects, it is up to the users to select the specific coupling process, such as THM, THC, or THMC in a simulation. There are several example problems illustrating the applications of this program. These example problems are described in details and their input data are presented. The results demonstrate that this program can be used for field-scale geothermal reservoir simulation with fluid and heat flow, geomechanical effect, and chemical reaction in porous and fractured media.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

Three-Dimensional Finite Difference Simulation of Ground Motions from the August 24, 2014 South Napa Earthquake

We performed three-dimensional (3D) anelastic ground motion simulations of the South Napa earthquake to investigate the performance of different finite rupture models and the effects of 3D structure on the observed wavefield. We considered rupture models reported by Dreger et al. (2015), Ji et al., (2015), Wei et al. (2015) and Melgar et al. (2015). We used the SW4 anelastic finite difference code developed at Lawrence Livermore National Laboratory (Petersson and Sjogreen, 2013) and distributed by the Computational Infrastructure for Geodynamics. This code can compute the seismic response for fully 3D sub-surface models, including surface topography and linear anelasticity. We use the 3D geologic/seismic model of the San Francisco Bay Area developed by the United States Geological Survey (Aagaard et al., 2008, 2010). Evaluation of earlier versions of this model indicated that the structure can reproduce main features of observed waveforms from moderate earthquakes (Rodgers et al., 2008; Kim et al., 2010). Simulations were performed for a domain covering local distances (< 25 km) and resolution providing simulated ground motions valid to 1 Hz.

58 GEOSCIENCES↗
DOE OSTI2021

Improved Air-Conditioning Demand Response of Connected Communities over Individually Optimized Buildings

Connected communities potentially offer much greater demand response capabilities over singular building energy management systems (BEMS) through an increase of connectivity. The potential increase in benefits from this next step in connectivity is still under investigation, especially when applied to existing buildings. This work utilizes EnergyPlus simulation results on eight different commercial prototype buildings to estimate the potential savings on peak demand and energy costs using a mixed-integer linear programming model. This model is used in two cases: a fully connected community and eight separate buildings with BEMS. The connected community is optimized using all zones as variables, while the individual buildings are optimized separately and then aggregated. These optimization problems are run for a range of individual zone flexibility values. The results indicate that a connected community offered 60.0% and 24.8% more peak demand savings for low and high flexibility scenarios, relative to individually optimized buildings. Energy cost optimization results show only marginally better savings of 2.9% and 6.1% for low and high flexibility, respectively.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Gauge invariance of light-matter interactions in first-principle tight-binding models

In this work, we study the different ways of introducing light-matter interaction in first-principle tight-binding (TB) models. The standard way of describing optical properties is the velocity gauge, defined by linear coupling to the vector potential. In finite systems a transformation to represent the electromagnetic radiation by the electric field instead is possible, albeit subtleties arise in periodic systems. The resulting dipole gauge is a multi-orbital generalization of the Peierls substitution. In this work we investigate the accuracy for both pathways, with particular emphasis on gauge invariance, for TB models constructed from maximally localized Wannier functions. This approach accurately captures the light-matter interaction close to the Fermi level. Focusing on paradigmatic two-dimensional materials, we construct first-principle models and calculate the response to electromagnetic fields in linear response and for strong excitations. Benchmarks against fully converged first-principle calculations allow for ascertaining the accuracy of the TB models. We find that the dipole gauge provides a more accurate description than the velocity gauge in all cases. The main deficiency of the velocity gauge is an imperfect cancellation of paramagnetic and diamagnetic current. Formulating a corresponding sum rule however provides a way to explicitly enforce this cancellation. This procedure corrects the TB models in the velocity gauge, yielding excellent agreement with dipole gauge and thus restoring gauge invariance.

2-dimensional systems↗
DOE OSTI2014

Building America Case Study: Predicting Envelope Leakage in Attached Dwellings (Fact Sheet)

'The cost for blower testing is high, because it is labor intensive, and it may disrupt occupants in multiple units. This high cost and disruption deters program participants, and dissuades them from pursuing energy improvements that would trigger air leakage testing, such as improvements to the building envelope.' This statement found in a 2012 report by Heschong Mahone Group emphasizes the importance of reducing the cost and complexity of blower testing in multifamily buildings. Energy efficiency opportunities are being bypassed. The cost of single blower testing is on the order of $300. The cost for guarded blower door testing, the more appropriate test for assessing energy savings opportunities, could easily be six times that and that's only if you have the equipment and simultaneous access to multiple apartments. Thus, the proper test is simply not performed. The objective of the 2013 research project was to develop the model for predicting fully guarded test results (FGT), using unguarded test data and specific building features of apartment units. The model developed has a coefficient of determination R2 value of 0.53 with a root mean square error (RMSE) of 0.13. Both statistical metrics indicate that the model is relatively strong. When tested against data that was not included in the development of the model, prediction accuracy was within 19%, which is reasonable given that seasonal differences in blower door measurements can vary by as much as 25%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Multifamily Envelope Leakage Model

The objective of the 2013 research project was to develop the model for predicting fully guarded test results (FGT), using unguarded test data and specific building features of apartment units. The model developed has a coefficient of determination R2 value of 0.53 with a root mean square error (RMSE) of 0.13. Both statistical metrics indicate that the model is relatively strong. When tested against data that was not included in the development of the model, prediction accuracy was within 19%, which is reasonable given that seasonal differences in blower door measurements can vary by as much as 25%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

A fast implicit solver for semiconductor models in one space dimension

Several different approaches are proposed for solving fully implicit discretizations of a simplified Boltzmann-Poisson system with a linear relaxation-type collision kernel. This system models the evolution of free electrons in semiconductor devices under a low-density assumption. At each implicit time step, the discretized system is formulated as a fixed-point problem, which can then be solved with a variety of methods. A key algorithmic component in all the approaches considered here is a recently developed sweeping algorithm for Vlasov-Poisson systems. A synthetic acceleration scheme has been implemented to accelerate the convergence of iterative solvers by using the solution to a drift-diffusion equation as a preconditioner. The performance of four iterative solvers and their accelerated variants has been compared on problems modeling semiconductor devices with various electron mean-free-path.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Ion anisotropy instabilities in the magnetosheath

Recent observations in Earth's magnetosheath have delineated several different kinds of magnetic fluctuation spectra below the proton cyclotron frequency. This paper provides a theoretical interpretation for some of these observations describing solutions of the linear Vlasov dispersion equation for fully electromagnetic instabilities for particle distributions which model those observed in the magnetosheath. This model yields three growing modes: the proton cyclotron anisotropy the helium cyclotron anisotropy, and the mirror instabilities. The results show very good agreement with the observations of mirror-like and proton-cyclotron-like events. This agreement with observations implies that the transition between cyclotron and mirror fluctuation dominance is consistent with linear theory.

Gary, S. P.↗
DOE OSTI2015

Modern sensitivity analysis - 15651

Sensitivity analysis has been applied to complex models, such as performance assessment models, since at least the advent of computational tools to support such an approach to model evaluation. Initially, sensitivity analysis methods were applied to deterministic models and focused on changing one input variable at a time. Probabilistic modeling opened the door to evaluating changes in all input variables simultaneously. Standardized rank regression methods were primarily used in the last century to evaluate probabilistic models. These methods assume linearity in the rank response of the model to the inputs. At the very least this assumes monotonicity in the response, but for the most part the response needs to be near-linear. This is highly unlikely for performance assessment models that are based on differential equations, multiplication and division of variables that are usually not correlated, and conservatism that is not well understood. There are better statistical methods for evaluating highly non-linear and dynamic probabilistic models. Some of these methods were founded in the data mining industry. This century has seen a rapid development of the internet that led directly to the development of data mining techniques for massive databases. Although the goals were different, these techniques can be adapted to sensitivity analysis for complex probabilistic models, which, also, form large, or even massive, databases. These modern sensitivity analysis procedures assess the importance of every explanatory variable (input parameters) used in a probabilistic model. In practice, this means that for each endpoint of interest, every explanatory variable in the model is associated with a quantitative measure of importance. For a given explanatory variable, the importance value depends on the endpoint of interest. This global approach to sensitivity analysis allows all levels of interactions to be evaluated, so that the variation in the output can be measured at every level of possible interaction. The effects are collected together during sensitivity analysis processing, and then separated out to attribute the overall contribution of each input parameter to the model output. These global sensitivity analysis procedures have the ability to characterize non-linear and non-monotonic relationships between explanatory variables and endpoints of interest. This is critically important because of the need to characterize complex interactions among multiple explanatory variables in PA models that often have non-linear and non-monotonic effects. The options for sensitivity analysis are fully explored, including an evaluation of several methods when applying them to a well-known complex non-linear non-monotonic model. The results clearly demonstrate the relative benefit of using data mining methods over simple statistical approaches such as standardized rank regression. (authors)

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2013

Parametric Thermal Soak Model for Earth Entry Vehicles

The analysis and design of an Earth Entry Vehicle (EEV) is multidisciplinary in nature, requiring the application many disciplines. An integrated tool called Multi Mission System Analysis for Planetary Entry Descent and Landing or M-SAPE is being developed as part of Entry Vehicle Technology project under In-Space Technology program. Integration of a multidisciplinary problem is a challenging task. Automation of the execution process and data transfer among disciplines can be accomplished to provide significant benefits. Thermal soak analysis and temperature predictions of various interior components of entry vehicle, including the impact foam and payload container are part of the solution that M-SAPE will offer to spacecraft designers. The present paper focuses on the thermal soak analysis of an entry vehicle design based on the Mars Sample Return entry vehicle geometry and discusses a technical approach to develop parametric models for thermal soak analysis that will be integrated into M-SAPE. One of the main objectives is to be able to identify the important parameters and to develop correlation coefficients so that, for a given trajectory, can estimate the peak payload temperature based on relevant trajectory parameters and vehicle geometry. The models are being developed for two primary thermal protection (TPS) materials: 1) carbon phenolic that was used for Galileo and Pioneer Venus probes and, 2) Phenolic Impregnated Carbon Ablator (PICA), TPS material for Mars Science Lab mission. Several representative trajectories were selected from a very large trade space to include in the thermal analysis in order to develop an effective parametric thermal soak model. The selected trajectories covered a wide range of heatload and heatflux combinations. Non-linear, fully transient, thermal finite element simulations were performed for the selected trajectories to generate the temperature histories at the interior of the vehicle. Figure 1 shows the finite element model that was used for the simulations. The results indicate that it takes several hours for the thermal energy to soak into the interior of the vehicle and achieve maximum payload temperatures. In addition, a strong correlation between the heatload and peak payload container temperature is observed that will help establishing the parametric thermal soak model.

Agrawal, Parul↗
NASA NTRSDate not supplied

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

Accurate prediction of aerothermodynamic loads in thermal non-equilibrium flows requires precise modeling of internal energy exchange. While previous direct simulation Monte Carlo frameworks have successfully implemented discrete rotational energy models for diatomic species, the treatment of polyatomic molecules has traditionally relied on continuous energy assumptions that break down at low temperatures and neglect critical high-temperature corrections. This study extends the discrete rotational energy models of Boyd and Gimelshein to fully encompass polyatomic molecules. The proposed framework implements quantized rotational energy level sampling for linear, spherical, and symmetric/asymmetric top rotors. Crucially, the model incorporates centrifugal distortion to address the limitations of the rigid-rotor assumption at hypersonic temperatures, and accounts for nuclear spin parity, which dictates the permissible rotational states and macroscopic specific heats at low temperatures. The model is verified through equilibrium sampling procedures, demonstrating agreement with theoretical quantum Boltzmann distributions and accurately reproducing thermophysical properties across a wide range of temperatures.

DSMC↗
DOE OSTI2015

Multifamily Envelope Leakage Model

“The cost for blower testing is high, because it is labor intensive, and it may disrupt occupants in multiple units. This high cost and disruption deter program participants, and dissuade them from pursuing energy improvements that would trigger air leakage testing, such as improvements to the building envelope.” This statement found in a 2012 report by Heschong Mahone Group for several California interests emphasizes the importance of reducing the cost and complexity of blower testing in multifamily buildings. Energy efficiency opportunities are being bypassed. The cost of single blower testing is on the order of $300. The cost for guarded blower door testing—the more appropriate test for assessing energy savings opportunities—could easily be six times that, and that’s only if you have the equipment and simultaneous access to multiple apartments. Thus, the proper test is simply not performed. This research seeks to provide an algorithm for predicting the guarded blower door test result based upon a single, total blower door test.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1989

Hierarchic plate and shell models based on p-extension

Formulation of hierarchic sequences of finite element models for beams, arches, plates and shells based on the principle of virtual work is described. The exact solutions corresponding to models in the hierarchic sequence converge to the exact solution of the fully three-dimensional problem of linear elasticity. The stopping criterion is that the functionals of interest must be substantially independent of the choice of the model. This process is closely related to p-extensions. Aspects of implementation are discussed in connection with axisymmetric shells and an example is presented. An application of superconvergent extraction methods for the computation of stress resultants is demonstrated.

Szabo, B. A.↗