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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Prediction of forces and moments for flight vehicle control effectors. Part 1: Validation of methods for predicting hypersonic vehicle controls forces and moments

Many types of hypersonic aircraft configurations are currently being studied for feasibility of future development. Since the control of the hypersonic configurations throughout the speed range has a major impact on acceptable designs, it must be considered in the conceptual design stage. The ability of the aerodynamic analysis methods contained in an industry standard conceptual design system, APAS II, to estimate the forces and moments generated through control surface deflections from low subsonic to high hypersonic speeds is considered. Predicted control forces and moments generated by various control effectors are compared with previously published wind tunnel and flight test data for three configurations: the North American X-15, the Space Shuttle Orbiter, and a hypersonic research airplane concept. Qualitative summaries of the results are given for each longitudinal force and moment and each control derivative in the various speed ranges. Results show that all predictions of longitudinal stability and control derivatives are acceptable for use at the conceptual design stage. Results for most lateral/directional control derivatives are acceptable for conceptual design purposes; however, predictions at supersonic Mach numbers for the change in yawing moment due to aileron deflection and the change in rolling moment due to rudder deflection are found to be unacceptable. Including shielding effects in the analysis is shown to have little effect on lift and pitching moment predictions while improving drag predictions.

Maughmer, Mark D.↗
NASA NTRS1992

Forcing function effects on unsteady aerodynamic gust response. I - Forcing functions

The paper investigates the fundamental gust modeling assumption on the basis of a series of experiments performed in the Purdue Annular Cascade Research Facility. The measured unsteady flow fields are compared to linear-theory gust requirements. The perforated plate forcing functions closely resemble linear-theory forcing functions, with the static pressure fluctuations small and the periodic velocity vectors parallel to the downstream mean-relative flow angle over the entire periodic cycle. The airfoil forcing functions exhibit characteristics far from linear-theory gusts, with the alignment of the velocity vectors and the static pressure fluctuation amplitudes dependent on the rotor-loading condition, rotor solidity, and the inlet mean-relative flow angle. It is shown that airfoil wakes, both compressor and turbine, cannot be modeled with the boundary conditions of current state-of-the-art linear unsteady aerodynamic theory.

Henderson, Gregory H.↗
NASA NTRS2017

Comparison of Theodorsen's Unsteady Aerodynamic Forces with Doublet Lattice Generalized Aerodynamic Forces

This paper identifies the unsteady aerodynamic forces and moments for a typical section contained in the NACA Report No. 496, "General Theory of Aerodynamic Instability and the Mechanism of Flutter," by Theodore Theodorsen. These quantities are named Theodorsen's aerodynamic forces (TAFs). The TAFs are compared to the generalized aerodynamic forces (GAFs) for a very high aspect ratio wing (AR = 20) at zero Mach number computed by the doublet lattice method. Agreement between TAFs and GAFs is very-good-to-excellent. The paper also reveals that simple proportionality relationships that are known to exist between the real parts of some GAFs and the imaginary parts of others also hold for the real and imaginary parts of the corresponding TAFs.

Perry, Boyd, III↗
DOE OSTI2019

Socioeconomic and atmospheric factors affecting aerosol radiative forcing: Production-based versus consumption-based perspective

There exist substantial differences in top-of-atmosphere direct radiative forcing of aerosols due to a region's economic production (RFp) and consumption (RFc), in the context of economic globalization, trade and globalizing air pollution. Yet an explicit systematic analysis of all socioeconomic and atmospheric factors determining the RF difference is lacking. Here, we evaluate five socioeconomic (population, per capita output, emission intensity) and atmospheric (chemical efficiency and radiative efficiency) factors that determine a region's RFp, RFc and their difference. We consider the RF of secondary inorganic aerosols, primary organic aerosols and black carbon by 10 regions worldwide in 2007. The population size varies by a factor of nine across the regions, and per capita output by 40 times from both production- and consumption-based perspectives. The cross-regional spread reaches a factor of 181 (species dependent) for production-based emission intensity and a factor of 96 for consumption-based intensity. From one region to another, production-based chemical efficiency changes within a factor of 5 and consumption-based efficiency within a factor of 3.5. Radiative efficiency varies slightly across the regions (within 2) from both production- and consumption-based perspectives. Although socioeconomic factors are often a greater driver for the difference between a source region's RFp and RFc, the atmospheric factors are also important for many source regions and species. Our results contribute to regional attribution of climate change and establishment of effective international collaborative mitigation strategies.

aerosol radiative forcing↗
DOE OSTI2018

Microscopic Behaviors of Tri-n-Butyl Phosphate, n-Dodecane and Their Mixtures at Air/Liquid and Liquid/Liquid Interfaces: An AMBER Polarizable Force Field Study

In solvent extraction processes for recovering metal ions from used nuclear fuel, as well as other industrial applications, a better understanding of the metal complex phase transfer phenomenon would greatly aid ligand design and process optimization. We have approached this challenge by utilizing classical molecular dynamics simulations technique to gain visual appreciation of the vapor/liquid and liquid/liquid interface between tri-n-butyl phosphate (TBP) and n-dodecane with air and water. In this study, we successfully reparameterized polarizable force fields for TBP and n-dodecane that accurately reproduced several of their thermophysical properties such as: density, heat of vaporization, and dipole moment. Our models were able to predict the surface and interfacial tension of different systems when compared to experimental results also performed by us. Through this study, we gained numerous atomistic understanding of the behaviors of TBP and n-dodecane at the interface against air and water, useful in further computational studies of such systems. Lastly, our studies indicate that the initial configuration of a simulation may have a large effect on the final result.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

JOINT APPOINTEE: Evolution of ferroelectric properties in SmxBi1-xFeO3 via automated Piezoresponse Force Microscopy across combinatorial spread libraries

Combinatorial spread libraries offer a innovative approach to explore the evolution of material properties over broad concentration, temperature, and growth parameter spaces. However, traditional limitation of this approach is the requirement for the read-out of functional properties across the library. Here we develop automated Piezoresponse Force Microscopy (PFM) for the exploration of combinatorial spread libraries and demonstrate its application in the SmxBi1-xFeO3 system with the ferroelectric-antiferroelectric morphotropic phase boundary. This approach relies on the synergy of the quantitative nature of PFM and the implementation of automated experiments that allow PFM-based sampling over macroscopic samples. The concentration dependence of pertinent ferroelectric parameters has been determined and used to develop the mathematical framework based on Ginzburg-Landau theory describing the evolution of these properties across the concentration space. We pose that a combination of automated scanning probe microscope and combinatorial spread library approach will emerge as an efficient research paradigm to close the characterization gap in the high-throughput materials discovery. We make the data sets open to the community and hope that this will stimulate other efforts to interpret and understand the physics of these systems.

Automated Microscopy, Combinatorial Library, Ferro↗
DOE OSTI2021

METHODOLOGY AND APPLICATION OF PHYSICAL SECURITY EFFECTIVENESS BASED ON DYNAMIC FORCE-ON-FORCE MODELING

This paper describes ongoing work within the Light Water Reactor Sustainability (LWRS) Program at Idaho National Laboratory (INL) to optimize security and cost of nuclear power plants (NPPs). It reviews the conservatisms in conventional physical security posture and regulations. It introduces the dynamic risk assessment tool developed at INL, Event Modeling Risk Assessment using Linked Diagrams (EMRALD). The dynamic assessment methodology leverages EMRALD to process results of force-on-force (FOF) simulations and crediting safety mitigation actions from probabilistic risk assessment (PRA) models as well as diverse and flexible coping strategies (FLEX) mitigation strategies. Timing information from these simulations are compared against the available time to perform mitigations obtained from Reactor Excursion and Leak Analysis Program (RELAP5) simulations. To illustrate the methodology, a station blackout (SBO) attack scenario was modeled in commercially available FOF simulation tools. The simulation results provide valuable insights into possible attack outcomes and as the probabilistic risk of a core damage event given these outcomes. Safety mitigation procedures were modeled in EMRALD, and were dependent on the attack outcomes by considering human operator uncertainties. RELAP5 simulations incorporating human and hardware uncertainties were performed to estimate the distribution of time-to-core damage. The results demonstrate that, even in the extreme case of a successful adversarial attack, plant mitigation strategies provide significantly high-likelihood of preventing radiological release. The proposed modeling and simulation framework of integrating FLEX equipment with FOF models enables the NPPs to credit FLEX portable equipment in the plant security posture, resulting in an efficient and optimized physical security.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Pacific decadal oscillation remotely forced by the equatorial Pacific and the Atlantic Oceans

Abstract The Pacific Decadal Oscillation (PDO), the leading mode of Pacific decadal sea surface temperature variability, arises mainly from combinations of regional air-sea interaction within the North Pacific Ocean and remote forcing, such as from the tropical Pacific and the Atlantic. Because of such a combination of mechanisms, a question remains as to how much PDO variability originates from these regions. To better understand PDO variability, the equatorial Pacific and the Atlantic impacts on the PDO are examined using several 3-dimensional partial ocean data assimilation experiments conducted with two global climate models: the CESM1.0 and MIROC3.2m. In these partial assimilation experiments, the climate models are constrained by observed temperature and salinity anomalies, one solely in the Atlantic basin and the other solely in the equatorial Pacific basin, but are allowed to evolve freely in other regions. These experiments demonstrate that, in addition to the tropical Pacific’s role in driving PDO variability, the Atlantic can affect PDO variability by modulating the tropical Pacific climate through two proposed processes. One is the equatorial pathway, in which tropical Atlantic sea surface temperature (SST) variability causes an El Niño-like SST response in the equatorial Pacific through the reorganization of the global Walker circulation. The other is the north tropical pathway, where low-frequency SST variability associated with the Atlantic Multidecadal Oscillation induces a Matsuno-Gill type atmospheric response in the tropical Atlantic-Pacific sectors north of the equator. These results provide a quantitative assessment suggesting that 12–29% of PDO variance originates from the Atlantic Ocean and 40–44% from the tropical Pacific. The remaining 27–48% of the variance is inferred to arise from other processes such as regional ocean-atmosphere interactions in the North Pacific and possibly teleconnections from the Indian Ocean.

Meteorology & Atmospheric Sciences↗
DOE OSTI2019

Time-Dependent Complete Active Space Embedded in Polarizable Force Field

Electron correlation and environmental effects play important roles in electron dynamics and spectroscopic observables of chemical systems in condensed phase. In this paper, we present a time-dependent complete active space configuration interaction (TD-CASCI) approach embedded in a polaraizable force filed, MMPol. The present implementation of TD-CASCI/MMPol utilizes a direct matrix-vector contraction, allowing studies of large systems. This scheme is used to study the solvatochromic shift of coumarin 153 in methanol. The TD-CASCI/MMPol approach captures the double excitation character in the excited state wave function and accurately predicts the solvatochromic red-shift of coumarin 153 dye within the experimental range, outperforming linear response time-dependent density functional theory. The effect of using different reference orbitals for the TD-CASCI/MMPol simulation is also investigated, highlighting the need for an unbiased treatment of all electronic states in the energy range of interest.

Liu, Hongbin↗
DOE OSTI2022

Influence of Long-Range Forces on the Transition States and Dynamics of NaCl Ion-Pair Dissociation in Water

We study NaCl ion-pair dissociation in a dilute aqueous solution using computer simulations both for the full system with long-range Coulomb interactions and for a well-chosen reference system with short-range intermolecular interactions. Analyzing results using concepts from Local Molecular Field (LMF) theory and the recently proposed AI-based analysis tool “State predictive information bottleneck” (SPIB), we show that the system with short-range interactions can accurately reproduce the transition rate for the dissociation process, the dynamics for moving between the underlying metastable states, and the transition state ensemble. Contributions from long-range interactions can be largely neglected for these processes because long-range forces from the direct interionic Coulomb interactions are almost completely canceled (>90%) by those from solvent interactions over the length scale where the transition takes place. Thus, for this important monovalent ion-pair system, short-range forces alone are able to capture detailed consequences of the collective solvent motion, allowing the use of physically suggestive and computationally efficient short-range models for the dissociation event. Here, we believe that the framework here should be applicable to disentangling mechanisms for more complex processes such as multivalent ion disassociation, where previous work has suggested that long-range contributions may be more important.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Statistically Steady State Large-Eddy Simulations Forced by an Idealized GCM: 1. Forcing Framework and Simulation Characteristics

Using large-eddy simulations (LES) systematically has the potential to inform parameterizations of subgrid-scale (SGS) processes in general circulation models (GCMs), such as turbulence, convection, and clouds. Here we show how LES can be run to emulate grid columns of GCMs to generate a library of LES across a cross-section of dynamical regimes. The LES setup replicates the thermodynamic and water budgets in GCM grid columns. Resolved horizontal and vertical transports of heat and water and large-scale pressure gradients from the GCM are prescribed as forcing in the LES. The LES satisfies the same (slab-ocean) surface boundary conditions as the GCM, leaving the LES temperatures free to adjust. Radiative transfer is treated in a unied but highly idealized manner (a semi-gray atmosphere without cloud radiative effects) in both the GCM and LES. We show that the LES with these forcing and boundary conditions reaches statistically steady states without nudging to reference profiles. These steady states provide a training dataset for developing GCM parameterizations. The same LES setup also provides a good basis for studying the cloud response to global warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

On the feasibility of future colliders: report of the Snowmass'21 Implementation Task Force

Colliders are essential research tools for particle physics. Numerous future collider proposal were discussed in the course of the US high energy physics community strategic planning exercise Snowmass'21. The Implementation Task Force (ITF) has been established to evaluate the proposed future accelerator projects for performance, technology readiness, schedule, cost, and environmental impact. Corresponding metrics has been developed for uniform comparison of the proposals ranging from Higgs/EW factories to multi-TeV lepton, hadron and ep collider facilities, based on traditional and advanced acceleration technologies. Here, this article describes the metrics and approaches, and presents evaluations of future colliders performed by the ITF.

43 PARTICLE ACCELERATORS↗
NASA NTRS1992

The validation of a human force model to predict dynamic forces resulting from multi-joint motions

The development and validation is examined of a dynamic strength model for humans. This model is based on empirical data. The shoulder, elbow, and wrist joints were characterized in terms of maximum isolated torque, or position and velocity, in all rotational planes. This data was reduced by a least squares regression technique into a table of single variable second degree polynomial equations determining torque as a function of position and velocity. The isolated joint torque equations were then used to compute forces resulting from a composite motion, in this case, a ratchet wrench push and pull operation. A comparison of the predicted results of the model with the actual measured values for the composite motion indicates that forces derived from a composite motion of joints (ratcheting) can be predicted from isolated joint measures. Calculated T values comparing model versus measured values for 14 subjects were well within the statistically acceptable limits and regression analysis revealed coefficient of variation between actual and measured to be within 0.72 and 0.80.

Pandya, Abhilash K.↗
NASA NTRS2016

The Flux-Anomaly-Forced Model Intercomparison Project (FAFMIP) Contribution to CMIP6: Investigation of Sea-Level and Ocean Climate Change in Response to CO2 Forcing

The Flux-Anomaly-Forced Model Intercomparison Project (FAFMIP) aims to investigate the spread in simulations of sea-level and ocean climate change in response to CO2 forcing by atmosphere-ocean general circulation models (AOGCMs). It is particularly motivated by the uncertainties in projections of ocean heat uptake, global-mean sealevel rise due to thermal expansion and the geographical patterns of sea-level change due to ocean density and circulation change. FAFMIP has three tier-1 experiments, in which prescribed surface flux perturbations of momentum, heat and freshwater respectively are applied to the ocean in separate AOGCM simulations. All other conditions are as in the pre-industrial control. The prescribed fields are typical of pattern and magnitude of changes in these fluxes projected by AOGCMs for doubled CO2 concentration. Five groups have tested the experimental design with existing AOGCMs. Their results show diversity in the pattern and magnitude of changes, with some common qualitative features. Heat and water flux perturbation cause the dipole in sea-level change in the North Atlantic, while momentum and heat flux perturbation cause the gradient across the Antarctic Circumpolar Current. The Atlantic meridional overturning circulation (AMOC) declines in response to the heat flux perturbation, and there is a strong positive feedback on this effect due to the consequent cooling of sea-surface temperature in the North Atlantic, which enhances the local heat input to the ocean. The momentum and water flux perturbations do not substantially affect the AMOC. Heat is taken up largely as a passive tracer in the Southern Ocean, which is the region of greatest heat input, while the weakening of the AMOC causes redistribution of heat towards lower latitudes. Future analysis of these and other phenomena with the wider range of CMIP6 FAFMIP AOGCMs will benefit from new diagnostics of temperature and salinity tendencies, which will enable investigation of the model spread in behaviour in terms of physical processes as formulated in the models.

thermosteric sea-level change↗
DOE OSTI2019

Risk-informed Physical Security Using Dynamic Force-on-Force Modelling Tools (ABSTRACT)

Physical security requirement of nuclear power plants (NPPs) in the US is regulated in a mainly prescriptive manner. This “one size fits all” approach may consequently overlook plant-specific characteristics which are beneficial for the inherent safety and security of the plant. Although a performance-based security measure has been promulgated in 10 CFR 73.55(r), current evaluation methods generally emphasize static and conservative assumptions on physical security uncertainties. This conservatism contributes to the overall operational and maintenance costs, which account to 70% of total operating expenditures for an NPP. This paper describes an ongoing work at the Idaho National Laboratory within the Light Water Reactor Sustainability pathway, which aims to optimize physical protection system with regards to system effectiveness and dollar costs. To achieve this goal, a risk-informed approach to physical security is proposed. This approach leverages the Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool to model facility infiltration and Force-on-Force (FoF) engagement in a dynamic manner. The dynamic FoF analysis was conducted by coupling human performance uncertainties modeled in EMRALD to existing commercial 3-dimensional FoF software, i.e. SCRIBE3D, AVERT and Simajin. Meanwhile, risk analysis was accomplished by coupling the attack outcomes to existing plant Probabilistic Risk Assessment (PRA) model with FLEX strategy. This approach reduces the conservatisms in security modeling and further acknowledges the possibility for plant operators to mitigate the attack outcomes. A sabotage attack on a hypothetical NPP facility was devised to demonstrate the proposed methodology. Dynamic FoF rules were implemented in EMRALD coupled to SCRIBE3D. This dynamic evaluation revealed an additional 21% system effectiveness in protecting the target set relative to the static modelling approach. Furthermore, the conditional core damage probability could be reduced by up to 46% by crediting operator actions in mitigating the sabotage outcomes. We evaluated the relative importance of each component of the physical security posture included in the model and assessed tradeoffs between components to identify potential opportunities for cost reduction while maintaining a specific level of system effectiveness. Results of the cost analysis will be presented in the conference. This study is expected to help NPP operators in allocating resources optimally to satisfy the security requirements.

97 MATHEMATICS AND COMPUTING↗