Results for “Henry's coefficient” — Page 6

DOE OSTI2024

Demonstrating resonant ultrasound spectroscopy as a viable technique to characterize thermally conditioned high explosive materials

We present results of resonant ultrasound spectroscopy (RUS) measurements applied to granular high explosive materials at different bulk pressing densities and degree of thermal conditioning. The material chosen in this study is a ubiquitously used explosive material known as pentaerythritol tetranitrate (PETN), which is used commercially in civil and defense applications both as a binderized plastic bonded explosive material and an unbinderized neat material. However, changes in granular PETN bulk elastic properties due to thermal conditioning, which could have implications for better understanding environmental aging-related effects, have not been well studied even though it is believed that elasticity may play an important role in explosive material initiation mechanisms. Furthermore, monitoring elastic property changes in granular explosive pressings has not yet been demonstrated using RUS, which is an appealing non-destructive characterization tool that requires only dry point contact with the explosive material. To this end, we report the first study using RUS to quantify the elastic properties of binderized and neat PETN pressings as well as to quantify changes in elastic properties as a function of both thermal conditioning and bulk pressing density. Elastic stiffness coefficients, sometimes more commonly referred to as elastic constants, calculated from the RUS measurements on the different PETN-based materials show a significant increase for the post-conditioned samples compared to the pre-conditioned samples. This trend of increasing elastic properties with thermal conditioning was consistent for different density pressings, different thermal exposure conditions, and even different neat PETN pressings of differing average crystal sizes and/or specific surface areas.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Aerodynamic Performance of a 0.27-Scale Model of an AH-64 Helicopter with Baseline and Alternate Rotor Blade Sets

Performance of a 27 percent scale model rotor designed for the AH-64 helicopter (alternate rotor) was measured in hover and forward flight and compared against and AH-64 baseline rotor model. Thrust, rotor tip Mach number, advance ratio, and ground proximity were varied. In hover, at a nominal thrust coefficient of 0.0064, the power savings was about 6.4 percent for the alternate rotor compared to the baseline. The corresponding thrust increase at this condition was approx. 4.5 percent which represents an equivalent full scale increase in lift capability of about 660 lbs. Comparable results were noted in forward flight except for the high thrust, high speed cases investigated where the baseline rotor was slightly superior. Reduced performance at the higher thrusts and speeds was likely due to Reynolds number effects and blade elasticity differences.

Kelley, Henry L.↗

NASA NTRS1992

An incremental strategy for calculating consistent discrete CFD sensitivity derivatives

In this preliminary study involving advanced computational fluid dynamic (CFD) codes, an incremental formulation, also known as the 'delta' or 'correction' form, is presented for solving the very large sparse systems of linear equations which are associated with aerodynamic sensitivity analysis. For typical problems in 2D, a direct solution method can be applied to these linear equations which are associated with aerodynamic sensitivity analysis. For typical problems in 2D, a direct solution method can be applied to these linear equations in either the standard or the incremental form, in which case the two are equivalent. Iterative methods appear to be needed for future 3D applications; however, because direct solver methods require much more computer memory than is currently available. Iterative methods for solving these equations in the standard form result in certain difficulties, such as ill-conditioning of the coefficient matrix, which can be overcome when these equations are cast in the incremental form; these and other benefits are discussed. The methodology is successfully implemented and tested in 2D using an upwind, cell-centered, finite volume formulation applied to the thin-layer Navier-Stokes equations. Results are presented for two laminar sample problems: (1) transonic flow through a double-throat nozzle; and (2) flow over an isolated airfoil.

Korivi, Vamshi Mohan↗

NASA NTRS2017

Mars 2020 Entry, Descent, and Landing Instrumentation 2 (MEDLI2) Sensor Suite

The Mars 2020 Entry, Descent, and Landing Instrumentation 2 (MEDLI2) sensor suite seeks to address the aerodynamic, aerothermodynamic, and thermal protection system (TPS) performance issues during atmospheric entry, descent, and landing of the Mars 2020 mission. Based on the highly successful instrumentation suite that flew on Mars Science Laboratory (MEDLI), the new sensor suite expands on the types of measurements and also seeks to answer questions not fully addressed by the previous mission. Sensor Package: MEDLI2 consists of 7 pressure transducers, 17 thermal plugs, 2 heat flux sensors, and one radiometer. The sensors are distributed across both the heatshield and backshell, unlike MEDLI (the first sensor suite), which was located solely on the heat-shield. The sensors will measure supersonic pressure on the forebody, a pressure measurement on the aftbody, near-surface and in-depth temperatures in the heatshield and backshell TPS materials, direct total heat flux on the aftbody, and direct radiative heating on the aftbody. Instrument Development: The supersonic pressure transducers, the direct heat flux sensors, and the radiometer all were tested during the development phase. The status of these sensors, including the piezo-resistive pressure sensors, will be presented. The current plans for qualification and calibration for all of the sensors will also be discussed. Post-Flight Data Analysis: Similar to MEDLI, the estimated flight trajectory will be reconstructed from the data. The aerodynamic parameters that will be reconstructed will be the axial force coefficient, freestream Mach number, base pressure, atmospheric density, and winds. The aerothermal quantities that will be determined are the heatshield and backshell aero-heating, turbulence transition across the heatshield, and TPS in-depth performance of PICA. By directly measuring the radiative and total heat fluxes on the back-shell, the convective portion of the heat flux will be estimated. The status of the current tools to perform the post-flight data analysis will be presented, along with plans for model improvements.

Hwang, Helen↗

NASA NTRS2017

Mars 2020 Entry, Descent, and Landing Instrumentation 2 (MEDLI2) Sensor Suite

The Mars 2020 Entry, Descent, and Landing Instrumentation 2 (MEDLI2) sensor suite seeks to address the aerodynamic, aerothermodynamic, and thermal protection system (TPS) performance issues during atmospheric entry, descent, and landing of the Mars 2020 mission. Based on the highly successful instrumentation suite that flew on Mars Science Laboratory (MEDLI), the new sensor suite expands on the types of measurements and also seeks to answer questions not fully addressed by the previous mission. Sensor Package: MEDLI2 consists of 7 pressure transducers, 17 thermal plugs, 2 heat flux sensors, and one radiometer. The sensors are distributed across both the heatshield and backshell, unlike MEDLI (the first sensor suite), which was located solely on the heat-shield. The sensors will measure supersonic pressure on the forebody, a pressure measurement on the aftbody, near-surface and in-depth temperatures in the heatshield and backshell TPS materials, direct total heat flux on the aftbody, and direct radiative heating on the aftbody. Instrument Development: The supersonic pressure transducers, the direct heat flux sensors, and the radiometer all were tested during the development phase. The status of these sensors, including the piezo-resistive pressure sensors, will be presented. The current plans for qualification and calibration for all of the sensors will also be discussed. Post-Flight Data Analysis: Similar to MEDLI, the estimated flight trajectory will be reconstructed from the data. The aerodynamic parameters that will be reconstructed will be the axial force coefficient, freestream Mach number, base pressure, atmospheric density, and winds. The aerothermal quantities that will be determined are the heatshield and backshell aero-heating, turbulence transition across the heatshield, and TPS in-depth performance of PICA. By directly measuring the radiative and total heat fluxes on the back-shell, the convective portion of the heat flux will be estimated. The status of the current tools to perform the post-flight data analysis will be presented, along with plans for model improvements.

Hwang, Helen H.↗

NASA NTRS1997

Growth, Spectroscopy and Photorefractive Investigation of Vanadium Doped CdSSe

We present two-wave mixing results obtained with a CdS(0.8)Se(0.2):V crystal. The CdS(0.8)Se(0.2):V crystal was grown by physical vapor transport (PVT) along with a concentration of 150 ppm (nominal) vanadium for creating trap centers. The as-grown crystal has a large crystal size, good optical quality, and a medium resistivity of 10(exp 6) - 108 ohms-cm. A large photorefractive gain coefficient of ().24 cm-' was observed at 633 nm with an optical intensity of 60 mW/cm(exp 2) and a grating period of 1.6 microns. To our knowledge, this is the first observation of the photorefractive effect in a vanadium doped CdSSe crystal. Room temperature absorption and low temperature photoluminescence spectroscopy measurements are also discussed. With a significant photorefractive effect, the CdSSe:V crystals are promising for device applications based on photorefractive effect, in the wavelength range of 600-700 nm.

Davis, Michelle↗

NASA NTRSDate not supplied

Optimization of Plug Nozzles Using CFD Informed Design Space Querying

This paper presents an axisymmetric CFD approach based on Reynolds-averaged Navier-Stokes (RANS) calculations for the shape optimization of plug nozzle contours for both supersonic cruise and landing/takeoff (LTO) conditions. Three key external plug design parameters were defined as independent variables in the optimization scheme, while nozzle performance was evaluated using thrust coefficient (Cfg) and discharge coefficient (Cd) as the primary dependent variables. By varying these parameters, a wide range of axisymmetric conic section plug profiles can be achieved, simplifying the problem. The paper also discusses the supersonic plug nozzle optimization approach, design space seeding, meshing, and CFD simulations for the optimization process. The results demonstrate that the approach is effective in exploring the parameter space and reducing computational expenses, making it a viable option for optimizing nozzle plug contours. Using this optimization toolchain, the study yielded preliminary designs for LTO, cruise, and LTO-cruise balanced plug nozzles.

nozzles↗

NASA NTRSDate not supplied

Optimization of Plug Nozzles Using CFD Informed Design Space Querying

This paper presents an axisymmetric CFD approach based on Reynolds-averaged Navier-Stokes (RANS) calculations for the shape optimization of plug nozzle contours for both supersonic cruise and landing/takeoff (LTO) conditions. Three key external plug design parameters were defined as independent variables in the optimization scheme, while nozzle performance was evaluated using thrust coefficient (Cfg) and discharge coefficient (Cd) as the primary dependent variables. By varying these parameters, a wide range of axisymmetric conic section plug profiles can be achieved, simplifying the problem. The paper also discusses the supersonic plug nozzle optimization approach, design space seeding, meshing, and CFD simulations for the optimization process. The results demonstrate that the approach is effective in exploring the parameter space and reducing computational expenses, making it a viable option for optimizing nozzle plug contours. Using this optimization toolchain, the study yielded preliminary designs for LTO, cruise, and LTO-cruise balanced plug nozzles.

CFD↗

DOE OSTI2022

Coupled Interfacial and Bulk Kinetics Govern the Timescales of Multiphase Ozonolysis Reactions

Chemical transformations in aerosols impact the lifetime of particle phase species, the fate of atmospheric pollutants, and both climate- and health-relevant aerosol properties. Timescales for multiphase reactions of ozone in atmospheric aqueous phases are governed by coupled kinetic processes between the gas phase, the particle interface, and its bulk, which respond dynamically to reactive consumption of O 3 . However, models of atmospheric aerosol reactivity often do not account for the coupled nature of multiphase processes. Herein, to examine these dynamics, we use new and prior experimental observations of aqueous droplet reaction kinetics, including three systems with a range of surface affinities and ozonolysis rate coefficients ( trans -aconitic acid (C 6 H 6 O 6 ), maleic acid (C 4 H 4 O 4 ), and sodium nitrite (NaNO 2 )). Using literature rate coefficients and thermodynamic properties, we constrain a simple two-compartment stochastic kinetic model which resolves the interface from the particle bulk and represents O 3 partitioning, diffusion, and reaction as a coupled kinetic system. Our kinetic model accurately predicts decay kinetics across all three systems, demonstrating that both the thermodynamic properties of O 3 and the coupled kinetic and diffusion processes are key to making accurate predictions. An enhanced concentration of adsorbed O 3 , compared to gas and bulk phases is rapidly maintained and remains constant even as O 3 is consumed by reaction. Multiphase systems dynamically seek to achieve equilibrium in response to reactive O 3 loss, but this is hampered at solute concentrations relevant to aqueous aerosol by the rate of O 3 arrival in the bulk by diffusion. As a result, bulk-phase O 3 becomes depleted from its Henry's law solubility. This bulk-phase O 3 depletion limits reaction timescales for relatively slow-reacting organic solutes with low interfacial affinity (i.e., trans-aconitic and maleic acids, with k rxn ≈ 10 3 -10 4 M -1 s -1 ), which is in contrast to fast-reacting solutes with higher surface affinity (i.e., nitrite, with k rxn ≈ 10 5 M -1 s -1 ) where surface reactions strongly impact the observed decay kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Fast baryonic field painting for Sunyaev-Zel’dovich analyses: Transfer function vs hybrid effective field theory

Here, we present two approaches for “painting” baryonic properties relevant to the Sunyaev-Zel’dovich (SZ) effect—optical depth and Compton-y—onto three-dimensional N-body simulations, using the MillenniumTNG suite as a benchmark. The goal of these methods is to produce fast and accurate reconstruction methods to aid future analyses of baryonic feedback using the SZ effect. The first approach employs a Gaussian process emulator to model the SZ quantities via a transfer function, while the second utilizes hybrid effective field theory (HEFT) to reproduce these quantities within the simulation. Our analysis involves comparing both methods to the true MillenniumTNG optical depth and Compton-y fields using several metrics, including the cross-correlation coefficient, power spectrum, and power spectrum error. Additionally, we assess how well the reconstructed fields correlate with dark matter haloes across various mass thresholds. The results indicate that the transfer function method yields more accurate reconstructions for fields with initially high correlations (r ≈ 1), such as between the optical depth and dark matter fields. Conversely, the HEFT-based approach proves more effective in enhancing correlations for fields with weaker initial correlations (r ∼ 0.5), such as between the Compton-y and dark matter fields. Lastly, we discuss extensions of our methods to improve the reconstruction performance at the field level.

Liu, R. Henry [University of California, Berkeley,↗

NASA NTRS1974

The minimum free-stream wind speed for initiating motion of surface material on Mars

Estimates of the minimum free-stream wind speed that is required for initiating the motion of surficial material on Mars have ranged from 30 to about 200 meters per second. Thus the best value for this quantity is not well established. Graphical comparison of much of the pertinent data taken in the laboratory and in the field on Earth provides a minimum value for the Bagnold coefficient of 0.08 and this in turn provides a minimum value for the threshold friction velocity of 1.3 meters per second for initiating motion of particulate matter on Mars at low elevations where the pressure is 7 millibars. The most appropriate value of the ratio of friction velocity to free-stream velocity for putative unstable condition appears to be 0.026. Thus the minimum free-stream wind speed for initiating motion is obtained as 50 meters per second. If the surface material on Mars, however, is less cohesive than that on earth, the minimum value may be smaller.

Wood, G. P.↗

NASA NTRS2002

Turbomachinery Course

In this viewgraph presentation, information and diagrams are provided on rocket engine turbopumps. These turbomachines are highly complex and have several unique features: (1) They are generally very high power density machines; (2) They experience high fluid dynamic loads; (3) They are exposed to severe thermal shocks in terms of rapid starts and stops and extremely high heat transfer coefficients; (4) They have stringent suction performance requirements to minimize tank weight; (5) Their working fluids significantly impact the design: oxidizers are generally explosive, they afford almost no lubrication for bearings and seals, some fuels can degrade material properties, cryogenics result in severe thermal gradients; (6) Their life requirements are short relative to other turbomachines in that there are hundreds of cycles and a few hours of operation for reusable systems. The design of rocket engine turbomachines is a systems engineering challenge because multiple engineering disciplines must be integrated to deal with issues pertaining to stress, structural dynamics, hydrodynamics, aerodynamics, thermodynamics, and materials and process selection.

Stinson, Henry↗

NASA NTRS1938

Flight and Wind-tunnel Tests of an XBM-1 Dive Bomber

Results are given of pressure-distribution measurements made in flight over the right wing cellule and the right half of the horizontal tail surfaces of a dive-bombing biplane. Simultaneous measurements were also taken of the air speed, control-surface positions, control forces, and normal accelerations during various abrupt maneuvers in vertical plane. These maneuvers consisted of push-downs and pull-ups from level flight, dives and dive pull-ups from inverted flight. Besides the pressure measurements, flight tests were made to obtain (1) wing-fabric deflections during dives and (2) variation of the minimum drag coefficient with Reynolds Number. Supplementary tests were also done in the full-scale wind tunnel to obtain the characteristics of the airplane under various propeller conditions and with various tail settings. The results indicate that: (1) by increasing the fabric deflection between pressure ribs, the span load distribution was considerably modified near the center and the wing moment relations were changed; and (2) the minimum drag was less for the idling propeller than for the propeller locked in a vertical position. The value of C(sub D sub min) was equal to K(Reynolds Number)(exp -0.03) for a range from 2,800,000 to 13,100,000.

Donely, Philip↗

DOE OSTI2020

Adaptive Multirate Mass Transfer (aMMT) Model: A New Approach to Upscale Regional‐Scale Transport Under Transient Flow Conditions

Abstract The long‐term evaluation of regional‐scale groundwater quality needs efficient upscaling methods for transient flow. Upscaling techniques, such as the Multirate Mass Transfer (MRMT) method with constant upscaling parameters, have been used for transport with steady‐state flow, yet the upscaling parameters (i.e., rate coefficients) may be time dependent. This study proposed and validated an adaptive MRMT (aMMT) method by allowing the mass transfer coefficients in MRMT to change with the flow field. Advective‐dispersive contaminant transport simulated in a 3‐D heterogeneous medium was used as a reference solution. Equivalent transport under homogeneous flow conditions was evaluated by applying the MRMT and aMMT models for upscaling. The relationship between mass transfer coefficients and flow rates was fitted under steady‐state flow driven by various hydraulic gradients. A power law relationship was obtained, which was then used to update the mass transfer coefficients in each stress period under transient flow conditions in the aMMT method. Results indicated that for advection‐dominated transport, both the MRMT and aMMT methods can upscale the anomalous transport dynamics affected by subgrid heterogeneity under transient flow conditions. Whereas for diffusion‐dominated systems, the MRMT model failed to capture the tails of tracer breakthrough curves after the boundary condition changed, but the results from the aMMT model were significantly improved. However, if the overall flow direction changed, both MRMT and aMMT failed to represent the breakthrough curve tail generated by the heterogeneous system. The results point toward a promising path for upscaling transport in complex aquifers with transient flow.

Guo, Zhilin↗

DOE OSTI2022

Accurate determination of solvation free energies of neutral organic compounds from first principles

The main goal of molecular simulation is to accurately predict experimental observables of molecular systems. Another long-standing goal is to devise models for arbitrary neutral organic molecules with little or no reliance on experimental data. While separately these goals have been met to various degrees, for an arbitrary system of molecules they have not been achieved simultaneously. For biophysical ensembles that exist at room temperature and pressure, and where the entropic contributions are on par with interaction strengths, it is the free energies that are both most important and most difficult to predict. We compute the free energies of solvation for a diverse set of neutral organic compounds using a polarizable force field fitted entirely to ab initio calculations. The mean absolute errors (MAE) of hydration, cyclohexane solvation, and corresponding partition coefficients are 0.2 kcal/mol, 0.3 kcal/mol and 0.22 log units, i.e. within chemical accuracy. The model (ARROW FF) is multipolar, polarizable, and its accompanying simulation stack includes nuclear quantum effects (NQE). The simulation tools’ computational efficiency is on a par with current state-of-the-art packages. The construction of a wide-coverage molecular modelling toolset from first principles, together with its excellent predictive ability in the liquid phase is a major advance in biomolecular simulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

An Algorithm to Generate Deep-Layer Temperatures from Microwave Satellite Observations for the Purpose of Monitoring Climate Change

An algorithm for generating deep-layer mean temperatures from satellite-observed microwave observations is presented. Unlike traditional temperature retrieval methods, this algorithm does not require a first guess temperature of the ambient atmosphere. By eliminating the first guess a potentially systematic source of error has been removed. The algorithm is expected to yield long-term records that are suitable for detecting small changes in climate. The atmospheric contribution to the deep-layer mean temperature is given by the averaging kernel. The algorithm computes the coefficients that will best approximate a desired averaging kernel from a linear combination of the satellite radiometer's weighting functions. The coefficients are then applied to the measurements to yield the deep-layer mean temperature. Three constraints were used in deriving the algorithm: (1) the sum of the coefficients must be one, (2) the noise of the product is minimized, and (3) the shape of the approximated averaging kernel is well-behaved. Note that a trade-off between constraints 2 and 3 is unavoidable. The algorithm can also be used to combine measurements from a future sensor (i.e., the 20-channel Advanced Microwave Sounding Unit (AMSU)) to yield the same averaging kernel as that based on an earlier sensor (i.e., the 4-channel Microwave Sounding Unit (MSU)). This will allow a time series of deep-layer mean temperatures based on MSU measurements to be continued with AMSU measurements. The AMSU is expected to replace the MSU in 1996.

Goldberg, Mitchell D.↗

DOE OSTI2022

Validation of the Porous Medium Approximation for Hydrodynamics Analysis in Compact Heat Exchangers

Compact heat exchangers (HXs) have gained attention in recent years in various fields such as solar and nuclear power generation, oil and gas, and refrigeration due to their low cost, high power density, and robustness in high-pressure and/or high-temperature environments. However, the large difference between a compact HX's overall dimensions (~m) and the much smaller scale of its channels (~mm) makes it challenging to model the entire HX at once, due to computational limitations. In this work, we treat the channeled region of a compact HX as a porous medium (PM) to circumvent the need to model/mesh each individual channel. This allows us to simulate the entire HX, including both the header and channeled regions while maintaining the computational cost at a practical level. Although the porous medium approach has been used to model heat exchangers, its validity is still questionable because (1) the resistance coefficients are heavily data-based and thus difficult to be applied to new heat exchangers and (2) the validation has been focused on matching the overall pressure drop in the channel region, which does not address whether such model can predict detailed pressure and velocity field. For the first time, this work addresses under what circumstances and with what uncertainty does the PM approach work for hydrodynamics modeling in compact HXs. By answering these questions, we introduce the PM approach as a powerful tool for HX hydrodynamics modeling that can predict not only the overall pressure drop but also the detailed pressure and velocity distributions.

Engineering↗

DOE OSTI2022

Refined Classical Force Field for Choline Chloride and Ethylene Glycol Mixtures over Wide Composition Range

In this work, a classical force field based on the General Amber Force Field (GAFF) was refined for the simulation of choline chloride (ChCl) and ethylene glycol (EG) mixtures over a wide composition range by scaling the partial charges and van der Waals parameters. The scaling factors were derived by fitting the simulation results to only eight experimental density and viscosity data points of pure EG, and ChCl/EG mixtures at 1:2, 1:4, and 1:6 molar ratios. Using the refined force field, properties essential for electrochemical applications such as density, viscosity, self-diffusion coefficient, and ionic conductivity were calculated, and excellent agreement to experimental results was found even for compositions and temperatures not used in the fitting procedure. In addition, new experimental data for density, viscosity, and ionic conductivity are reported as a function of temperature and composition for this mixture. To the best of our knowledge, this is the first classical force field developed for the study of ChCl/EG mixtures over a composition range that includes the eutectic point. Using the new model, the liquid dynamics was studied in terms of ionic conductivity. It was found that the dynamics in ChCl/EG mixtures with ChCl mole fraction higher than 20% is similar to that of ionic liquids, high temperature molten salts, and highly concentrated water-in-salt electrolytes.

25 ENERGY STORAGE↗