Search NASA⌕ Search

SEARCH · Search NASA

Results for “predictive thermodynamics”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Comparisons between thermodynamic and one-dimensional combustion models of spark-ignition engines

Results from a one-dimensional combustion model employing a constant eddy diffusivity and a one-step chemical reaction are compared with those of one-zone and two-zone thermodynamic models to study the flame propagation in a spark-ignition engine. One-dimensional model predictions are found to be very sensitive to the eddy diffusivity and reaction rate data. The average mixing temperature found using the one-zone thermodynamic model is higher than those of the two-zone and one-dimensional models during the compression stroke, and that of the one-dimensional model is higher than those predicted by both thermodynamic models during the expansion stroke. The one-dimensional model is shown to predict an accelerating flame even when the front approaches the cold cylinder wall.

Ramos, J. I.↗
NASA NTRS2013

Numerical Predictions of Damage and Failure in Carbon Fiber Reinforced Laminates Using a Thermodynamically-Based Work Potential Theory

A thermodynamically-based work potential theory for modeling progressive damage and failure in fiber-reinforced laminates is presented. The current, multiple-internal state variable (ISV) formulation, referred to as enhanced Schapery theory (EST), utilizes separate ISVs for modeling the effects of damage and failure. Consistent characteristic lengths are introduced into the formulation to govern the evolution of the failure ISVs. Using the stationarity of the total work potential with respect to each ISV, a set of thermodynamically consistent evolution equations for the ISVs are derived. The theory is implemented into a commercial finite element code. The model is verified against experimental results from two laminated, T800/3900-2 panels containing a central notch and different fiber-orientation stacking sequences. Global load versus displacement, global load versus local strain gage data, and macroscopic failure paths obtained from the models are compared against the experimental results.

composite materials↗
NASA NTRSDate not supplied

GMAO OSSE Framework in Support of PBL Mission Science

The planetary boundary layer is the bottom layer of the troposphere where most of human activities take place. Atmospheric pollutants are capped by the temperature inversion layer in PBL. The thickness of PBL, ranging from tens of meter to several kilometer, affects pollutant dispersion and air quality. The thickness of PBL typically shows a strong diurnal cycle but it is difficult to model and predict its change because complicated dynamic and thermodynamic processes involved with air-surface exchange of temperature and moisture, convective mixing, surface friction, topography, advection and radiation heating and cooling influence the PBL height. Various parameterization schemes for PBL were developed but the underlying processes of PBL are neither clearly understood nor represented in NWP models and adding large uncertainty into weather and climate predictions. There are no systematic global observations to provide information on thermodynamic structure of PBL and efforts to explore new spaceborne instruments and measurement techniques are growing. This study aims to develop a PBL OSSE framework leveraging existing GMAO’s OSSE system that utilizes GEOS data assimilation and global forecast model (1) to evaluate existing and potential new observation types for the PBL structure analysis and prediction and (2) to test sensitivity of PBL parameterization schemes to PBL forecasts.

Min-Jeong Kim↗
NASA NTRS1985

Thermodynamics of clathrate hydrate at low and high pressures with application to the outer solar system

The thermodynamic stability of clathrate hydrate is calculated to predict the formation conditions corresponding to a range of solar system parameters. The calculations were performed using the statistical mechanical theory developed by van der Waals and Platteeuw (1959) and existing experimental data concerning clathrate hydrate and its components. Dissociation pressures and partition functions (Langmuir constants) are predicted at low pressure for CO clathrate (hydrate) using the properties of chemicals similar to CO. It is argued that nonsolar but well constrained noble gas abundances may be measurable by the Galileo spacecraft in the Jovian atmosphere if the observed carbon enhancement is due to bombardment of the atmosphere by clathrate-bearing planetesimals sometime after planetary formation. The noble gas abundances of the Jovian satellite Titan are predicted, assuming that most of the methane in Titan is accreted as clathrate. It is suggested that under thermodynamically appropriate conditions, complete clathration of water ice could have occurred in high-pressure nebulas around giant planets, but probably not in the outer solar nebula. The stability of clathrate in other pressure ranges is also discussed.

Lunine, J. I.↗
NASA NTRS1986

Non-solar noble gas abundances in the atmosphere of Jupiter

The thermodynamic stability of clathrate hydrate is calculated to predict the formation conditions corresponding to a range of solar system parameters. The calculations were performed using the statistical mechanical theory developed by van der Waals and Platteeuw (1959) and existing experimental data concerning clathrate hydrate and its components. Dissociation pressures and partition functions (Langmuir constants) are predicted at low pressure for CO clathrate (hydrate) using the properties of chemicals similar to CO. It is argued that nonsolar but well constrained noble gas abundances may be measurable by the Galileo spacecraft in the Jovian atmosphere if the observed carbon enhancement is due to bombardment of the atmosphere by clathrate-bearing planetesimals sometime after planetary formation. The noble gas abundances of the Jovian satellite Titan are predicted, assuming that most of the methane in Titan is accreted as clathrate. It is suggested that under thermodynamically appropriate conditions, complete clathration of water ice could have occurred in high-pressure nebulas around giant planets, but probably not in the outer solar nebula. The stability of clathrate in other pressure ranges is also discussed.

Lunine, Jonathan I.↗
NASA NTRS2014

Liquid Oxygen Thermodynamic Vent System Testing with Helium Pressurization

This report presents the results of several thermodynamic vent system (TVS) tests with liquid oxygen plus a test with liquid nitrogen. In all tests, the liquid was heated above its normal boiling point to 111 K for oxygen and 100 K for nitrogen. The elevated temperature was representative of tank conditions for a candidate lunar lander ascent stage. An initial test series was conducted with saturated oxygen liquid and vapor at 0.6 MPa. The initial series was followed by tests where the test tank was pressurized with gaseous helium to 1.4 to 1.6 MPa. For these tests, the helium mole fraction in the ullage was quite high, about 0.57 to 0.62. TVS behavior is different when helium is present than when helium is absent. The tank pressure becomes the sum of the vapor pressure and the partial pressure of helium. Therefore, tank pressure depends not only on temperature, as is the case for a pure liquid-vapor system, but also on helium density (i.e., the mass of helium divided by the ullage volume). Thus, properly controlling TVS operation is more challenging with helium pressurization than without helium pressurization. When helium was present, the liquid temperature would rise with each successive TVS cycle if tank pressure was kept within a constant control band. Alternatively, if the liquid temperature was maintained within a constant TVS control band, the tank pressure would drop with each TVS cycle. The final test series, which was conducted with liquid nitrogen pressurized with helium, demonstrated simultaneous pressure and temperature control during TVS operation. The simultaneous control was achieved by systematic injection of additional helium during each TVS cycle. Adding helium maintained the helium partial pressure as the liquid volume decreased because of TVS operation. The TVS demonstrations with liquid oxygen pressurized with helium were conducted with three different fluid-mixer configurations-a submerged axial jet mixer, a pair of spray hoops in the tank ullage, and combined use of the axial jet and spray hoops. A submerged liquid pump and compact heat exchanger located inside the test tank were used with all the mixer configurations. The initial series without helium and the final series with liquid nitrogen both used the axial jet mixer. The axial jet configuration successfully demonstrated the ability to control tank pressure; but in the normal-gravity environment, the temperature in the upper tank region (ullage and unwetted wall) was not controlled. The spray hoops and axial jet combination also successfully demonstrated pressure control as well as temperature control of the entire tank and contents. The spray-hoops-only configuration was not expected to be a reliable means of tank mixing because there was no direct means to produce liquid circulation. However, surprisingly good results also were obtained with the sprayhoops- only configuration (i.e., performance metrics such as cycle-averaged vent flowrate were similar to those obtained with the other configurations). A simple thermodynamic model was developed that correctly predicted the TVS behavior (temperature rise or pressure drop per TVS cycle) when helium was present in the ullage. The model predictions were correlated over a range of input parameters. The correlations show that temperature rise or pressure drop per cycle was proportional to both helium mole fraction and tank heat input. The response also depended on the tank fill fraction: the temperature rise or pressure drop (per TVS cycle) increased as the ullage volume decreased.

Thermodynamic vent system↗
NASA NTRS1992

Computing Thermodynamics Of Cryostorage Tanks In Orbit

No-vent filling, boiloff, and other phenomena predicted. Cryogenic On-Orbit Liquid Analytical Tool (COOLANT) computer program developed to analyze thermodynamic processes required in maintaining and utilizing cryogen depot tank in microgravity environment. Code contains four major analysis modules, tank-geometry module, and data base of properties of fluids and other materials. COOLANT is modular, so algorithms and data bases upgraded and expanded as required. Written in FORTRAN 77.

Brown, N.↗
NASA NTRSDate not supplied

Open-source Numerical Modeling of Solidification Cracking Susceptibility: Application to Refractory Alloy Systems

Introduction. Alloys such as aluminum, nickel-base, and austenitic stainless steels are susceptible to solidification cracking during welding and 3D printing. Compositional optimization is one method used to effectively mitigate solidification cracking of those alloy systems. With the surge in hypersonic and in-space propulsion activities, refractory metals (Nb, Mo, Ta, W, and Re) and their alloy derivatives are increasing in importance due to their extreme high melting point and retention of high-temperature strength; however, their chemistry was most typically optimized to promote ductility during mechanical operations such as drawing and forming. Welding of such alloys has been a challenge due to a number of issues including solidification cracking, atmospheric contamination (O, C, and N), as well as a shift in ductile-to-brittle transition to higher temperature following grain growth induced by welding. Compositional optimization of refractory alloys for solidification cracking resistance in particular is desirable as their usage increases with the advent of advanced manufacturing methods such as 3D printing. This work evaluates the effect of compositional variation in refractory metal systems on the solidification cracking susceptibility with the goals of optimizing existing alloys and joining process techniques, and formulating new alloys with increased solidification cracking resistance. Experimental Procedures. A python code was developed in a Jupyter notebook environment (Michael and Sowards, 2023) to facilitate the calculation of crack susceptibility index proposed by Kou (2015). Composition is entered as a single point, or as a 1-D or 2-D array. The notebook calls pycalphad (Otis and Liu, 2017 and Bocklund et al, 2020) to calculate the evolution of fraction solid as a function of temperature (under either Scheil or equilibrium assumptions) and then evaluates steepness of the fraction solid curve near the terminal stage of solidification to predict solidification cracking resistance. Open source thermodynamic databases available at online repositories are used (van de Walle). The process is setup in an automated fashion to generate plots that show variation in solidification cracking susceptibility according to composition on 1-D line plots or 2-D contour plots. The Jupyter notebook and crack susceptibility algorithm was also integrated with a widely used commercial CALPHAD code for validation and alloy exploration. Results and Discussion. The crack susceptibility model was first validated against a series of refractory alloy compositions evaluated in past work which utilized a specialized Varestraint test built inside a vacuum chamber environment (Lessman and Gold, 1971). The alloys tested in the Varestraint apparatus included T-111 (Ta-8W-2Hf), ASTAR-811C (Ta-8W-1Re-0.7Hf-0.025C), FS-85 (Nb-27Ta-10W-1Zr), T-222 (Ta-9.6W-2.4Hf-0.01C), Ta-10W, B-66 (Nb-5Mo-5V-1Zr), and SCb-291 (Nb-10W-10Ta). The initial test of the model showed a strong correlation with empirical Varestraint data, i.e., a Spearman rank correlation between model predictions and hot cracking measurements was observed to be greater than 0.8. Following the validation, a set of refractory metal binary mixtures was investigated to evaluate sensitivity of Nb, Mo, W, and Ta to C, N, and O content. A series of plots were produced that suggest ppmw ranges of C, N, and O where solidification cracking increases significantly and reaches a maximum. Also comparative ranking of each primary refractory metal to each interstitial was produced. For example C produces greater cracking response in Mo whereas O produces greater cracking response in Ta and Nb. Such compositional values have utility in setting limits on pickup of these interstitial elements during welding and printing rather than using a one-size-fits-all approach. Furthermore, the results have use in determining additive powder recycling requirements, which is especially pertinent for refractory metal powders due to their high cost compared to conventional alloys. Another application created thousands of hypothetical alloys within the nominal specified composition range of two widely used refractory alloys C103 (Nb-10Hf-1Ti) and TZM (Mo-0.5Ti-0.1Zr). The cracking index was calculated for the alloys and results were fed into machine learning regression techniques including Multiple Linear Regression, Ridge Regression, and Lasso Regression to determine relative potency each alloying element had on computed solidification cracking index. A series of linear equations were produced that relate composition of C103 and TZM to solidification cracking index. The crack susceptibility of C103 for example is described by an equation of the form: cracking index ~ O + 0.667*C + 0.635*N + 0.00037*Ta – 0.0008*Hf (in wt.%) From that equation, it is clear that O has strong propensity to induce solidification cracking. Interestingly, Hf is shown to reduce calculated cracking response. Finally, realizing the potential of this method to discover new refractory alloy formulations across the period table that have low solidification cracking sensitivity, the code was applied to new untested alloy systems including W-Zr-C, W-Ta-C, and others. Conclusions. In summary, an open source numerical method has been developed using Python code to calculate Kou’s crack susceptibility index. The method was applied to refractory metals which are inherently difficult to study from a weldability testing standpoint since inert shielding gas is not sufficient and welding is typically done in vacuum, especially in light of findings presented here where oxygen has profound influence on solidification cracking. This work revealed the effect of compositional variations on a series of refractory metals and showed the framework defined here will be useful in 1) the development of new alloys that have improved weldability and 3D printability, 2) placing compositional limits on existing alloys, and 3) ensuring adequate controls of manufacturing processes such as 3D printing where powder reuse is critical. Keywords. pycalphad; Python; refractory metals; solidification cracking. References. B. Bocklund et. al. (2020) http://doi.org/10.5281/zenodo.3630657. S. Kou. (2015) https://doi.org/10.1016/j.actamat.2015.01.034. G.G. Lessmann and R.E. Gold. Welding Journal, issue 1, pp. 1-s – 8-s (1971). F.N. Michael and J.W. Sowards. NASA/TM-20230002218 (2023). R. Otis and Z.-K. Liu. (2017) http://doi.org/10.5334/jors.140. A. Van de Wallle et. al. (2018) https://doi.org/10.1016/j.calphad.2018.04.003.

pycalphad↗
NASA NTRS1972

Binary chromatographic data and estimation of adsorbent porosities

Data for the system n-pentane/n-heptane on porous Chromosorb-102 adsorbent were obtained at 150, 175, and 200 C for mixtures containing zero to 100% n-pentane by weight. Prior results showing limitations on superposition of pure component data to predict multicomponent chromatograms were verified. The thermodynamic parameter MR0 was found to be a linear function of sample composition. A nonporous adsorbent failed to separate the system because of large input sample dispersions. A proposed automated data processing scheme involving magnetic tape recording of the detector signals and processing by a minicomputer was rejected because of resolution limitations of the available a/d converters. Preliminary data on porosity and pore size distributions of the adsorbents were obtained.

Meisch, A. J.↗
NASA NTRS1981

Electrochemical models for the discharge characteristics of the nickel cadmium cell

The potential time characteristics of a preconditioned fully charged cell discharge at constant current was studied. Electrochemical principles applied to the sealed nickel cadmium cell and its behavior and to predict operating characteristics were described. A thermodynamic approach to arrive at several related but different equations and its discharge are reported.

Spritzer, M. S.↗
NASA NTRS1986

High-temperature effect of hydrogen on sintered alpha-silicon carbide

Sintered alpha-silicon carbide was exposed to pure, dry hydrogen at high temperatures for times up to 500 hr. Weight loss and corrosion were seen after 50 hr at temperatures as low as 1000 C. Corrosion of SiC by hydrogen produced grain boundary deterioration at 1100 C and a mixture of grain and grain boundary deterioration at 1300 C. Statistically significant strength reductions were seen in samples exposed to hydrogen for times greater than 50 hr and temperatures above 1100 C. Critical fracture origins were identified by fractography as either general grain boundary corrision at 1100 C or as corrosion pits at 1300 C. A maximum strength decrease of approximately 33 percent was seen at 1100 and 1300 C after 500 hr exposure to hydrogen. A computer assisted thermodynamic program was also used to predict possible reaction species of SiC and hydrogen.

Hallum, G. W.↗
NASA NTRS1988

Effect of high-temperature hydrogen exposure on sintered alpha-SiC

Sintered alpha-silicon carbide was exposed to pure, dry hydrogen at high temperatures for times up to 500 hr. Weight loss and corrosion were seen after 50 hr at temperatures as low as 1000 C. Corrosion of SiC by hydrogen produced grain boundary deterioration at 1100 C and a mixture of grain and grain boundary deterioration at 1300 C. Statistically significant strength reductions were seen in samples exposed to hydrogen for times greater than 50 hr and temperatures above 1100 C. Critical fracture origins were identified by fractography as either general grain boundary corrosion at 1100 C or as corrosion pits at 1300 C. A maximum strength decrease of approximately 33 percent was seen at 1100 and 1300 C after 500 hr exposure to hydrogen. A computer assisted thermodynamic program was also used to predict possible reaction species of SiC and hydrogen.

Hallum, Gary W.↗
NASA NTRS1992

HFAST - A harmonic analysis program for Stirling cycles

HFAST is a general-purpose third-order harmonic analysis and design program for predicting the cyclic-steady state thermodynamic performance of Stirling cycles. It represents the state-of-the-art results of years of research efforts at Mechanical Technology Inc. (MTI) in the development of Stirling cycle machines. The code has been extensively used at MTI to support the development of both free-piston and kinematic Stirling cycle machines. Lately, HFAST has undergone many major improvements, both in the analysis method and in the user's interface. This paper presents a brief description of the current analysis method used in HFAST.

Huang, S. C.↗
NASA NTRS1993

Chemical stability of titanium diboride reinforcement in nickel aluminide matrices

Chemical stability of TiB2 reinforcement in NiAl (45 at percent Al) and Ni3Al (24 at percent Al) matrices has been theoretically and experimentally investigated. Calculations were made using thermodynamic properties of the systems to predict behavior at temperatures between 1173 and 1573 K. Experimental investigation of hot-press consolidated TiB2 particulate/prealloyed matrix powder blends were conducted using energy dispersive X-ray analysis, XRD, AES, and TEM. The theoretical and experimental analyses suggest that TiB2 is chemically stable in both matrices up to 1573 K; however, TiB2 was found to be less active in NiAl than in Ni3Al due to lower nickel activity in NiAl.

Rigney, J. D.↗
NASA NTRS1994

Thermodynamic models for bounding pressurant mass requirements of cryogenic tanks

Thermodynamic models have been formulated to predict lower and upper bounds for the mass of pressurant gas required to pressurize a cryogenic tank and then expel liquid from the tank. Limiting conditions are based on either thermal equilibrium or zero energy exchange between the pressurant gas and initial tank contents. The models are independent of gravity level and allow specification of autogenous or non-condensible pressurants. Partial liquid fill levels may be specified for initial and final conditions. Model predictions are shown to successfully bound results from limited normal-gravity tests with condensable and non-condensable pressurant gases. Representative maximum collapse factor maps are presented for liquid hydrogen to show the effects of initial and final fill level on the range of pressurant gas requirements. Maximum collapse factors occur for partial expulsions with large final liquid fill fractions.

Vandresar, Neil T.↗
NASA NTRS1996

ATMOS Stratospheric Deuterated Water and Implications for Tropospheric-Stratospheric Transport

Measurements of the isotopic composition of stratospheric water by the ATMOS instrument are used to infer the convective history of stratospheric air. The average water vapor entering the stratosphere is found to be highly depleted of deuterium, with delta-D(sub w) of -670 +/- 80 (67% deuterium loss). Model calculations predict, however, that under conditions of thermodynamic equilibrium, dehydration to stratospheric mixing ratios should produce stronger depletion to delta-D(sub w) of -800 to 900 (80-90% deuterium loss). Deuterium enrichment of water vapor in ascending parcels can occur only in conditions of rapid convection; enrichments persisting into the stratosphere require that those conditions continue to near-tropopause altitudes. We conclude that either the predominant source of water vapor to the uppermost troposphere is enriched convective water, most likely evaporated cloud ice, or troposphere-stratosphere transport occurs closely associated with tropical deep convection.

Moyer, Elisabeth J.↗
NASA NTRS2001

Laser Powered Launch Vehicle Performance Analyses

The purpose of this study is to establish the technical ground for modeling the physics of laser powered pulse detonation phenomenon. Laser powered propulsion systems involve complex fluid dynamics, thermodynamics and radiative transfer processes. Successful predictions of the performance of laser powered launch vehicle concepts depend on the sophisticate models that reflects the underlying flow physics including the laser ray tracing the focusing, inverse Bremsstrahlung (IB) effects, finite-rate air chemistry, thermal non-equilibrium, plasma radiation and detonation wave propagation, etc. The proposed work will extend the base-line numerical model to an efficient design analysis tool. The proposed model is suitable for 3-D analysis using parallel computing methods.

Chen, Yen-Sen↗
NASA NTRS1961

Cavitation Performance of a Centrifugal Pump with Water and Mercury

The cavitation performance of a given centrifugal pump with water (hot and cold) and mercury is compared. It is found that there are significant scale effects with all fluids tested, with the Thoma cavitation parameter decreasing in all cases for increased pump speed or fluid Reynolds' number. The data for a fixed flow coefficient fall into a single curve when plotted against pump speed (or fluid velocity), rather than against Reynolds' number. Conversely, the Thoma parameter for a given Reynolds' number is approximately twice as large for mercury as for water. The direction of this variation is as predicted from consideration of the cavitation thermodynamic parameters which vary by a factor of 10(exp 7) between these fluids. No difference in cavitation performance between hot and cold water (approximately 160 F and 80 F) was observed, However, the thermodynamic parameters vary only by a factor of 5.

Hammitt, F. G.↗