Search NASA⌕ Search

SEARCH · Search NASA

Results for “mixture”

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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Using Neural Networks to Identify Mixture Components in Hyperspectral Reflectance Data

Neural networks have been employed to identify materials of interest from hyperspectral data (generally imagery) based on their unique spectral signatures. This approach assumes that there is a single material that is standing out from the rest of the spectrum to be identified. However, pixels often contain more than one material, or a material of interest may itself be a mixture of multiple materials. Neural networks are only as good as the data used to train them, and it takes a great deal of work in the laboratory to identify, make, and measure all potential mixtures of interest. Thus, researchers often calculate synthetic spectra using algorithms with varying degrees of fidelity to the physics that govern the interactions between light and multiple materials. In this work, we have (1) adapted a neural network designed to identify mixture components from Raman spectroscopy to work with visible to near‐infrared reflectance data and (2) tested three common mixture algorithms to determine the most accurate and least computationally expensive method to build synthetic training datasets. With our initial test dataset, we have achieved accuracies of > 90% and found that the synthetic training dataset produced using the Hapke mixture model provides the best results.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2026

Direct Simulations of H–He Mixtures at Planetary Interior Conditions: Demixing, Insulator–Metal Transition and Miscibility Boundaries

Accurate knowledge of the electrical and thermal conductivities and structural properties of hydrogen–helium mixtures under thermodynamic conditions within and beyond the immiscibility range is very important to predict the thermal evolution and internal structure of gas giant planets like Jupiter and Saturn. Here, we propose a novel method to determine the immiscibility boundary accurately without the need for free energy calculations, while providing consistent insights into structural and transport properties of mixtures. We show with direct large-scale ab initio simulations that the insulator–metal transition (IMT) of the hydrogen subsystem is strongly affected by an admixture with a small fraction of helium and occurs at temperatures significantly higher than those of pure hydrogen. At pressures below 150 GPa, the IMT boundary is not related anymore to the H 2 subsystem dissociation, the system remains insulating even after the full dissociation of H 2 molecules and its transition to an H–He mixture. The offset of the IMT in the H–He mixture relative to the dissociation region in the hydrogen subsystem and the significant reduction of static electrical and thermal conductivity by a factor between two and a few thousand relative to pure hydrogen found in mixtures have consequences for Jupiter and Saturn’s thermal evolution, internal structure, and dynamo action, affecting a large fraction of the interior of both planets.

Helium↗
DOE OSTI2025

Energy resolution and gain measurements in Argon-based gas mixtures: Exploring Ar:CF 4 for low energy measurements with TPCs

Time Projection Chambers (TPCs) are among the most advanced charged-particle detectors. Gas-filled TPCs have tracking capabilities that provide 3D-imaging of charged particles with a good energy resolution for spectroscopy. Different gas mixtures have different properties that determine the energy resolution as well as the spatial resolution. Therefore, optimization of operating conditions is required to simultaneously obtain adequate gain, energy resolution, spatial/track resolution, as well as higher drift velocities for high counting rates applications. Ar:CF 4 gas mixture has higher electron drift velocities and lower electron diffusion, which makes it an attractive candidate for TPC filling gas for low energy nuclear physics applications as compared to commonly used Ar:CH 4 and Ar:CO 2 gas mixtures, namely when tracking information is needed. However, other properties, including energy resolution and gain, remain largely unexplored in Ar:CF 4 especially at pressures and other operating conditions relevant for low-energy nuclear physics applications. Here, in this paper we report on gain and energy resolution measurements, using Gas Electron Multipliers (GEMs), in the less explored Ar:CF 4 mixture (Alfonsi et al., 2006), as well as in the more commonly used gas mixtures Ar:CH 4 and Ar:CO 2 . In addition to obtaining energy resolution and gain, we provide results from Garfield++ simulations for gain fluctuations, and their impact on energy resolution is discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Effect of particle shape on stratification in drying films of binary colloidal mixtures

The role of particle shape in evaporation-induced auto-stratification in polydisperse colloidal suspensions is explored with molecular dynamics simulations of mixtures of spheres and aspherical particles. A unified framework based on the competition between diffusion and diffusiophoresis is proposed to understand the effects of shape and size dispersity. In general, particles diffusing more slowly (e.g., larger particles) tend to accumulate more strongly at the evaporation front. However, larger particles have larger surface areas and therefore greater diffusiophoretic mobility. Hence, they are more likely to be driven away from the evaporation front via diffusiophoresis. For a rapidly dried bidisperse suspension containing small and large spheres, the competition leads to “small-on-top” stratification. Here, we employ a computational model in which the diffusion coefficient is inversely proportional to particle mass. For a mixture of spheres and aspherical particles with similar mass, the diffusion contrast is reduced, and the spheres are always enriched at the evaporation front as they have the smallest surface area for a given mass and, therefore, the lowest diffusiophoretic mobility. Furthermore, for a mixture of solid and hollow spheres that have the same outer radius and thus the same surface area, the diffusiophoretic contrast is suppressed, and the system is dominated by diffusion. Consequently, the solid spheres, which have a larger mass and diffuse more slowly, accumulate on top of the hollow spheres. Finally, for a mixture of thin disks and long rods that differ significantly in shape but have similar mass and surface area, both diffusion and diffusiophoresis contrasts are suppressed, and the mixture does not stratify.

Classical molecular dynamic simulations↗
DOE OSTI2024

A mixture of grass–legume cover crop species may ameliorate water stress in a changing climate

Climate change models predict increasing precipitation variability in the mid-latitude regions of Earth, generating a need to reduce the negative impacts of these changes on crop production. Despite considerable research on how cover crops support agriculture in a changing climate, understanding is limited of how climate change influences the growth of cover crops. We investigated the early development of two common cover crop species—crimson clover (Trifolium incarnatum) and rye (Secale cereale)—and hypothesized that growing them in the mixture would ameliorate stress from drought or waterlogging. This hypothesis was tested in a 25-day greenhouse experiment, where the two factors (species number and water stress) were fully crossed in randomized blocks, and plant responses were quantified through survival, growth rate, biomass production and root morphology. Water stress negatively influenced the early growth of these two species in contrasting ways: crimson clover was susceptible to drought while rye performed poorly under waterlogging. Per-plant biomass in rye was always greater in mixture than in monoculture, while per-plant biomass of crimson clover was greater in mixture under drought. Both species grew longer roots in mixture than in monoculture under drought, and total biomass of mixtures did not differ significantly from the more-productive monoculture (rye) in any water condition. In the face of increasingly variable precipitation, growing crimson clover and rye together has potential to ameliorate water stress, a possibility that should be further investigated in field experiments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Learning Molecular Mixture Property Using Chemistry-Aware Graph Neural Network

Recent advances in machine learning (ML) are expediting materials discovery and design. One significant challenge facing ML for materials is the expansive combinatorial space of potential materials formed by diverse constituents and their flexible configurations. This complexity is particularly evident in molecular mixtures, a frequently explored space for materials, such as battery electrolytes. Owing to the complex structures of molecules and the sequence-independent nature of mixtures, conventional ML methods have difficulties in modeling such systems. Here, we present MolSets, a specialized ML model for molecular mixtures, to overcome the difficulties. Representing individual molecules as graphs and their mixture as a set, MolSets leverages a graph neural network and the deep sets architecture to extract information at the molecular level and aggregate it at the mixture level, thus addressing local complexity while retaining global flexibility. We demonstrate the efficacy of MolSets in predicting the conductivity of lithium battery electrolytes and highlight its benefits in the virtual screening of the combinatorial chemical space. Published by the American Physical Society 2024

Zhang, Hengrui (ORCID:0000000231831654)↗
DOE OSTI2025

Finch: Toxicity Dose Response Curve Prediction of Chemical Compounds and Mixtures

A paradigm shift in chemical risk assessment is emphasizing mixture testing over single compound analysis, eliminating animal testing, and adopting advanced modeling approaches to understand mixture activity profiles. However, existing computational models largely focus on single chemicals, with few effective solutions for modeling complex mixtures that account for synergistic or antagonistic effects and multiple Modes of Action (MoA). Conventional methods like concentration addition (CA) and independent action (IA) are insufficient for this task as they are designed for simplistic interactions and struggle to account for the dynamic and multifaceted nature of chemical mixtures, such as overlapping MoA and non-linear interactions. Finch offers a novel approach utilizing deep learning (DL) embeddings and multi-task quantitative structure-activity relationship (QSAR) models to improve chemical exposure prediction. By leveraging molecular descriptors, physiochemical properties, and large language model (LLM) embeddings from SMILES inputs, Finch preserves critical information in a latent space thereby enhancing predictive accuracy. The multi-task learning aspect of Finch is highly advantageous, as it simultaneously optimizes multiple loss functions, leveraging all available data across tasks to develop generalized representations that effectively capture complex ingredient interactions within mixtures.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1973

A fluidic device for measuring constituent masses of a flowing binary gas mixture

A continuous reading mass flow device was developed to measure the component flow of a binary gas mixture. The basic components of the device are a fluidic humidity sensor and a specially designed flow calorimeter. These components provide readings of gas mixture ratio, mixture heat capacity, heat dissipated by the calorimeter and the gas temperature rise across the calorimeter. These parameter values, applied in the general definitions of specific heat capacity and the heat capacity of a gas mixture, produce calculated component flow rates of the mixture being metered. A test program was conducted to evaluate both the steady state and dynamic performance of the device.

Prokopius, P. R.↗
NASA NTRS1979

On matching the spectrum of Io - Variations in the photometric properties of sulfur-containing mixtures

The problem of comparing laboratory spectra of sulfur-containing binary mixtures with the spectrum of Io is discussed. For the satellite, the observable is the geometric albedo as a function of wavelength, whereas in the laboratory one often measures some other type of albedo. A previous paper demonstrated that for pure sulfur the multiplicative factor which converts the laboratory albedos to geometric albedos can be strongly wavelength dependent. The present paper demonstrates that this is also true for binary sulfur-containing mixtures. Furthermore, there is no universal conversion factor applicable to all binary mixtures, nor can the factor be interpolated for a particular mixture from the conversion factors of the two end members. The conversion factor is a function not only of the specific composition of a binary mixture but also of the relative particle size distributions of the two components, and must be measured specifically for each individual sample if a quantitative comparison between a laboratory sample and Io's surface is desired.

Veverka, J.↗
NASA NTRS1982

Mixture densities, maximum likelihood, and the EM algorithm

The problem of estimating the parameters which determine a mixture density is reviewed as well as maximum likelihood estimation for it. A particular iterative procedure for numerically approximating maximum likelihood estimates for mixture density problems is considered. This EM algorithm, is a specialization to the mixture density context of a general algorithm of the same name used to approximate maximum likelihood estimates for incomplete data problems. The formulation and theoretical and practical properties of the EM algorithm for mixture densities are discussed focussing in particular on mixtures of densities from exponential families.

Redner, R. A.↗
NASA NTRS1987

Deconvolution of spectra for intimate mixtures

Visible to near infrared reflectance spectra of macroscopic mixtures have been shown to be linear combinations of the reflections of the pure mineral components in the mixture. However, for microscopic mixtures the mixing systematics are in general nonlinear. The systematics may be linearized by conversion of reflectance to single scattering albedo (w), where the equations which relate reflectance to w depend on the method of data collection. Several proposed mixing models may be used to estimate mineral abundances from the reflectance spectra of intimate mixtures. These models are summarized and a revised model is presented. A noniterative (linear) least squares approach was used for curve fitting and the data, measured as bi-directional reflectance with incidence and emergence angles of 30 and 0 deg were converted to w by a simplified version of Hapke's equation for bi-directional reflectance. This model was tested with two mixture series composed of 45 to 75 micron particles: an anorthite-enstatite series and an olivine-magnetite series. The data indicate that the simplified Hapke's equation may be used to convolve reflectance spectra into mineral abundances if appropriate endmembers are known or derived from other techniques. For surfaces that contain a significant component of very low albedo material, a somewhat modified version of this technique will need to be developed. Since the abundances are calculated using a noniterative approach, the application of this method is especially efficient for large spectral data sets, such as those produced by mapping spectrometers.

Mustard, John F.↗
NASA NTRS1991

Combustion of unsupported methanol/dodecanol mixture droplets at low gravity

Experiments are reported on the combustion of free or unsupported methanol/dodecanol mixture droplets in a reduced gravity environment. The experiments were conducted in a drop tower. The Grashof number (based on drop diameter) in the moving frame of reference was on the order of 10 exp -5 for the period of droplet burning. Combustion of the mixture droplets was characterized by a multi-stage process indicative of diffusion controlled burning. The flame was not visible during the first stage because of the lighting used, but was visible (and spherical) in the final stage. The results suggested that the mixture droplets did not extinguish. By contrast, methanol droplets consistently extinguished. Microexplosions were not observed for mixtures with initial concentrations of equal volumes of methanol and dodecanol. However, most of the droplets containing initially 75 percent (by volume) of methanol exploded. The initiation of microexplosion, as defined by the occurrence of homogeneous nucleation within the droplet, is explained by comparing the calculated nonlinear variation of superheat limit with composition for a methanol/dodecanol mixture with the boiling point of dodecanol.

Yang, J. C.↗
NASA NTRS1993

COP improvement of refrigerator/freezers, air-conditioners, and heat pumps using nonazeotropic refrigerant mixtures

With the February, 1992 announcement by President Bush to move the deadline for outlawing CFC (chloro-fluoro-carbon) refrigerants from the year 2000 to the year 1996, the refrigeration and air-conditioning industries have been accelerating their efforts to find alternative refrigerants. Many of the alternative refrigerants being evaluated require synthetic lubricants, are less efficient, and have toxicity problems. One option to developing new, alternative refrigerants is to combine existing non-CFC refrigerants to form a nonazeotropic mixture, with the concentration optimized for the given application so that system COP (Coefficient Of Performance) may be maintained or even improved. This paper will discuss the dilemma that industry is facing regarding CFC phase-out and the problems associated with CFC alternatives presently under development. A definition of nonazeotropic mixtures will be provided, and the characteristics and COP benefits of nonazeotropic refrigerant mixtures will be explained using thermodynamic principles. Limitations and disadvantages of nonazeotropic mixtures will be discussed, and example systems using such mixtures will be reviewed.

Westra, Douglas G.↗
NASA NTRS1996

Marangoni Effects in the Boiling of Binary Fluid Mixtures

Results of very recent experimental studies indicate that during nucleate boiling in some binary mixture, Marangoni effects augment the gravity driven flow of liquid towards the heated surface. With gravity present, it is impossible to separate the two effects. The reduced gravity environment gives an unique opportunity to explore th role of Marangoni effects on the boiling mechanisms free of gravitational body forces that obscure the role of such effects. However, recent experimental results suggest that under reduced gravity conditions, Marangoni effects is the dominant mechanism of vapor-liquid exchange at the surface for some binary mixture. To further explore such effects, experiments have been conducted with water/2-propanol mixtures at three different concentrations under normal gravity with different orientations of the heater surface and under reduce gravity aboard the DC-9 aircraft at NASA Lewis Research Center. The system pressure was sub atmospheric (approx. 8 kP at 1g(n)) and the bulk liquid temperature varied from low subcooling to near saturation. The molar concentrations of 2-propanol tested were 0.015, 0.025, and 0.1. Boiling curves were obtained both for high gravity (approx. 2g(n)) and reduce gravity (approx. 0.01g(n)). For each concentration of 2-propanol, the critical heat flux has been determined in the flight experiments only for reduced gravity conditions. Comparison of boiling curves and CHF obtained under l-g(n) an reduced gravity indicates that boiling mechanism in this mixtures is nearly independent of gravity. The results also indicate that the Marangoni mechanism is strong enough in these mixtures to sustain the boiling under reduced gravity conditions.

Ahmed, Sayeed↗
NASA NTRS1996

Polymer-Induced Depletion Interaction and Its Effect on Colloidal Sedimentation in Colloid-Polymer Mixtures

In this paper we focus on the polymer-induced depletion attraction and its effect on colloidal sedimentation in colloid-polymer mixtures. We first report a small angle neutron scattering (SANS) study of the depletion effect in a mixture of hard-sphere-like colloid and non-adsorbing polymer. Then we present results of our recent sedimentation measurements in the same colloid-polymer mixture. A key parameter in controlling the sedimentation of heavy colloidal particles is the interparticle potential U(tau), which is the work required to bring two colloidal particles from infinity to a distance tau under a give solvent condition. This potential is known to affect the average settling velocity of the particles and experimentally one needs to have a way to continuously vary U(tau) in order to test the theory. The interaction potential U(tau) can be altered by adding polymer molecules into the colloidal suspension. In a mixture of colloid and non-adsorbing polymer, the potential U(tau) can develop an attractive well because of the depletion effect, in that the polymer chains are expelled from the region between two colloidal particles when their surface separation becomes smaller than the size of the polymer chains. The exclusion of polymer molecules from the space between the colloidal particles leads to an unbalanced osmotic pressure difference pushing the colloidal particles together, which results in an effective attraction between the two colloidal particles. The polymer-induced depletion attraction controls the phase stability of many colloid-polymer mixtures, which are directly of interest to industry.

Tong, Penger↗
NASA NTRS1997

A Modified Linear-Mixing Method for Calculating Atmospheric Path Radiances of Aerosol Mixtures

The top-of-atmosphere (TOA) path radiance generated by an aerosol mixture can be synthesized by linearly adding the contributions of the individual aerosol components, weighted by their fractional optical depths. The method, known as linear mixing, is exact in the single-scattering limit. When multiple scattering is significant, the method reproduces the atmospheric path radiance of the mixture with less than 3% errors for weakly absorbing aerosols up to optical thickness of 0.5. However, when strongly absorbing aerosols are included in the mixture, the errors are much larger. This is due to neglecting the effect of multiple interactions between the aerosol components, especially when the values of the single-scattering albedos of these components are so different that the parameter epsilon = (Sigma)f(sub i) absolute value of bar omega(sub i) - bar omega(sub mix)/bar omega(sub i), is larger than approx. 0.1, where bar omega(sub i) and f(sub i) are the single-scattering albedo and the fractional abundance of the i th component, and bar omega(sub i) is the effective single-scattering albedo of the mixture. We describe an empirical, modified linear-mixing method which effectively accounts for the multiple interactions between aerosol components. The modified and standard methods are identical when epsilon = 0.0 and give similar results when epsilon less than or equal to 0.05. For optical depths larger than approx. 0.5, or when epsilon greater than 0.05, only the modified method can reproduce the radiances within 5% error for common aerosol types up to optical thickness of 2.0. Because this method facilitates efficient and accurate atmospheric path radiance calculations for mixtures of a wide variety of aerosol types, it will be used as part of the aerosol retrieval methodology for the Earth Observing System (EOS) multiangle imaging spectroradiometer (MISR), scheduled for launch into polar orbit in 1998.

Abdou, W. A.↗
NASA NTRS1997

A Modified Linear-Mixing Method for Calculating Atmospheric Path Radiances of Aerosol Mixtures

The top-of-atmosphere (TOA) path radiance generated by an aerosol mixture can be synthesized by linearly adding the contributions of the individual aerosol components, weighted by their fractional optical depths. The method, known as linear mixing, is exact in the single-scattering limit. When multiple scattering is significant, the method reproduces the atmospheric path radiance of the mixture with less than 3% errors for weakly absorbing aerosols up to optical thickness of 0.5. However, when strongly absorbing aerosols are included in the mixture, the errors are much larger. This is due to neglecting the effect of multiple interactions between the aerosol components, especially when the values of the single-scattering albedos of these components are so different that the parameter e = the sum of f(sub i)[(bar)omega(sub i) - (bar)omega(sub mix)]/(bar)omega(sub i) is larger than approximately 0.1, where (bar)omega(sub i)and f(sub i) are the single-scattering albedo and the fractional abundance of the ith component, and (bar)omega(sub mix) is the effective single-scattering albedo of the Mixture. We describe an empirical, modified linear-mixing method which effectively accounts for the multiple interactions between aerosol components. The modified and standard methods are identical when epsilon = 0.0 and give similar results when epsilon is less than or equal to 0.05. For optical depths larger than approximately 0.5, or when epsilon is greater than 0.05, only the modified method can reproduce the radiances within 5% error for common aerosol types up to optical thickness of 2.0. Because this method facilitates efficient and accurate atmospheric path radiance calculations for mixtures of a wide variety of aerosol types, it will be used as part of the aerosol retrieval methodology for the Earth Observing System (EOS) multiangle imaging spectroradiometer (MISR), scheduled for launch into polar orbit in 1998.

Abdou, W. A.↗
NASA NTRS2002

Optical Properties of Thin Film Molecular Mixtures

Thin films composed of molecular mixtures of metal and dielectric are being considered for use as solar selective coatings for a variety of space power applications. By controlling the degree of molecular mixing, the solar selective coatings can be tailored to have the combined properties of high solar absorptance, alpha, and low infrared emittance, epsilon. On orbit, these combined properties would simultaneously maximize the amount of solar energy captured by the coating and minimize the amount of thermal energy radiated. Mini-satellites equipped with solar collectors coated with these cermet coatings may utilize the captured heat energy to power a heat engine to generate electricity, or to power a thermal bus that directs heat to remote regions of the spacecraft. Early work in this area identified the theoretical boundary conditions needed to operate a Carnot cycle in space, including the need for a solar concentrator, a solar selective coating at the heat inlet of the engine, and a radiator. A solar concentrator that can concentrate sunlight by a factor of 100 is ideal. At lower values, the temperature of the solar absorbing surface becomes too low for efficient heat engine operation, and at higher values, cavity type heat receivers become attractive. In designing the solar selective coating, the wavelength region yielding high solar absorptance must be separated from the wavelength region yielding low infrared emittance by establishing a sharp transition in optical properties. In particular, a sharp transition in reflectance is desired in the infrared to achieve the desired optical performance. For a heat engine operating at 450C, a sharp transition at 1.8 micrometers is desired. The radiator completes the heat flow through the Carnot cycle. Additional work has been done supporting the use of molecular mixtures for terrestrial applications. Sputter deposition provides a means to apply coatings to the tubes that carry a working fluid at the focus of trough-style collectors. Sputtering offers considerable flexibility in coating conditions, including a wide variety of metal and dielectric targets. Coating designs range from simple two or three layer coatings to complex coatings that are purposely graded to be metal-rich at their base and oxide-rich at their surface in order to yield the desired solar selective properties. In these cermet coatings, molecular islands of metal are thought to be embedded in a three dimensional matrix of dielectric. Recent work has identified the use of custom made ion beam sputter deposition targets to produce coatings containing molecular mixtures of metal and dielectric. The targets are cylindrical and the surface consists of a gradually changing composition of metal and dielectric. Rotating the cylinder under the beam during ion beam sputter deposition yields a coating that is a molecular mixture of metal and dielectric, with the composition changing through the thickness of the coating. The optical properties of these coatings are not only dependent on their thickness and chemical composition, but are also dependent on the extent of the through thickness gradient established during deposition. This paper presents a summary of the optical properties of several thin film molecular mixtures designed as solar selective coatings. Optical performance is first identified as a function of wavelength, from the ultraviolet to the visible and infrared. Coating composition, thickness, and gradient from metal to dielectric also play an important role. Additional work for future activities is also identified.

Jaworske, Donald A.↗