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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Effects of Buoyancy on Laminar and Turbulent Premixed V-Flame

Turbulent combustion occurs naturally in almost all combustion systems and involves complex dynamic coupling of chemical and fluid mechanical processes. It is considered as one of the most challenging combustion research problems today. Though buoyancy has little effect on power generating systems operating under high pressures (e.g., IC engines and turbines), flames in atmospheric burners and the operation of small to medium furnaces and boilers are profoundly affected by buoyancy. Changes in burner orientation impacts on their blow-off, flash-back and extinction limits, and their range of operation, burning rate, heat transfer, and emissions. Theoretically, buoyancy is often neglected in turbulent combustion models. Yet the modeling results are routinely compared with experiments of open laboratory flames that are obviously affected by buoyancy. This inconsistency is an obstacle to reconciling experiments and theories. Consequently, a fundamental understanding of the coupling between turbulent flames and buoyancy is significant to both turbulent combustion science and applications. The overall effect of buoyancy relates to the dynamic interaction between the flame and its surrounding, i.e., the so-called elliptical problem. The overall flame shape, its flowfield, stability, and mean and local burning rates are dictated by both upstream and downstream boundary conditions. In steady propagating premixed flames, buoyancy affects the products region downstream of the flame zone. These effects are manifested upstream through the mean and fluctuating pressure fields to influence flame stretch and flame wrinkling. Intuitively, the effects buoyancy should diminish with increasing flow momentum. This is the justification for excluding buoyancy in turbulent combustion models that treats high Reynolds number flows. The objectives of our experimental research program is to elucidate flame-buoyancy coupling processes in laminar and turbulent premixed flames, and to characterize microgravity (micro g) premixed flames. The results are used to derive appropriate scaling parameters for guiding the development of theoretical models to include the effects of buoyancy. Knowledge gain from the analysis will also contribute to further understanding of the elliptical nature of premixed flames. Our current emphasis is to examine the momentum limit above which the effects of buoyancy would become insignificant. This is accomplished by comparing the flowfields and the mean properties of normal gravity flames (+g), and reversed gravity flames (-g, up-side-down flames) at different flow velocities and turbulence intensities. Microgravity (micro g) flames experiments provide the key reference data to reconcile the differences between flames in +g and -g. As flame configuration has significant impact on premixed flames characteristics we have studied axi-symmetric conical flames and plane-symmetric rod-stabilized v-flames. The two configurations produce distinct features that dictates how the flames couple with buoyancy. In a conical flame, the hot products plume completely envelopes the flame cone and shields the flame from direct interaction with the ambient air. The plume originates at the burner rim and generates a divergent flowfield. In comparison, the products region of v-flames forms between the twin flame sheets and it is convergent towards the center-plane. Interaction with ambient air is limited to the two end regions of the stabilized rod and beyond the flame sheets.

Cheng, Robert K.↗
DOE OSTI2025

Review: Recent advances of ToF-SIMS for environmental analysis and imaging

Background: Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a powerful surface analysis technique, initially developed and applied in inorganic materials and semiconductors. In past decades, ToF-SIMS has attracted more attention in its analysis capabilities of organic materials, with increased applications in biology, medical, and health development. It has also become a versatile and effective tool in environmental analysis due to its high mass resolution, mass accuracy, and depth profiling. Results: In this review, we first give an overview of the principle of ToF-SIMS and follow with recent ToF-SIMS applications in exemplary environmental study cases, including atmospheric aerosol, soil, water, plant, and organic solvent analysis. Moreover, sample preparation techniques are summarized in relation to corresponding environmental applications. Specifically, we call attention to ToF-SIMS investigations showcasing studies in surface chemical compositions, images, and depth profile analysis. These findings emphasize the important role of interfacial chemistry in environmental processes and provide valuable insights into dynamic processes, such as chemical transformation, particle formation, plant biology, and microbial inspired biotechnology development. The mass spectral imaging results acquired by ToF-SIMS offer a deeper understanding of intermediate stages and transient phases for environmental specimens. Significance: In situ and operando imaging offer new possibilities in studying phenomena in real time with high spatial resolution. Furthermore, it is anticipated that more research groups will use ToF-SIMS in environmental research given recent advances in measurement capabilities and surging needs in chemical mapping of complex analytes and systems.

Aerosol↗
DOE OSTI2025

Mesoscale Modeling Approach for Quantifying Microstructure-Aware Micromechanical Responses in Metal Hydrides

Metal hydrides can undergo significant volume changes upon hydrogen uptake and release, which induce a mechanical response that depends not only on the evolving hydrogen composition but also on the microstructure. We present a comprehensive mesoscale modeling framework based on microelasticity theory to quantify the micromechanical responses of metal hydrides, specifically focusing on a hydrogenating polycrystalline MgH 2x particle within a host material as a model micromechanical system. Utilizing digitally generated realistic microstructures and density-functional-theory-derived parameters, we analyzed highly nonuniform local stress profiles in the polycrystalline hydrides under the clamping force exerted by the host during hydrogenation. Our framework also allows us to predict the corresponding strain energy accumulation and mechanical hot spots formation in the hydrides, highlighting their roles in thermodynamic destabilization and mechanical failure, respectively. Through extensive parametric simulations, we further quantified the influence of interface type, crystallinity, grain size, loading ratio, and host stiffness, providing practical guidance for optimizing microstructural design and host material selection. This proposed approach is broadly applicable to micromechanical systems with complex microstructural features involving chemical reaction- and/or phase-transformation-induced deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Autonomous adaptive data acquisition for scanning hyperspectral imaging

Non-invasive and label-free spectral microscopy (spectromicroscopy) techniques can provide quantitative biochemical information complementary to genomic sequencing, transcriptomic profiling, and proteomic analyses. However, spectromicroscopy techniques generate high-dimensional data; acquisition of a single spectral image can range from tens of minutes to hours, depending on the desired spatial resolution and the image size. This substantially limits the timescales of observable transient biological processes. To address this challenge and move spectromicroscopy towards efficient real-time spatiochemical imaging, we developed a grid-less autonomous adaptive sampling method. Our method substantially decreases image acquisition time while increasing sampling density in regions of steeper physico-chemical gradients. When implemented with scanning Fourier Transform infrared spectromicroscopy experiments, this grid-less adaptive sampling approach outperformed standard uniform grid sampling in a two-component chemical model system and in a complex biological sample, Caenorhabditis elegans. We quantitatively and qualitatively assess the efficiency of data acquisition using performance metrics and multivariate infrared spectral analysis, respectively.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Interface engineering of phase separation in SrRuO 3 /SrTiO 3 hybrid superlattices

Most observed phase separation phenomena in complex oxides occur in systems with chemical dopants or structural defects, and theories have established the strong connection between phase separation and the random distribution of chemical dopants. Recent experiments on fabricated high-quality oxide superlattices also confirmed that the phase separation is suppressed in the clean systems without chemical disorders. Thus far, phase separation in strongly correlated oxides without the need of chemical dopants or structural defects has not been fully demonstrated. Here, we have built chemically ordered hybrid superlattices using prototypical SrRuO 3 and SrTiO 3 perovskite oxides. Contrary to previous understandings, we observe phase separation of two magnetic phases with different spin easy axes. We elucidate this phenomenon through first-principles calculations that the hybrid superlattices have a spontaneous structural instability, leading to a coexistence of ferromagnetic and antiferromagnetic phases. In this work, our findings provide an alternative pathway other than chemical doping to introduce phase separation in correlated oxides and imply that phase separation can exist in clean systems without the need of chemical disorders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1989

The case for planetary sample return missions. 2. History of Mars

Principal science goals for exploration of Mars are to establish the chemical, isotopic, and physical state of Martian material, the nature of major surface-forming processes and their time scales, and the past and present biological potential of the planet. Many of those goals can only be met by detailed analyses of atmospheric gases and carefully selected samples of fresh rocks, weathered rocks, soils, sediments, and ices. The high-fidelity mineral separations, complex chemical treatments, and ultrasensitive instrument systems required for key measurements, as well as the need to adapt analytical strategies to unanticipated results, point to Earth-based laboratory analyses on returned Martian samples as the best means for meeting the stated objectives.

NASA Center ARC↗
NASA NTRSDate not supplied

Integrated In-Situ Resource Utilization Modeling of a Lunar Water Processing System

A key element of achieving a sustained surface presence, such as defined in NASA’s Artemis plan, is In-Situ Resource Utilization (ISRU). ISRU is the practice of using local resources to provide mission consumables that reduce system launch mass requirements, and regenerate resources (chiefly, water and oxygen) for propulsion and life support supporting both Lunar and Martian missions. ISRU systems require multiple complex processes, such as excavation, chemical reactors, and electrolysis subsystems that must operate in harmony to optimize the overall system process from beginning to end. The Mission Analysis and Integration Tool (MAIT) connects individual subsystem models into a customized, flexible framework for the purpose of technology downselect, optimization, and end-to-end process planning. MATLAB was favorable to use as the main software integration tool due to its ability to communicate with a vast number of other programming languages and makes up the backbone of data flow between inputs and outputs to the subsystem models. MAIT initially evaluated a suite of technologies, including but not limited to, the water processing Lunar Auger Dryer for ISRU (LADI) system and an oxygen extraction carbothermal reduction process. With individual models consolidated, the MAIT tool generated over 60,000 cases during its parametric sweeps; these system iterations produced valuable insight into the optimal LADI geometry for minimizing heater energy demands, estimating carbothermal reactor and radiator mass relationships, and calculated the power dynamics of the electrolysis unit. Efforts to update the MAIT tool are ongoing to accommodate and scale ISRU technologies supporting the Space Technology Mission Directorate’s (STMD) commercialization strategy, and increase the MAIT software capability to handle a wide array of ISRU system models beyond the Lunar environment, e.g. production of propellant for a Martian lander.

Avery Carlson↗
NASA NTRSDate not supplied

In-Situ Resource Utilization Modeling of a Lunar Water Processing System

A key element of achieving a sustained surface presence, such as defined in NASA’s Artemis plan, is In-Situ Resource Utilization (ISRU). ISRU is the practice of using local resources to provide mission consumables that reduce system launch mass requirements, and regenerate resources (chiefly, water and oxygen) for propulsion and life support supporting both Lunar and Martian missions. ISRU systems require multiple complex processes, such as excavation, chemical reactors, and electrolysis subsystems that must operate in harmony to optimize the overall system process from beginning to end. The Mission Analysis and Integration Tool (MAIT) was previously developed with MATLAB in FY22 to connect individual subsystem models into a customized, flexible framework for the purpose of technology downselect, optimization, and end-to-end process planning. Beginning in FY24, MAIT was leveraged and evolved using MATLAB/Simulink due to its ability to communicate with a vast number of other programming languages and makes up the backbone of data flow between inputs and outputs to the subsystem models. MAIT initially evaluated a suite of ISRU-related technologies, including the water processing Lunar Auger Dryer for ISRU (LADI) system with integrated upstream excavation and downstream electrolysis subsystems. With individual models consolidated, the MAIT tool generated over 60,000 cases during its parametric sweeps; these system iterations produced valuable insight into the optimal LADI geometry for minimizing energy demands, estimating carbothermal reactor and radiator mass relationships, and calculated the power dynamics of the electrolysis unit. Advanced efforts with advanced models will include examining multiple production targets to demonstrate the ability to scale ISRU technologies supporting the Space Technology Mission Directorate’s (STMD) commercialization strategy, and increase the MAIT software capability to handle a wide array of ISRU system models beyond the Lunar environment, e.g. production of propellant for a Martian lander.

Avery Carlson↗
NASA NTRSDate not supplied

In-Situ Resource Utilization Modeling of a Lunar Water Processing System

A key element of achieving a sustained surface presence, such as defined in NASA’s Artemis plan, is In-Situ Resource Utilization (ISRU). ISRU is the practice of using local resources to provide mission consumables that reduce system launch mass requirements, and regenerate resources (chiefly, water and oxygen) for propulsion and life support supporting both Lunar and Martian missions. ISRU systems require multiple complex processes, such as excavation, chemical reactors, and electrolysis subsystems that must operate in harmony to optimize the overall system process from beginning to end. The Mission Analysis and Integration Tool (MAIT) was previously developed with MATLAB in FY22 to connect individual subsystem models into a customized, flexible framework for the purpose of technology downselect, optimization, and end-to-end process planning. Beginning in FY24, MAIT was updated and became the capital program in the Systems Engineering and Integration (SE&I) ISRU Modeling and Analysis (SIMA) project. Prior work was leveraged and evolved using MATLAB/Simulink due to its ability to communicate with a vast number of other programming languages and makes up the backbone of data flow between inputs and outputs to the subsystem models. MAIT initially evaluated a suite of ISRU-related technologies, including the water processing Lunar Auger Dryer for ISRU (LADI) system with integrated upstream excavation and downstream electrolysis subsystems. With individual models consolidated, the MAIT tool generated over 5,000 cases during its first round of parametric sweeps on the water processing architecture at multiple production targets; the system analysis produced valuable insight into the optimal LADI geometry that minimized energy demands, estimated effects to cold trap size and radiator requirements, and calculated the power dynamics of the electrolysis unit and liquid oxygen storage volume. Additional efforts are being made to demonstrate the ability to scale ISRU technologies supporting the Space Technology Mission Directorate’s (STMD) commercialization strategy and increase the MAIT software capability. Work is ongoing to handle a wide array of ISRU system models beyond the Lunar environment, e.g. production of propellant for a Martian lander.

Avery Carlson↗
NASA NTRSDate not supplied

In-Situ Resource Utilization Modeling of a Lunar Water Processing System

A key element of achieving a sustained surface presence, such as defined in NASA’s Artemis plan, is In-Situ Resource Utilization (ISRU). ISRU is the practice of using local resources to provide mission consumables that reduce system launch mass requirements, and regenerate resources (chiefly, water and oxygen) for propulsion and life support supporting both Lunar and Martian missions. ISRU systems require multiple complex processes, such as excavation, chemical reactors, and electrolysis subsystems that must operate in harmony to optimize the overall system process from beginning to end. The Mission Analysis and Integration Tool (MAIT) was previously developed with MATLAB in FY22 to connect individual subsystem models into a customized, flexible framework for the purpose of technology downselect, optimization, and end-to-end process planning. Beginning in FY24, MAIT was updated and became the capital program in the Systems Engineering and Integration (SE&I) ISRU Modeling and Analysis (SIMA) project. Prior work was leveraged and evolved using MATLAB/Simulink due to its ability to communicate with a vast number of other programming languages and makes up the backbone of data flow between inputs and outputs to the subsystem models. MAIT initially evaluated a suite of ISRU-related technologies, including the water processing Lunar Auger Dryer for ISRU (LADI) system with integrated upstream excavation and downstream electrolysis subsystems. With individual models consolidated, the MAIT tool generated over 5,000 cases during its first round of parametric sweeps on the water processing architecture at multiple production targets; the system analysis produced valuable insight into the optimal LADI geometry that minimized energy demands, estimated effects to cold trap size and radiator requirements, and calculated the power dynamics of the electrolysis unit and liquid oxygen storage volume. Additional efforts are being made to demonstrate the ability to scale ISRU technologies supporting the Space Technology Mission Directorate’s (STMD) commercialization strategy and increase the MAIT software capability. Work is ongoing to handle a wide array of ISRU system models beyond the Lunar environment, e.g. production of propellant for a Martian lander.

Avery Carlson↗
DOE OSTI2022

Reversible Methanolation of Metal Halide Perovskites

The low formation energies inherent in metal halide perovskites enable the structure to be easily broken and remade with little energy input. In this work, we leverage low formation energy to demonstrate 0D/3D structural transformations induced by reversible intercalation of methanol to yield dramatic control of visible light absorption. We identify a methanolated structure that features sheets of 0D isolated [PbI6]4- octahedra separated by MAI and methanol. Methanol and water reversibly displace each other in the 0D complex by controlling the chemical potential of the system via Le Chatelier's principle. The weaker H-bonding of methanol compared to water effectively reduces the complex dissociation temperature from 70 to 50 degrees C, rendering the methanol complex more desirable for an array of next-generation applications spanning low-power-consumption memory to switchable photovoltaics.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Combined Raman and Turbidity Probe for Real-Time Analysis of Variable Turbidity Streams

We know that real-time and in situ process monitoring is a powerful tool that can empower operators of hazardous processes to better understand and control their chemical systems without increased risk to themselves. However, applying monitoring techniques to complex chemical processes can face challenges. An example of this is the application of optical spectroscopy, otherwise capable of providing detailed chemical composition information, to processes exhibiting variable turbidity. Here, details on a novel combined Raman spectroscopy and turbidimetry probe are discussed. Furthermore, the analytical approach to accurately account for both Raman signal and turbidity while quantifying chemical targets is detailed. Through leveraging Raman and turbidity data simultaneously collected from the combined probe within chemometric models, accurate quantification of multiple chemical targets can be achieved under conditions of variable concentrations and turbidity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Overview of Aerosol Distribution

Our knowledge of atmospheric aerosols (smoke, pollution, dust or sea salt particles, small enough to be suspended in the air), their evolution, composition, variability in space and time and interaction with clouds and precipitation is still lacking despite decades of research. Understanding the global aerosol system is fundamental for progress in climate change and hydrological cycle research. While a single instrument was used to demonstrate 50 years ago that the global CO2 levels are rising, posing threat of global warming, we need an array of satellites and field measurements coupled with chemical transport models to understand the global aerosol system. This complexity of the aerosol problem results from their short lifetime (1 week) and variable chemical composition. A new generation of satellites provides exciting opportunities to measure the global distribution of aerosols, distinguishing natural from anthropogenic aerosol and measuring their interaction with clouds and climate. I shall discuss these topics and application of the data to air quality monitoring.

Kaufman, Yoram↗
NASA NTRS2006

Satellite Observations of the Effect of Natural and Anthropogenic Aerosols on Clouds

Our knowledge of atmospheric aerosols (smoke, pollution, dust or sea salt particles, small enough to be suspended in the air), their evolution, composition, variability in space and time and interaction with clouds and precipitation is still lacking despite decades of research. Understanding the global aerosol system is critical to quantifying anthropogenic climate change, to determine climate sensitivity from observations and to understand the hydrological cycle. While a single instrument was used to demonstrate 50 years ago that the global CO2 levels are rising, posing threat of global warming, we need an array of satellites and field measurements coupled with chemical transport models to understand the global aerosol system. This complexity of the aerosol problem results from their short lifetime (1 week) and variable chemical composition. A new generation of satellites provides exciting opportunities to measure the global distribution of aerosols, distinguishing natural from anthropogenic aerosol and measuring their interaction with clouds and climate.

Kaufman, Yoram J.↗
NASA NTRS2012

Nonhazardous Urine Pretreatment Method

A method combines solid phase acidification with two non-toxic biocides to prevent ammonia volatilization and microbial proliferation. The safe, non-oxidizing biocide combination consists of a quaternary amine and a food preservative. This combination has exhibited excellent stabilization of both acidified and unacidified urine. During pretreatment tests, composite urine collected from donors was challenged with a microorganism known to proliferate in urine, and then was processed using the nonhazardous urine pre-treatment method. The challenge microorganisms included Escherichia coli, a common gram-negative bacteria; Enterococcus faecalis, a ureolytic gram-positive bacteria; Candida albicans, a yeast commonly found in urine; and Aspergillus niger, a problematic mold that resists urine pre-treatment. Urine processed in this manner remained microbially stable for over 57 days. Such effective urine stabilization was achieved using non-toxic, non-oxidizing biocides at higher pH (3.6 to 5.8) than previous methods in use or projected for use aboard the International Space Station (ISS). ISS urine pretreatment methods employ strong oxidants including ozone and hexavalent chromium (Cr(VI)), a carcinogenic material, under very acidic conditions (pH = 1.8 to 2.4). The method described here offers a much more benign chemical environment than previous pretreatment methods, and will lower equivalent system mass (ESM) by reducing containment volume and mass, system complexity, and crew time needed to handle pre-treatment chemicals. The biocides, being non-oxidizing, minimize the potential for chemical reactions with urine constituents to produce volatile, airborne contaminants such as cyanogen chloride. Additionally, the biocides are active under significantly less acidic conditions than those used in the current system, thereby reducing the degree of required acidification. A simple flow-through solid phase acidification (SPA) bed is employed to overcome the natural buffering capacity of urine, and to lower the pH to levels that fix ammoniacal nitrogen in the non-volatile and highly water soluble NH4 + form. Citric acid, a highly soluble, solid tricarboxylic acid essential to cellular metabolism, and typically used as a food preservative, has also been shown to efficiently acidify urine in conjunction with non-oxidizing biocides to provide effective stabilization with respect to both microbial growth and ammonia volatilization.

Akse, James R.↗
DOE OSTI2023

Using Co-Optimized Machine Learned Manifolds for Modeling Chemically Reacting Flows

Chemically reacting flows play a key role in a wide range of engineered systems, from chemical and polymer processing to combustion-based energy conversion technologies. Simulations of these flows involve solving a coupled set of partial differential equations for mass, momentum, energy, and all relevant chemical species in the system. Chemical reaction pathways may be extremely complex and involve hundreds or more intermediate species, with reactions that occur over timescales varying by several orders of magnitude - presenting a significant numerical stiffness challenge. The combination of these factors makes simulation of chemically reacting flows vastly more expensive than nonreactive simulations, and often makes direct solution of the governing equations intractable. It is necessary to apply lower-fidelity models in place of the detailed governing equations in order to reduce computational cost to enable reacting flow simulation tools to be used in the engineering design process. Many of the models employed for this purpose are based on reducing the dimension of the thermochemical state, motivated by the observation that the observed thermochemical states in a system lie on a low-dimensional manifold in thermochemical state space. This behavior occurs due to the fast equilibration of certain reactive and transport processes, and physics-based manifold models rely on idealized assumptions about the balance of timescales and the way in which chemistry and transport are coupled. In this work, we apply a novel method for data-driven manifold-based modeling that can leverage data from high-fidelity reacting flow simulations to improve model accuracy in cases where the physics-based modeling assumptions break down. The approach is designed to be broadly applicable across chemically reacting flow systems but is applied here to turbulent combustion modeling.

machine learning↗
NASA NTRS2005

It's a Sooty Problem: Black Carbon and Aerosols from Space

Our knowledge of atmospheric aerosols (smoke, pollution, dust or sea salt particles, small enough to be suspended in the air), their evolution, composition, variability in space and time and interaction with solar radiation, clouds and precipitation is lacking despite decades of research. Just recently we recognized that understanding the global aerosol system is fundamental for progress in climate change and hydrological cycle research. While a single instrument was used to demonstrate 50 yrs ago that the global CO2 levels are rising, posing thread to our climate, we need an may of satellites, surface networks of radiometers, elaborated laboratory and field experiments coupled with chemical transport models to understand the global aerosol system. This complexity of the aerosol problem results from their short lifetime (1 week), variability of the chemical composition and complex chemical and physical processes in the atmosphere. The result is a heterogeneous distribution of aerosol and their properties. The new generation of satellites and surface networks of radiometers provides exciting opportunities to measure the aerosol properties and their interaction with clouds and climate. However farther development in the satellite capability, aerosol chemical models and climate models is needed to fully decipher the aerosol secrets with accuracy required to predict future climates.

Kaufman, Yoram J.↗
NASA NTRS1984

GCKP84--General Chemical Kinetics Code for Gas-Phase Flow and Batch Processes Including Heat Transfer Effects

A general chemical kinetics code is described for complex, homogeneous ideal gas reactions in any chemical system. The main features of the GCKP84 code are flexibility, convenience, and speed of computation for many different reaction conditions. The code, which replaces the GCKP code published previously, solves numerically the differential equations for complex reaction in a batch system or one dimensional inviscid flow. It also solves numerically the nonlinear algebraic equations describing the well stirred reactor. A new state of the art numerical integration method is used for greatly increased speed in handling systems of stiff differential equations. The theory and the computer program, including details of input preparation and a guide to using the code are given.

David A Bittker↗