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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Crystal/liquid partitioning in augite - Effects of cooling rate

The partitioning of major and minor elements between augite and melt was determined as a function of cooling rate for two high-titanium basalt compositions. The results of this study of lunar rock systems 10017 and 75055 were compared with the results of other kinetic studies of augite-liquid partitioning in other rock systems. It was found that the partitioning of major elements (i.e., Ca, Fe, Mg) is essentially rate independent and is insensitive to bulk rock composition and to the nature and order of appearance of coexisting phases for cooling rates of less than 100 C/hr. The partitioning behavior of minor elements (i.e., Al, Cr, Ti) for the same range of cooling rates is complex, being dependent on cooling rate and bulk rock composition. Consideration of these factors is important when augite chemistry and/or partitioning behavior are used in modeling certain magmatic processes or in estimating the thermal history of basaltic rocks.

Gamble, R. P.↗
DOE OSTI2021

Using a Chromatographic Pseudophase Model To Elucidate the Mechanism of Olefin Separation by Silver(I) Ions in Ionic Liquids

Silver(I) ions undergo selective olefin complexation and have been utilized in various olefin/paraffin separation techniques such as argentation chromatography and facilitated transport membranes. Ionic liquids (ILs) are solvents known for their low vapor pressure, high thermal stability, low melting points, and ability to promote a favorable solvation environment for silver(I) ion–olefin interactions. To develop highly selective separation systems, a fundamental understanding of analyte partitioning to the stationary phase and the thermodynamic driving forces behind solvation is required. In this study, a chromatographic model treating silver(I) ions as a pseudophase is constructed and employed for the first time to investigate the olefin separation mechanism in silver(I) salt/IL mixtures. Stationary phases containing varying amounts of noncoordinated silver(I) salt ([Ag + ][NTf 2 – ]) dissolved in the 1-decyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide ([C 10 MIM + ][NTf 2 – ]) IL are utilized to determine the partition coefficients of various analytes including alkanes, alkenes, alkynes, aromatics, aldehyde, esters, and ketones. As ligand coordination to silver(I) ions is known to lower its olefin complexation capability, this study also examines two different types of coordinated silver(I) ion pseudophases, namely, monocoordinated silver(I) salt ([Ag + (1-decyl-2-methylimidazole, DMIM)][NTf 2 – ]) and dicoordinated silver(I) salt ([Ag + (1-methylimidazole, MIM)(DMIM)][NTf 2 – ]). The extent of olefin partitioning to the coordinated silver(I) ion pseudophases over the carrier gas and IL decreased by up to two orders of magnitude. Values for enthalpy, entropy, and free energy of solvation were determined for the three silver(I) ion-containing systems. Olefin retention was observed to be enthalpically dominated, while ligand coordination to the silver(I) ion pseudophase resulted in variations for both enthalpic and entropic contributions to the free energy of solvation. Furthermore, the developed model can be used to study chemical changes that occur in silver(I) ions over time as well as identify optimal silver(I) salt/IL mixtures that yield high olefin selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Trace Element Partitioning in the Presence of Sulfur Under Reduced Conditions

Oxygen fugacity (fO2) plays an important role in thephysicochemical properties of that system because fO2 has asubstantial impact on the partitioning behavior between andsolubility of elements in various phases. The reduced nature ofMercury and the aubrite parent bodies (APB) have raised manyquestions regarding the geochemical behavior of typicallylithophile, heat-producing, and rare-earth elements (REE) inmagmas at low fO2. In fact, interpretations of magmaticprocesses on reduced rocky bodies are difficult at presentbecause of the small number of experimental studies relevant tothe extremely low fO2 and high sulfur content of Mercury andthe APB, and our only natural analogs are the highly reducedenstatite chondrites and aubrites [e.g., 1]. Preliminaryobservations suggest that major and minor elements exhibitdifferent geochemical affinities in highly reduced, S-richsystems compared to terrestrial rocks. The partitioning behavior of major, minor, and traceelements between silicate melt, sulfide melt, and metal underhighly reduced conditions will be determined in a suite of super-liquidus experiments at a range of pressures (1 bar to 4 GPa) atNASA Johnson Space Center (JSC). Based on previous studies,heat-producing elements U and Th become more chalcophile,while K becomes less chalcophile, with more reducingconditions [2]. The nominally lithophile elements Mg and Cabecoming more chalcophile and appear as minor elements in(Fe,Mg,Ca)-S with more reducing conditions [3]. Additionally, itappears that nominally siderophile elements become moresiderophile and chalcophile with more reducing conditions,although the partitioning behavior into Mg- and Ca-bearingsulfide melts, rather than FeS, is less understood. Current workis focused on investigating elements for which we currently haveMESSENGER data as well as a host of geochemically relevanttrace elements such as REE.

Brendan A Anzures↗
NASA NTRS1993

Applications of CCSDS recommendations to Integrated Ground Data Systems (IGDS)

This paper describes an application of the CCSDS Principle Network (CPH) service model to communications network elements of a postulated Integrated Ground Data System (IGDS). Functions are drawn principally from COSMICS (Cosmic Information and Control System), an integrated space control infrastructure, and the Earth Observing System Data and Information System (EOSDIS) Core System (ECS). From functional requirements, this paper derives a set of five communications network partitions which, taken together, support proposed space control infrastructures and data distribution systems. Our functional analysis indicates that the five network partitions derived in this paper should effectively interconnect the users, centers, processors, and other architectural elements of an IGDS. This paper illustrates a useful application of the CCSDS (Consultive Committee for Space Data Systems) Recommendations to ground data system development.

Mizuta, Hiroshi↗
DOE OSTI2021

Dimensionality reduction of the many-body problem using coupled-cluster subsystem flow equations: classical and quantum computing perspective

We discuss reduced-scaling strategies employing recently introduced sub-system embedding sub-algebras coupled-cluster formalism (SES-CC) to describe many-body systems. These strategies utilize properties of the SES-CC formulations where the equations describing certain classes of sub- systems can be integrated into a computational flows composed coupled eigenvalue problems of reduced dimensionality. Additionally, these flows can be defined at the level of the CC Ansatz defined by selected classes of cluster amplitudes, which define the wave function ”memory” of possible partitionings of the many-body system into constituent sub-systems. One of the possible ways of solving these coupled problems is through implementing procedures, where the information is passed between the sub-systems in a self-consistent manner. As a special case, we consider local flow formulations where the so-called local character of correlation effects can be closely related to properties of sub-system embedding sub-algebras employing localized molecular basis. We also generalize flow equations to the time domain and to downfolding methods utilizing double exponential unitary CC Ansatz (DUCC), where reduced dimensionality of constituent sub-problems offer a possibility of efficient utilization of limited quantum resources in modeling realistic systems.

Electron correlation, quantum chemistry, quantum c↗
NASA NTRS1982

Countercurrent distribution of biological cells

It is known that the addition of phosphate buffer to two polymer aqueous phase systems has a strong effect on the partition behavior of cells and other particles in such mixtures. The addition of sodium phosphate to aqueous poly(ethylene glycol) dextran phase systems causes a concentration-dependent shift in binodial on the phase diagram, progressively lowering the critical conditions for phase separation as the phosphate concentration is increased. Sodium chloride produces no significant shift in the critical point relative to the salt-free case. Accurate determinations of the phase diagram require measurements of the density of the phases; data is presented which allows this parameter to be calculated from polarimetric measurements of the dextran concentrations of both phases. Increasing polymer concentrations in the phase systems produce increasing preference of the phosphate for the dextran-rich bottom phase. Equilibrium dialysis experiments showed that poly(ethylene glycol) effectively rejected phosphate, and to a lesser extent chloride, but that dextran had little effect on the distribution of either salt. Increasing ionic strength via addition of 0.15 M NaCl to phase systems containing 0.01 M phosphate produces an increased concentration of phosphate ions in the bottom dextran-rich phase, the expected effect in this type of Donnan distribution.

Source record↗
DOE OSTI2020

High-order partitioned spectral deferred correction solvers for multiphysics problems

We present an arbitrarily high-order, conditionally stable, partitioned spectral deferred correction (SDC) method for solving multiphysics problems using a sequence of pre-existing single-physics solvers. This method extends the work in [1], [2], which used implicit-explicit Runge-Kutta methods (IMEX) to build high-order, partitioned multiphysics solvers. We consider a generic multiphysics problem modeled as a system of coupled ordinary differential equations (ODEs), coupled through coupling terms that can depend on the state of each subsystem; therefore the method applies to both a semi-discretized system of partial differential equations (PDEs) or problems naturally modeled as coupled systems of ODEs. The sufficient conditions to build arbitrarily high-order partitioned SDC schemes are derived. Based on these conditions, various of partitioned SDC schemes are designed. The stability of the first-order partitioned SDC scheme is analyzed in detail on a coupled, linear model problem. We show that the scheme is conditionally stable, and under conditions on the coupling strength, the scheme can be unconditionally stable. We demonstrate the performance of the proposed partitioned solvers on several classes of multiphysics problems with moderate coupling strength. They include a stiff linear system of ODEs, advection-diffusion-reaction systems, and fluid-structure interaction problems with both incompressible and compressible flows, where we verify the design order of the SDC schemes and study various stability properties. We also directly compare the accuracy, stability, and cost of the proposed partitioned SDC solver with the partitioned IMEX method in [1], [2] on this suite of test problems. The results suggest that the high-order partitioned SDC solvers are more robust than the partitioned IMEX solvers for the numerical examples considered in this work, while the IMEX methods require fewer implicit solves.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1986

Separation of biological materials in microgravity

Partition in aqueous two phase polymer systems is a potentially useful procedure in downstream processing of both molecular and particulate biomaterials. The potential efficiency of the process for particle and cell isolations is much higher than the useful levels already achieved. Space provides a unique environment in which to test the hypothesis that convection and settling phenomena degrade the performance of the partition process. The initial space experiment in a series of tests of this hypothesis is described.

Brooks, D. E.↗
DOE OSTI2021

Revolutionizing observations and predictability of Arctic system dynamics through next-generation dense, heterogeneous and intelligent wireless sensor networks with embedded AI

The Arctic region is a complex and dynamic system, where changes in temperature and partitioning between water in solid, liquid and vapor phase are fundamentally reshaping hydro-biogeochemical fluxes from the bedrock to the atmosphere. The increasing temperature and frequency of extreme heat, precipitation and fire events (Wang et al., 2017; Meredith et al., 2019) have critical consequences for the Arctic ecosystems and people, as well as for the global climate system. Although many observational and remote sensing activities have been on-going, detailed ecosystem processes – particularly related to controls on and impacts of permafrost thaw – are difficult to detect or measure. To improve the understanding and prediction of these extreme events and their consequences, we need a revolution in the way we collect ground-based observations from hillslope to pan-Arctic scales and couple them with satellite imagery and models to deliver rich, actionable, and scale-appropriate data.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

Predicting the velocity and azimuth of fragments generated by the range destruction or random failure of rocket casings and tankage

A calculational method is described which provides a powerful tool for predicting solid rocket motor (SRM) casing and liquid rocket tankage fragmentation response. The approach properly partitions the available impulse to each major system-mass component. It uses the Pisces code developed by Physics International to couple the forces generated by an Eulerian-modeled gas flow field to a Lagrangian-modeled fuel and casing system. The details of the predictive analytical modeling process and the development of normalized relations for momentum partition as a function of SRM burn time and initial geometry are discussed. Methods for applying similar modeling techniques to liquid-tankage-overpressure failures are also discussed. Good agreement between predictions and observations are obtained for five specific events.

Eck, Marshall↗
NASA NTRS1993

FNAS phase partitions

Project NAS8-36955 D.O. #100 initially involved the following tasks: (1) evaluation of various coatings' ability to control wall wetting and surface zeta potential expression; (2) testing various methods to mix and control the demixing of phase systems; and (3) videomicroscopic investigation of cell partition. Three complementary areas were identified for modification and extension of the original contract. They were: (1) identification of new supports for column cell partition; (2) electrokinetic detection of protein adsorption; and (3) emulsion studies related to bioseparations.

Vanalstine, James M.↗
NASA NTRSDate not supplied

Computer Controlled High Vacuum Gas Purification and Analysis Line

Light stable isotope work requires the handling of gasses such a way that does not alter isotopic composition. To do this, there are a large number of analytical and experimental procedures which involve the use of a vacuum line, numerous “egg timers” and a human hand on a valve. Unfortunately, the human hand is inconsistent and inadvertent small, and commonly large, differences in timing can have a measurable effect on outcomes. We have constructed a computer controlled high-vacuum line to be used as an expandable platform for future experimental and analytical procedures. The vacuum line consists of an electropolished 316 stainless steel system of cryogenic u-traps partitioned by pneumatic valves. The code to operate the line has been developed using the LabView platform and will allow for automated timing, consistent valve opening speed and unattended operation of long analytical procedures. The aim of this project is to address a need in the light stable isotope laboratory for a general-purpose vacuum line for handling and manipulation of gasses. When combined with existing instrumentation it allows for a significant expansion of current analytical capabilities. The system allows for better handling of standards, gas conversion techniques and gas sample collection for interlaboratory comparisons. The basic structure of the line, automation hardware and software were chosen and designed to provide a base for future expansion of the system to incorporate new automated analytical techniques as laboratory instrumentation and analytical needs expand.

High vacuum↗
DOE OSTI2025

Intelligently Partitioned Phasor-EMT Hybrid Simulations of Large-Scale, High-IBR Power Systems

As the penetration level of power electronics-interfaced renewables such as photovoltaics (PV) and wind has surged in modern electric grids, new operational risks caused by the dynamics of those inverter-based resources (IBRs) are emerging in parallel. Lessons learned from various grid events include that the impact of IBRs on system-level grid stability will become prominent along with the increase of renewables and that the short-timescale dynamic impacts of IBRs on grid stability are not fully captured by current commercial dynamic simulation tools [1] [2]. For example, IBRs can be controlled to mitigate those destabilizing interactions, but conventional phasor-domain tools (e.g. PSS/E, PSLF) often cannot capture that; likewise, the existing electromagnetic transient (EMT) simulation tools (e.g. PSCAD, EMTP) can simulate detailed IBR controls, but for large power systems with many IBRs, slow simulation speeds severely impede the ability to study dynamic events [3] [4]. Massively paralleling simulations using high-performance computing (HPC) can help address this, especially now that cloud-based HPC capability is widely available, but today s EMT tools are not HPC-compatible, and parallelization of dynamic simulation solvers is not trivial because each region can dynamically affect the others. Thus, dynamic simulation of grids with very large numbers of IBRs potentially poses a barrier to the ongoing energy transition.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1986

A multicomputer and real time Ada environment

A multicomputer is defined as a set of tightly-coupled yet autonomous computers capable of synchronizing and communicating in parallel but also of operating independently. The architectural concepts and requirements for executing the Ada programs in a multicomputer system are discussed. Synchronization, commmunication, and protection of shared data between the Ada program entities are addressed. Decomposition or partitioning of the Ada program in a multicomputer system is also studied. Finally, a multicomputer and real time Ada environment is described using FLEX/32 multicomputer system.

Naeini, Ray↗
DOE OSTI2024

Identifying Green Solvent Mixtures for Bioproduct Separation Using Bayesian Experimental Design

Liquid–liquid extraction (LLE) is a widely used technique for the separation and purification of liquid-phase products with applications in various industries, including pharmaceuticals, petrochemicals, and renewable chemistry. A critical step in the design of an LLE process is the selection of appropriate solvents. This study presents a new methodology for identifying solvent mixtures for bioproduct separation using Bayesian experimental design (BED). Motivated by the need for environmentally friendly and effective separation methods, we address the challenge of selecting solvent systems that balance separation efficiency, selectivity, and environmental impact while also tackling the difficulty of separating multiple bioproducts using complex solvent systems. Our approach specifically seeks to predict product partition coefficients (log10 Kp values) as thermodynamic parameters underlying solvent selection. The iterative approach integrates Bayesian optimization with experimental measurements to guide solvent selection and leverages COSMO-RS simulations to enhance high-throughput experimentation. Using the design of solvent systems for the separation of lignin-derived aromatic products via centrifugal partition chromatography (CPC) as a case study, we show that within seven iterations/cycles of the methodology, we can identify new mixtures of green solvents that align with CPC design principles. Furthermore, these results demonstrate the efficacy of the BED framework in optimizing green solvent systems for complex separations, highlighting the potential of this method to advance the field of green chemistry and contribute to the development of sustainable industrial processes.

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

Understanding the Applicability of Gas/Particle Partitioning Theory to SOA using Novel Chemically-Speciated Partitioning Measurements (Final Report)

The main objective of this research grant project was to investigate the physical-chemical processes and properties of particles and partitioning gases that influence gas/particle (G/P) partitioning and timescales for equilibration, to directly determine the conditions under which equilibrium G/P partitioning theory can be applied to secondary organic aerosol (SOA). SOA constitutes a major component of submicron particles in the atmosphere, which have important implications for air quality, human and ecosystem health, radiation balance, and climate; however SOA formation, evolution and losses are not well understood. Use of novel on-line measurements of chemically-speciated partitioning measurements of both gas-phase and particle-phase components was a central component to advancing these scientific goals. The key approach was to conduct environmental chamber studies with systems of increasing complexity to determine G/P partitioning rates and equilibrium states for chemically-speciated SOA components. The project builds on our previous work on gas-wall partitioning that must be understood in order to study G/P partitioning in chambers, and to help extrapolate the results to be atmospherically relevant. The goal was to employ measurements and modeling to systematically determine when G/P partitioning theory accurately describes the distribution of oxidized organic compounds in the gas and aerosol phases, and when and why it does not (e.g., aerosol phase-state kinetic limitations, non-ideal mixing, phase separation, oligomer formation,), for chemical and physical conditions typically found throughout the continental boundary layer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Intercommunications in Real Time, Redundant, Distributed Computer System

An investigation into the applicability of fiber optic communication techniques to real time avionic control systems, in particular the total automatic flight control system used for the VSTOL aircraft is presented. The system consists of spatially distributed microprocessors. The overall control function is partitioned to yield a unidirectional data flow between the processing elements (PE). System reliability is enhanced by the use of triple redundancy. Some general overall system specifications are listed here to provide the necessary background for the requirements of the communications system.

Zanger, H.↗