SEARCH · Engineering Papers

Results for “transition path”

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.

SourceResearch connectionFrom yearThrough year

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

At least 937 records · Page 52

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Density functional theory investigations into the magnetic ordering of U 3 O 8

Density functional theory (DFT) has been highly successful in supporting experimental materials science; however, a correct electronic ground state is required to realize the full theoretical capacity of DFT. The uranium oxides, α–U 3 O 8 in particular, are simultaneously technologically important materials and theoretically challenging for DFT because the uranium magnetic ground state is not obvious. This is true for both experiment and theory—magnetic susceptibility measurements indicate an antiferromagnetic (AFM) ground state with transitions near 4.2 and 8.0 K, but the ordering itself is not known. Theoretical literature reports are in contradiction, with independent studies finding paramagnetic, ferromagnetic (FM), and AFM states as the lowest energy configuration. However, recent inelastic neutron scattering experiments suggested an uninvestigated magnetic structure with ordering along the [0.5 1 1] plane, motivating a theoretical reinvestigation. Using this insight, we calculated the relative energy of FM and AFM orderings along [0.5 1 1], [0.5 0 0], [0 1 0], and [0 0 1] using noncollinear DFT calculations with spin-orbital coupling. In this work, we found that the [0.5 1 1] AFM structure is lower in energy than FM or AFM orderings along the low Miller index directions. We also investigated polarization of the magnetic moment along each lattice vector and found that polarization along the out-of-plane direction is the energetically preferred orientation for the AFM structures. Additionally, we found in all calculations that moments initially pointing along the in-plane lattice vectors significantly relax until they point along the coordinate between the two crystallographically distinct uranium sites with complex noncollinear magnetic configurations. The new [0.5 1 1] AFM magnetic structure provides an additional path forward toward understanding the electronic structure of α-U 3 O 8 and lends theoretical credibility to recent neutron scattering results.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Catching Rays: How Bifacial_Radiance Sheds Light on the Future of Solar PV

The challenge of energy transition is immediate and immense, with current projections targeting 75 TW of photovoltaics (PV) capacity globally by 2050. Alongside the rapid deployment is the "solar-coaster" ride the PV industry experiences with evolving technologies and novel installation methods. In 2016, NREL developed bifacial_radiance, a python open-source modeling tool for bifacial PV. This tool is a wrapper of the raytracing engine Radiance, which you all know better than us at this workshop. Bifacial_radiance integrates the many characteristics of common PV systems to model irradiance on both the front and rear sides of bifacial PV technology - a technology that now represents 75% of utility-scale deployment in the US. Bifacial_radiance has been pivotal for understanding bifacial system performance, shading, and edge effects, and now agrivoltaics research. It has also helped develop simplified models used in PV due diligence tools for optimizing new deployments or evaluating the performance of existing projects. Now, it's the go-to comparison tool for many university, and industry-developed systems modeling tools, and a pivotal tool for further research in photovoltaics. This talk will cover the needs bifacial_radiance addresses as an open-source tool, its development path, and the opportunity for any raytracer to shine light on the solar industry through research and practical application of modeling in regular site installations and novel setups like agrivoltaics and vertical panels at high latitudes (and even the South Pole!).

agrivoltaics↗

DOE OSTI2021

Catalytic site ensembles: A context to reexamine the Langmuir-Hinshelwood kinetic description

The Langmuir-Hinshelwood formalism describes catalytic reactions of Langmuirian surface species under the assumption that all adsorbates are randomly-distributed – enabling adjacency of surface-bound intermediates to be determined solely by coverages of single-site occupants. We demonstrate herein that this approximation is inappropriate even for simple catalytic reactions (e.g. A + A → A 2 ) and manifestly neglects islanding of slowly-consumed species and partitioning of highly-reactive species inherently engendered by ≥ two-site elementary steps (e.g. A*–A* → A 2(g) + *–*). Rigorous description of kinetically-consequential islanding/partitioning phenomena requires explicit description of the coverage and chemical dynamics of all multi-site ensembles. Higher-order, ensemble-specific rate terms identify the particular microscopic events relevant to each ensemble, and, in doing so, reveal that each elementary step (e.g. A (g) adsorption) describes not one event (e.g. A (g) + * → A*) , but a sum over all ensemble-specific paths (e.g. A (g) + *–* → A*–* and A (g) + A*–* → A*–A*). De-convoluting each elementary step into its constituent multi-site paths proffers kinetic detail otherwise inaccessible – enabling (i) identification of rate- and selectivity-determining site ensembles, (ii) calculation of rates and degrees of rate control of ensemble-specific elementary steps, (iii) incorporation of adsorbate surface diffusion, (iv) incorporation of lateral adsorbate interactions, and (v) quantitative description of catalysis of multi-site-occupying intermediates (e.g. *C n H m * species in hydrocarbon (de-)hydrogenation and C-C bond coupling/cleavage reactions) which we demonstrate here is inaccessible to the Langmuir-Hinshelwood formalism even if adsorbate surface diffusion is infinitely-fast.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Nanoscale Imaging of Magnetotransport around a Circular 𝑝−𝑛 Junction in Graphene

Magnetoresistance studies of 2D systems are often shaped by the motion of electrons that occupy spatially confined wave functions, such as topological edge modes and disorder-induced bound states. Directly probing how such states form and behave in situ , under applied currents, provides a clear way of connecting microscopic physics to the macroscopic transport response. Here, in this Letter, scanning tunneling potentiometry is used to probe the local, current-induced electrochemical potential of carriers in graphene near circular 𝑝−𝑛 junctions in an out-of-plane magnetic field ranging from 0 to 1.4 T. These measurements provide detailed information about the motion of carriers at the nanometer scale, revealing how it evolves with increasing field. The electrochemical potential displays distinct patterns, such as dipoles, spirals, and concentric disks in weak, moderate, and high fields, respectively. The size and orientation of these patterns can be used to understand how local carrier dynamics change in different transport regimes as well as to directly extract physical parameters such as the electron mean free path and cyclotron diameter.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Macromolecular recognition: Structural aspects of the origin of the genetic system

Theoretical simulation of prebiotic chemical processes is an invaluable tool for probing the phenomenon of evolution of life. Using computational and modeling techniques and guided by analogies from present day systems we, seek to understand the emergence of genetic apparatus, enzymatic catalysis and protein synthesis under prebiotic conditions. In one possible scenario, the RNA enzymatic reaction plays a key role in the emergence of the self-replicating and offers a clue to the onset of enzymatic catalysis prior to the existence of the protein biosynthetic machinery. Our ultimate goal is to propose a simple RNA segment which contains the specificity and catalytic activity of the contemporary RNA enzyme and which could emerge in a primordial chemical environment. To understand the mechanism of ribozyme catalyzed reactions, ab initio and semi-empirical (ZINDO) programs were used to investigate the reaction path of transphosphorylation. A special emphasis was placed on the possible catalytic and structural roles played by the coordinated magnesium cation. Both the inline and adjacent mechanisms of transphosphorylation have been studied. Another important aspect of this reaction is the identity of the functional groups which are essential for the acid base catalysis. The structural characteristics of the target helices, particularly a possible role of G center dot T pair, is under examination by molecular dynamics (MD) simulation technique. Modeling of the ancestral aminoacyl-tRNA synthetases (aRS) may provide important clues to the emergence of the genetic code and the protein synthetic machinery. Assuming that the catalytic function evolved before the elements of specific recognition of a particular amino acid, we are exploring the minimal structural requirements for the catalysis of tRNA aminoacylation. The molecular modeling system SYBYL was used for this study based on the high resolution crystallographic structures of the present day tyrosyl-adenylate:tyrRS and tRNA(Gln): ATP:glnRS complexes. The trinucleotide CCA of the 3'-end tRNA is placed into the active site pocket of tyrRS, based on the scheme of interaction between tRNA(Gln) and glnRS, and upon the stereochemistry of the tyrRS:tRNA:Tyr-AMP transition state. This provides a model of the non-specific recognition of a tRNA's 3'-end by an aRS, which might be similar to that of the ancestral aRS's. In the next step, modeling of the rest of the acceptor stem of tRNA (Tyr) with tyrRS is carried out.

Rein, Robert↗

DOE OSTI2021

Effective reduction of PdCoO 2 thin films via hydrogenation and sign tunable anomalous Hall effect

PdCoO 2 , belonging to a family of triangular oxides called delafossite, is one of the most conducting oxides. Its in-plane conductivity is comparable to those of the best metals and exhibits hydrodynamic electronic transport with an extremely long mean free path at cryogenic temperatures. Nonetheless, it is nonmagnetic despite the presence of the cobalt ion. In this work, we show that a mild hydrogenation process reduces PdCoO 2 thin films to an atomically mixed alloy of PdCo with strong out-of-plane ferromagnetism and sign-tunable anomalous Hall effect. Considering that many other compounds remain little affected under a similar hydrogenation condition, this discovery may provide a route to creating novel spintronic heterostructures combining strong ferromagnetism, involving oxides and other functional materials.

36 MATERIALS SCIENCE↗

NASA NTRS2006

NASA Crew Launch Vehicle Approach Builds on Lessons from Past and Present Missions

The United States Vision for Space Exploration, announced in January 2004, outlines the National Aeronautics and Space Administration's (NASA) strategic goals and objectives, including retiring the Space Shuttle and replacing it with a new human-rated system suitable for missions to the Moon and Mars. The Crew Exploration Vehicle (CEV) that the new Crew Launch Vehicle (CLV) lofts into space early next decade will initially ferry astronauts to the International Space Station and be capable of carrying crews back to lunar orbit and of supporting missions to Mars orbit. NASA is using its extensive experience gained from past and ongoing launch vehicle programs to maximize the CLV system design approach, with the objective of reducing total lifecycle costs through operational efficiencies. To provide in-depth data for selecting this follow-on launch vehicle, the Exploration Systems Architecture Study was conducted during the summer of 2005, following the confirmation of the new NASA Administrator. A team of aerospace subject matter experts used technical, budget, and schedule objectives to analyze a number of potential launch systems, with a focus on human rating for exploration missions. The results showed that a variant of the Space Shuttle, utilizing the reusable Solid Rocket Booster as the first stage, along with a new upper stage that uses a derivative of the RS-25 Space Shuttle Main Engine to deliver 25 metric tons to low-Earth orbit, was the best choice to reduce the risks associated with fielding a new system in a timely manner. The CLV Project, managed by the Exploration Launch Office located at NASA's Marshall Space Flight Center, is leading the design, development, testing, and operation of this new human-rated system. The CLV Project works closely with the Space Shuttle Program to transition hardware, infrastructure, and workforce assets to the new launch system . leveraging a wealth of lessons learned from Shuttle operations. The CL V is being designed to reduce costs through a number of methods, ranging from validating requirements to conducting trades studies against the concept design. Innovations such as automated processing will build on lessons learned from the Shuttle, other launch systems, Department of Defense operations experience, and subscale flight tests such as the Delta Clipper-Experimental Advanced (DCXA) vehicle operations that utilized minimal touch labor, automated cryogen ic propellant loading , and an 8-hour turnaround for a cryogenic propulsion system. For the CLV, the results of hazard analyses are contributing to an integrated vehicle health monitoring system that will troubleshoot anomalies and determine which ones can be solved without human intervention. Such advances will help streamline the mission operations process for pilots and ground controllers alike. In fiscal year 2005, NASA invested approximately $4.5 billion of its $16 bill ion budget on the Space Shuttle. The ultimate goal of the CLV Project is to deliver a safe, reliable system designed to minimize lifecycle costs so that NASA's budget can be invested in missions of scientific discovery. Lessons learned from developing the CLV will be applied to the growth path for future systems, including a heavy lift launch vehicle.

Dumbacher, Daniel L.↗

NASA NTRS1992

Biomedical Monitoring and Countermeasures Facility

The Space Station Freedom Program (SSFP) represents the transition within the US Space program from the 'heroic' era of space flight (characterized most vividly by the Mercury and Apollo programs) to an epoch characterized by routine access to the space environment. In this new era, the unique characteristics of the microgravity environment will enable new types of research activities, primarily in the life sciences, materials science, and biotechnology fields. In addition to its role as a'microgravity science laboratory,' Space Station Freedom (SSF) constitutes the operational platform on which the knowledge and skills needed to continue our exploration of space will be acquired. In the area of spacecraft operations, these skills include the ability to assemble, operate, and maintain large structures in space. In the area of crew operations, the potentially harmful effects of extended exposure to microgravity must be understood in order to keep the crew mission capable. To achieve this goal, the complex process of physiological deconditioning must be monitored, and countermeasures utilized as needed to keep the individual crew members within acceptable physiological limits. The countermeasures program under development for the SSF Program is titled the Biomedical Monitoring and Countermeasures (BMAC) program. As implied by the name, this activity has two primary products, a biomedical monitoring element and a countermeasures development effort. The program is a critical path element in the overall SSF Program, and should be considered an essential element of operations on board the space station. It is readily apparent that the capability to both protect and optimize the health and performance of the human operators on board SSF will be a critical element in the overall success of the SSFP. Previous experience within the Russian space program has demonstrated that the time required for countermeasures on extended missions can become a monumental operational burden. Therefore, one of the primary objectives of the countermeasures development activity will be to design and implement countermeasures which are significantly more effective than the existing generation. Other primary objectives include the following: to set health and human performance standards for all mission phases; to determine critical issues that affect performance or return to flight status; to develop and implement monitoring systems to follow health and performance status; and to understand risk, and balance the resource costs of countermeasures vs. the benefit gained.

Stewart, Donald F.↗

DOE OSTI2025

Prediction of vacancy defect diffusion paths in high entropy alloys via machine learning on molecular dynamics data

Identifying the diffusion path of point defects is a critical step in understanding their evolution and the mechanisms of related phenomena. Defect diffusion occurs at small length and time scales, with impacts on material properties that may continue to evolve over ns to μs, ms, and the continuum scale (s, min, etc., and cm, m, etc.). The time scale accessible to molecular dynamics (MD) simulations is limited by small step sizes, typically in the fs range. Thus, surrogate models of MD simulations through machine learning (ML)-based algorithms are of great interest, especially for complex systems such as high entropy alloys (HEAs). In this work, dynamics governing vacancy migration in HEA were approximated with graph convolutional network (GCN) models as ansatzes for kinetic Monte Carlo (KMC) rate catalogs. Network design considered that diffusion in crystalline solids generally depends on interactions between defects and their immediate neighbor atoms. Graphs represented the vacancy surroundings, MD-generated trajectories provided training and comparison datasets, and unsupervised GCN models approximated interatomic dynamics governing vacancy migration in HEAs as ansatzes for KMC. A proof-of-concept model trained on MD data for the Fe, Ni, Cr, Co, and Cu HEA environment was used with two different neighbor interactions to assess the feasibility of training a GCN to predict vacancy defect transition rates in the HEA environment. The resulting setup rapidly generated MD-formatted synthetic trajectories based on dynamics learned from the MD training set, with a time acceleration of roughly two orders of magnitude and a similar diffusion coefficient to MD observations. Additionally, Nudged Elastic Band (NEB) calculations were performed on randomly generated FeNiCrCoCu HEA structures to determine vacancy migration barriers across nearest-neighbor sites. Transition probabilities for each jump, categorized by atomic type, were extracted from these calculations. NEB-based and GCN-based approaches led to similar outcomes.

Reimer, C↗

DOE OSTI2025

Crystalline Order Yet Glass-Like Heat Transport Driven by Hidden Local Distortions as the Structural Origin of Ultralow Thermal Conductivity in AgErTe 2

Given their rich chemical diversity and the interplay among the p-, d-, and f-orbitals of chalcogens, transition metals, and lanthanides, respectively, rare-earth transition-metal chalcogenides exhibit a wide variety of structural, magnetic, and transport phenomena. As a result, they form a particularly appealing platform for investigating structure–property relationships, emergent electronic and magnetic behaviors, and thermal transport. Here we investigate AgErTe 2 as a model system to understand phonon-glass behavior in ordered crystalline solids, which establishes the design principles for thermal barrier coatings and next-generation thermoelectrics. The local bonding asymmetry and lattice softness suppress the inherently low lattice thermal conductivity, resembling the characteristics of amorphous materials. This suppression is significantly influenced by local off-centering of Ag atoms, which breaks lattice periodicity while maintaining global crystallinity. The presence of antibonding states just below the Fermi level, arising from Ag 4d and Te 5p orbital interactions, leads to lattice softening and destabilizes ideal tetrahedral coordination, resulting in a pseudo Jahn–Teller distortion. Furthermore, the coexistence of weaker, more polarizable Ag–Te bonds and stronger Er–Te bonds creates a complex vibrational landscape enriched with low-frequency modes and enhanced phonon scattering. A pronounced disparity in interatomic force constants gives rise to highly localized, low-energy optical phonons linked to Ag rattling. These flat vibrational modes exhibit strong coupling with transverse acoustic phonons, resulting in ultrashort phonon lifetimes and mean free paths approaching interatomic distances. These features collectively enhance phonon scattering across a broad range of length and energy scales. This work offers a framework for engineering suppressed thermal conductivity in crystalline systems without the introduction of alloying elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Performance Advantaged ..beta..-Ketone Containing Polymers - Benefits in Manufacturing, Performance, and End-of-Life

Biomass derived chemicals can possess extended functionality, often in the form of heteroatoms like oxygen and nitrogen, that can enable performance advantaged properties in emergent materials. These performance advantages can manifest in multiple ways such as reduced manufacturing intensity, better performance, or enhanced end-of-life options. One illustrative example of this concept is ..beta..-ketoadipic acid (..beta..KA), a C6 dicarboxylic acid with a ketone in its backbone. ..beta..KA can be obtained via biological cultivation from aromatic compounds, sugars, and even waste plastics. When ..beta..KA is implemented into polymers, namely nylons, in place of adipic acid the overall material properties are increased. Specifically, the glass transition temperature (which is the measurement at which temperature a plastic softens) is increased by 69 degrees C and the water permeability is reduced by 20%. Molecular dynamic (MD) simulations reveal that the ..beta..-ketone in ..beta..KA leads to restricted movement across multiple backbone carbons when compared to adipic acid. Furthermore, MD simulations reveal that the ..beta..-ketone, when compared to no-ketone or an a-ketone, can lead to an increase in hydrogen bonding between neighboring chains. Both phenomena may help explain the molecular origin of the increases in polymer performance. When implemented into polyesters, namely PET, ..beta..KA can maintain the requisite performance while enabling enhanced degradation. Aside from performance advantages in thermomechanical performance, the production of ..beta..KA also is advantaged in its manufacturing. Although estimates for the minimum selling price (MSP) of ..beta..KA exceed adipic acid the manufacture of ..beta..KAwould reduce supply chain energy and GHG emissions by >50% and >30% respectively. Further TEA analysis reveals that the MSP of ..beta..KA is primarily driven by the feedstock cost while the capital expenditures are driven largely by fermentation costs. Overall, the work presented within will be illustrative of how biomass derived molecules, namely ..beta..KA, can manifest performance advantages across multiple benchmarks and may enable a path to market for biomass-derived materials.

ADVANCED PROPULSION SYSTEMS,BIOMASS FUELS↗

NASA NTRS1999

Rotary blood pump

A blood pump that comprises a pump housing having a blood flow path therethrough, a blood inlet, and a blood outlet; a stator mounted to the pump housing, the stator having a stator field winding for producing a stator magnetic field; a flow straightener located within the pump housing, and comprising a flow straightener hub and at least one flow straightener blade attached to the flow straightener hub; a rotor mounted within the pump housing for rotation in response to the stator magnetic field, the rotor comprising an inducer and an impeller; the inducer being located downstream of the flow straightener, and comprising an inducer hub and at least one inducer blade attached to the inducer hub; the impeller being located downstream of the inducer, and comprising an impeller hub and at least one impeller blade attached to the impeller hub; and preferably also comprising a diffuser downstream of the impeller, the diffuser comprising a diffuser hub and at least one diffuser blade. Blood flow stagnation and clot formation within the pump are minimized by, among other things, providing the inducer hub with a diameter greater than the diameter of the flow straightener hub; by optimizing the axial spacing between the flow straightener hub and the inducer hub, and between the impeller hub and the diffuser hub; by optimizing the inlet angle of the diffuser blades; and by providing fillets or curved transitions between the upstream end of the inducer hub and the shaft mounted therein, and between the impeller hub and the shaft mounted therein.

Benkowski, Robert J.↗

NASA NTRS1992

Multispectral observations of the Jovian aurora

The upper atmospheres of the Earth and the outer planets form a screen on which precipitating charged particles, like the electron beam in a television, trace fleeting, but revealing patterns of visible, ultraviolet, infrared, and x ray emissions that offer valuable clues to processes occurring within the planetary magnetospheres. At Earth, years of in situ measurements, as well as ground based observations, have yielded a picture (still fuzzy) where the interaction of the solar wind with the magnetosphere of the Earth provides a complex path for the storage and release of energy during magnetic substorms; the ultimate manifestation of terrestrial auroral processes. More recent global imaging of substorm events from high above the Earth (greater than 3.5 R(sub e)) by Dynamics Explorer have made a unique contribution towards understanding the global and temporal evolution of such auroral events by providing a morphological perspective and by providing the crucial observational link that allows the separation of spatial and temporal variations inherent in the interpretation of in situ data. A similar role was played by the Hubble Space Telescope (HST) during the recent encounter of Ulysses with Jupiter in helping to define a new paradigm in Jovian auroral physics. The old paradigm portrayed Jupiter's magnetosphere as totally dominated by internal processes (i.e. Io related tori, heavy ions, etc.) where energetic heavy ion precipitation in the inner magnetosphere was solely responsible for the observed auroral phenomena. Ulysses and HST portray a more Earth-like paradigm where electron acceleration in the outer magnetosphere near the boundary with the solar wind plays a distinct role in the formation of auroral hot spots, yet energetic heavy ions also enter into the picture (similar to the role of the energetic ions from the terrestrial ring current during magnetic substorms). These heavy ions as a result of excitation during their transit through the atmosphere produce the x ray emissions observed in Roentgensatellit (ROSAT) x ray energy spectra.

Source record↗

NASA NTRS2009

Benefits of Using a Mars Forward Strategy for Lunar Surface Systems

This paper identifies potential risk reduction, cost savings and programmatic procurement benefits of a Mars Forward Lunar Surface System architecture that provides commonality or evolutionary development paths for lunar surface system elements applicable to Mars surface systems. The objective of this paper is to identify the potential benefits for incorporating a Mars Forward development strategy into the planned Project Constellation Lunar Surface System Architecture. The benefits include cost savings, technology readiness, and design validation of systems that would be applicable to lunar and Mars surface systems. The paper presents a survey of previous lunar and Mars surface systems design concepts and provides an assessment of previous conclusions concerning those systems in light of the current Project Constellation Exploration Architectures. The operational requirements for current Project Constellation lunar and Mars surface system elements are compared and evaluated to identify the potential risk reduction strategies that build on lunar surface systems to reduce the technical and programmatic risks for Mars exploration. Risk reduction for rapidly evolving technologies is achieved through systematic evolution of technologies and components based on Moore's Law superimposed on the typical NASA systems engineering project development "V-cycle" described in NASA NPR 7120.5. Risk reduction for established or slowly evolving technologies is achieved through a process called the Mars-Ready Platform strategy in which incremental improvements lead from the initial lunar surface system components to Mars-Ready technologies. The potential programmatic benefits of the Mars Forward strategy are provided in terms of the transition from the lunar exploration campaign to the Mars exploration campaign. By utilizing a sequential combined procurement strategy for lunar and Mars exploration surface systems, the overall budget wedges for exploration systems are reduced and the costly technological development gap between the lunar and Mars programs can be eliminated. This provides a sustained level of technological competitiveness as well as maintaining a stable engineering and manufacturing capability throughout the entire duration of Project Constellation.

Mulqueen, Jack↗

NASA NTRS2023

In Situ Chemical Reduction Interim Measures Work Plan Hot Spot 3 Mobile Launcher Platform Rehabilitation Sites / Vehicle Assembly Building Area (SWMU 056) Kennedy Space Center, Florida

This document presents the design details of an In Situ Chemical Reduction (ISCR) Interim Measures Work Plan for Hot Spot 3 within Mobile Launcher Platform Rehabilitation Sites/Vehicle Assembly Building Area, Solid Waste Management Unit (SWMU) 056 (SWMU 056), located at the John F. Kennedy Space Center, Florida. The interim measures (IM) treatment zone encompasses an area identified as the High Concentration Plume (HCP), which is defined as the area with chlorinated volatile organic compound (CVOC) groundwater concentrations greater than their respective Natural Attenuation Default Concentration (NADC). The objective of the IM is to remove CVOC mass within the treatment area to levels that facilitate a transition to natural attenuation monitoring. The IM design consists of the selected ISCR amendment, Provect-IR, which is a mixture of solid reagents in a single product that promotes enhanced reductive dechlorination and ISCR. ProvectIR includes natural antimethanogenic compounds; multiple hydrophilic, nutrient-rich organic carbon sources; zero valent iron; chemical oxygen scavengers; and vitamin and mineral sources. The proposed treatment area for this IM encompasses less than 1 acre and includes three vertical treatment intervals to reach the NADC plumes that vary per CVOC and depth: 4 to 10 feet below land surface (bls), 10 to 18 feet bls, and 42 to 52 feet bls. The amendment will be distributed through 16 injection points (IP01 through IP16) using dosing rates ranging from 0.4% to 0.6% of soil mass within the treatment interval and a 15% or 20% slurry strength. Dosage rates and slurry strength are based on groundwater geochemistry, soil characteristics, and contaminant concentrations. To aid in the evaluation of the ISCR IM performance, six performance monitoring wells will be installed following injections and sampled semiannually. CVOC parameters will be sampled until concentrations reduce to below their NADC. Underground Injection Control parameters will be sampled until concentrations decrease to background levels or to levels that meet respective groundwater standards. Sampling frequency will be evaluated annually and modified as needed. The path forward for the ISCR IM implementation includes preparing the IM Implementation Work Plan, ISCR injections, monitoring well installation, performance monitoring, and reporting.

Randall K. Sillan↗

NASA NTRS2019

The Value Proposition of Multi-Megawatt Electric Power/Propulsion for the Human Exploration of Mars

NASA and other space agencies have been offering stakeholders an architecture for the human exploration of Mars that has remained essentially unchanged since the 1960's. The mission duration and launch mass are the two first order figures of merit that drive the total cost of such an architecture. The options studied to date center on the "conjunction class" or "Long Stay" mission, in which surface infrastructure elements are sent ahead on uncrewed, slow trajectories requiring a minimum amount of propellant, and the crewed elements are sent at the synotic cycle's shortest trajectory, stay on Mars until the next close alignment, and then return to Earth. Total crewed mission durations for these architectures range from 900 to 1100 days, with variations driven primarily by trades between the amount of propellant launched and the effective specific mass of the propulsion technology assumed (e.g., chemical, nuclear thermal, solar electric, nuclear electric). Mars transit propulsion systems assumed in mission architectures studied to date have all resulted in architectural figures of merit that drive the cost to a level of "too much." However, nuclear electric propulsion (NEP) technology offers a "knob" that might be turned to enable a radically different Mars architecture, whose launch mass and mission duration may enable a value proposition more palatable to mission stakeholders. Mars architectures studied to date have assumed an NEP system providing 2.5 MWe at a specific mass of no less than 20 kg/kWe. This has often been seen as obtainable with a moderately high temperature fission reactor. An NEP system providing 15 MWe at specific mass of ~1 kg/kWe, though, could enable a short stay (30 days on surface) Mars mission, requiring only two or three SLS-class launch vehicles and a total mission duration of under one calendar year. However, turning this NEP "knob" would require a high risk development program driving innovation on the order of that delivered by the Manhattan Project, but for a fraction of the cost. Any technology option that might offer such a capability at such a development cost now stands at a low Technology Readiness Level (TRL) 3, would be based on a nuclear energy source (likely fusion), and would require an extremely high risk (and rapid) development effort. The aggressive, parallel path project management paradigm exemplified by the original Manhattan Project might have the best chance of success. An energy source developed in this manner may also have a major impact on the terrestrial power industry.

power↗

DOE OSTI2023

Interplay of Mechanochemistry and Material Processes in the Graphite to Diamond Phase Transformation

The manifestation of intramolecular strains in covalent systems is widely known to accelerate chemical reactions and open alternative reaction paths. This process is moderately well understood for isolated molecules and unimolecular processes. However, in condensed matter processes such as phase transformations, material properties and structure may influence typical mechanochemical effects. Therefore, we utilize steered molecular dynamics to induce out of plane strains in graphite and compress the system under a constant strain rate to induce phase transformation. We show that the out of plane strain allows phase transformations to initiate at small amounts of compressive strain. Yet, in contrast to typical mechanochemical results, the sum of compressive and out of plane work needed to form a diamond has a local minimum due to altered defect formation processes during phase transformation. Additionally, these altered processes slow the kinetics of the phase transformation, taking longer from initiation to total material transformation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2018

Advancing Torpor Inducing Transfer Habitats for Human Stasis to Mars: II - Phase

SpaceWorks Enterprises, Inc. (SEI) has conducted an evaluation of an advanced habitat system designed to transportcrews between the Earth and Mars. This new and innovative habitat concept is capable of placing crew members ininactive, torpor states during transit phases of a deep space mission. This substantially reduces the mass and size ofthe habitat, which ultimately leads to significant reductions in the overall architecture size.Our approach for achieving this is based on extending the current and evolving medical practice of TherapeuticHypothermia (TH) - a proven and effective treatment for various traumatic injuries. TH is a medical treatment thatlowers a patient's body temperature by just 5 to 10 degrees Fahrenheit causing human metabolic rate to decreasesignificantly and the body to enter an unconscious state. This method avoids the intractable challenges often associatedwith cell metabolic cessation through cryogenic freezing and other highly speculative approaches.The initial results obtained from the research and analysis conducted in the Phase I effort warranted further study ofthis concept and technology. The specific objectives of the continued work include:1. Addressing critical medical aspects and risks for inducing torpor via Therapeutic Hypothermia and theapproach for providing nutrition and hydration for the crew during torpor. 2. Focusing on mitigation aspects and technology potential for solving key human spaceflight challenges. 3. Addressing critical engineering aspects of the design that may impact the initial performance and cost resultsobtained in Phase I. 4. Examining the broader extensibility and enabling capabilities of this concept through applicability toadditional exploration missions beyond Mars. 5. Establishing a technology development roadmap, addressing both medical and engineering aspects, thatindicate a logical and scientifically achievable path forward for maturation of this technology.

Stasis↗