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DOE OSTI2012

Investigation into the Relationship between Heterogeneity and Heavy-Tailed Solute Transport (Final Report)

This project combines outcrop-scale heterogeneity characterization, laboratory experiments, and numerical simulations. The study is designed to test whether established dispersion theory accurately predicts the behavior of solute transport through heterogeneous media and to investigate the relationship between heterogeneity and the parameters that populate these models. The dispersion theory tested by this work is based upon the fractional advection-dispersion equation (fADE) model. Unlike most dispersion studies that develop a solute transport model by fitting the solute transport breakthrough curve, this project will explore the nature of the heterogeneous media to better understand the connection between the model parameters and the aquifer heterogeneity. Our work at the Colorado School of Mines was focused on the following questions: 1) What are the effects of multi-scale geologic variability on transport of conservative and reactive solutes? 2) Can those transport effects be accounted for by classical methods, and if not, can the nonlocal fractional-order equations provide better predictions? 3) Can the fractional-order equations be parameterized through a link to some simple observable geologic features? 4) Are the classical equations of transport and reaction sufficient? 5) What is the effect of anomalous transport on chemical reaction in groundwater systems? The work is predicated on the observation that upscaled transport is defined by loss of information, or spatio-temporal averaging. This averaging tends to make the transport laws such as Fick's 2nd-order diffusion equation similar to central limit theory. The fractional-order advection-dispersion equations rely on limit theory for heavy-tailed random motion that has some diverging moments. The equations predict larger tails of a plume in space and/or time than those predicted by the classical 2nd-order advection-dispersion equation. The heavy tails are often seen in plumes at field sites.

58 GEOSCIENCES↗

DOE OSTI2017

Numerical and Experimental Investigation of Turbulent Transport Control via Shaping of Radial Plasma Flow Profiles

Turbulence, and turbulence-driven transport are ubiquitous in magnetically confined plasmas, where there is an intimate relationship between turbulence, transport, instability driving mechanisms (such as gradients), plasma flows, and flow shear. Though many of the detailed physics of the interrelationship between turbulence, transport, drive mechanisms, and flow remain unclear, there have been many demonstrations that transport and/or turbulence can be suppressed or reduced via manipulations of plasma flow profiles. This is well known in magnetic fusion plasmas [e.g., high confinement mode (H-mode) and internal transport barriers (ITB’s)], and has also been demonstrated in laboratory plasmas. However, it may be that the levels of particle transport obtained in such cases [e.g. H-mode, ITB’s] are actually lower than is desirable for a practical fusion device. Ideally, one would be able to actively feedback control the turbulent transport, via manipulation of the flow profiles. The purpose of this research was to investigate the feasibility of using both advanced model-based control algorithms, as well as non-model-based algorithms, to control cross-field turbulence-driven particle transport through appropriate manipulation of radial plasma flow profiles. The University of New Mexico was responsible for the experimental portion of the project, while our collaborators at the University of Montana provided plasma transport modeling, and collaborators at Lehigh University developed and explored control methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

(U) Transport Corrections in SENSMG

Truncating the spherical harmonics expansion of the neutron scattering source in the Boltzmann transport equation leads to truncation error. Methods for approximately correcting for this truncation error are called transport corrections . The PARTISN multigroup discrete ordinates neutron transport code has several transport correction options. These options can be used in the SENSMG multigroup neutron sensitivity code, which relies on PARTISN for the neutron transport. However, with one exception, the sensitivities computed by SENSMG do not include the effect of transport corrections. Thus, when certain transport corrections are used, SENSMG results are inconsistent with the transport solutions. This report discusses the issues surrounding computing sensitivities when transport corrections are used. Problems and possible solutions are identified.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Understanding and controlling water-organic co-transport in amorphous microporous materials

The transport of molecules in microporous material is a significant and active area of research in separation applications. The movement of vapor/liquid molecules in a high-loading condition in microporous spaces is especially challenging to interrogate. This project aims to understand and control the transport of complex water and organic solvent mixtures in varying structures of microporous carbon molecular sieve (CMS) and activated carbon membranes. Modeling of transport behavior in such carbonaceous samples using computational modeling is difficult due to their amorphous structure. Therefore, this research intends to study the transport mechanism of water-organic mixtures by experimentally revealing fundamental transport properties, such as guest sorption amounts as well as diffusion and permeation rates. Considering the different size and guest-host affinity of water and organic solvent molecules, the objective of this research is to understand the structural conditions within the ultramicropores and micropores that generate different types of molecular transport and selection mechanisms within such complex systems. Carbonaceous materials are developed using tailored pyrolysis techniques to pyrolyze polymeric precursors, including polyvinylidene chloride (PVDC),polyvinylidene fluoride (PVDF), polymer of intrinsic microporosity (PIM) -1, and fully aromatic polyamide. The initial stage of the research will focus on the microscopic diffusion and sorption studies of pure component water, xylene isomers, and n,n- dimethylformamide within various carbons. Additional structural investigation on CMS, such as gas physisorption and neutron scattering studies, will be executed to gain deeper insight into these structure-transport relationships. Scanning electron microscopy and X-ray photoelectron microscopy are also used to further characterize these materials. The research will progress to probe mutual diffusion of complex water-organic mixtures within various CMS microstructures. Competitive sorption and permeation studies of the binary mixtures in different microstructural CMS will be followed. The obtained binary mixture transport parameters were used to predict binary water-organic mixtures transport.

36 MATERIALS SCIENCE↗

NASA NTRS1992

The influence of lunar propellant production on the cost-effectiveness of cislunar transportation systems

It is well known that propellants produced at the points of destination such as the Moon or Mars will help the economy of space transportation, particularly if round trips with a crew are involved. The construction and operation of a lunar base shortly after the turn of the century is one of the space programs under serious consideration at the present time. Space transportation is one of the major cost drivers. With present technology, if expendable launchers were employed, the specific transportation costs of one-way cargo flights would be approximately 10,000 dollars/kg (1985) at life-cycle cumulative 100,000 ton payload to the lunar surface. A fully reusable space transportation system using lunar oxygen and Earth-produced liquid hydrogen (LH2) would reduce the specific transportation costs by one order of magnitude to less than 1000 dollars/kg at the same payload volume. Another case of primary interest is the delivery of construction material and consumables from the lunar surface to the assembly site of space solar power plants in geostationary orbit (GEO). If such a system were technically and economically feasible, a cumulative payload of about 1 million tons or more would be required. At this level a space freighter system could deliver this material from Earth for about 300 dollars/kg (1985) to GEO. A lunar space transportation system using lunar oxygen and a fuel mixture of 50 percent Al and 50 percent LH2 (that has to come from Earth) could reduce the specific transportation costs to less than half, approximately 150 dollars/kg. If only lunar oxygen were available, these costs would come down to 200 dollars/kg. This analysis indicates a sizable reduction of the transportation burden on this type of mission. It should not be overlooked, however, that there are several uncertainties in such calculations. It is quite difficult at this point to calculate the cost of lunar-produced O and/or Al. This will be a function of production rate and life-cycle length. In quoting any cost of this nature, it is very important to state the cumulative transportation volume, since this is a very sensitive parameter. Nevertheless, cost models must be developed now to understand fully the interdependencies of a large number of parameters and to provide the best possible data for planning purposes. Without such data, mission modes and vehicle designs or sizes cannot be selected intelligently.

Koelle, H. H.↗

NASA NTRS1989

Design of a lunar transportation system

The development of a good transportation infrastructure is a major requirement for the establishment of a permanent lunar base. Transportation is characterized by the technology available in a specific time frame and the need to transport personnel and cargo between Earth and Moon, and between lunar bases. In our study, attention was first focused on developing a transportation system for the first generation lunar base. As a first step, a tracked-type multipurpose lunar transportation vehicle was considered as a possible mode of transportation and a detailed study was conducted on the various aspects of the vehicle. Since the vehicle is composed of many moving parts, exposing it to the environment of the Moon, where fine dust particles are prevalent, can cause problems associated with lubrication and friction. The vehicle also posed problems concerning weight and power. Hence, several modifications were made to the above design ideas conceptually, and a Lunar Articulated Remote Transportation System (Lunar ARTS) is proposed as a more effective alternative with the following objectives: (1) minimizing the transportation of construction material and fuel from Earth or maximizing the use of the lunar material; (2) use of novel materials and light-weight structures; (3) use of new manufacturing methods and technology such as magnetic levitation using superconducting materials; and (4) innovative concepts of effectively utilizing the exotic lunar conditions, i.e., high thermal gradients, lack of atmosphere, lower gravity, etc. To achieve the above objectives of designing transportation systems from concept to operation, the project was planned in three phases: (1) conceptual design; (2) detailed analysis and synthesis; and (3) construction, testing, evaluation, and operation. In this project, both phases 1 and 2 have been carried out and work on phase 3 is in progress. In this paper, the details of the Lunar ARTS are discussed and the future work on the vehicle are also outlined.

Sankaravelu, A.↗

NASA NTRS1999

Influence of Transport on Two-Dimensional Model Simulation: 2. Stratospheric Aircraft Perturbations: Stratospheric Aircraft Perturbations - 2

We have adopted the transport scenarios used in Part 1 to examine the sensitivity of stratospheric aircraft perturbations to transport changes in our 2-D model. Changes to the strength of the residual circulation in the upper troposphere and stratosphere and changes to the lower stratospheric K(sub zz) had similar effects in that increasing the transport rates decreased the overall stratospheric residence time and reduced the magnitude of the negative perturbation response in total ozone. Increasing the stratospheric K(sub yy) increased the residence time and enhanced the global scale negative total ozone response. However, increasing K(sub yy) along with self-consistent increases in the corresponding planetary wave drive, which leads to a stronger residual circulation, more than compensates for the K(sub yy)-effect, and results in a significantly weaker perturbation response, relative to the base case, throughout the stratosphere. We found a relatively minor model perturbation response sensitivity to the magnitude of K(sub yy) in the tropical stratosphere, and only a very small sensitivity to the magnitude of the horizontal mixing across the tropopause and to the strength of the mesospheric gravity wave drag and diffusion. These transport simulations also revealed a generally strong correlation between passive NO(sub y) accumulation and age of air throughout the stratosphere, such that faster transport rates resulted in a younger mean age and a smaller NO(y) mass accumulation. However, specific variations in K(sub yy) and mesospheric gravity wave strength exhibited very little NO(sub y)-age correlation in the lower stratosphere, similar to 3-D model simulations performed in the recent NASA "Models and Measurements" II analysis. The base model transport, which gives the most favorable overall comparison with inert tracer observations, simulated a global/annual mean total ozone response of -0.59%, with only a slightly larger response in the northern compared to the southern hemisphere. For transport scenarios which gave tracer simulations within some agreement with measurements, the annual/globally averaged total ozone response ranged from -0.45% to -0.70%. Our previous 1995 model exhibited overly fast transport rates, resulting in a global/annually averaged perturbation total ozone response of -0.25%, which is significantly weaker compared to the 1999 model. This illustrates how transport deficiencies can bias model simulations of stratospheric aircraft.

Fleming, Eric L.↗

NASA NTRS1998

Seasonal Cycles of Meridional Overturning and Heat Transport of the Indian Ocean

A general circulation model of the Indian Ocean is fitted to monthly averaged climatological temperatures, salinities, and surface fluxes using the adjoint method. Interannual variability is minimized by penalizing the temporal drift from one seasonal cycle to another during a two-year integration. The resultant meridional overturning and heat transport display large seasonal variations, with maximum amplitudes of 18 and 22 (x 10(exp 6) cubic m/s) for the overturning and 1.8 and 1.4 (x 10(exp 15) W) for heat transport near 10 S and 10 N, respectively. A dynamical decomposition of the overturning and heat transport shows that the time-varying Ekman How plus its barotropic compensation can explain a large part of the seasonal variations in overturning and heat transport. The maximum variations at 10 deg N and 10 deg S are associated with monsoon reversal over the northern Indian Ocean and changes of the easterlies over the southern Indian Ocean. An external mode with variable topography has a moderate contribution where the Somali Current and the corresponding gyre reverse direction seasonally. Contribution front vertical shear (thermal wind and ageostrophic shear) is dominant near the southern boundary and large near the Somali Current latitudes. The dominant balance in the zonally integrated heat budget is between heat storage change and heat transport convergence except south of 15 S. Optimization with seasonal forcings improves estimates of sea surface temperatures, but the annual average overturning and heat transport are very similar to previous results with annual mean forcings. The annual average heat transport consists of roughly equal contributions from time-mean and time-varying fields of meridional velocities and temperatures in the northern Indian Ocean. indicating a significant rectification to the heat transport due to the time-varying fields. The time-mean and time-varying contributions are primarily due to the overturning and horizontal gyre, respectively. Inclusion of TOPEX data enhances the seasonal cycles of the estimated overturning and heat transport in the central Indian Ocean significantly and improves the estimated equatorial zonal flows but leads 10 unrealistic estimates of the velocity structure near the Indonesian Throughflow region, most likely owing to the deficiencies in the lateral boundary conditions.

Lee, Tong↗

NASA NTRS1984

The role of hormone transport and metabolism in apical dominance in oats

14C-benzyladenine (BA) and 14C-indole-3-acetic acid (IAA) were used to study hormone transport to the tiller bud and hormone catabolism in excised oat stem segments. Acropetal BA transport was greatest from upright stem segments to tiller buds suppressed by apical dominance. IAA, abscisic acid (ABA), and C2H4 inhibited BA transport to the tiller bud. IAA transport to the tiller bud site was inhibited by BA, C2H4, or after gravistimulation, which affected BA transport to a lesser extent than IAA transport. Multiple peaks of radioactivity were observed in 14C-BA- or 14C-IAA-treated stem segments after 9 h of transport. IAA, ABA, and C2H4 promoted BA catabolism. Auxin, ABA, and C2H4 may inhibit tiller bud release by inhibiting cytokinin transport to the tiller bud and by promoting cytokinin catabolism. Gravistimulation may promote tiller release by inhibiting IAA transport to the tiller bud and allowing cytokinins to accumulate there preferentially.

Plant Growth Regulators/metabolism/pharmacokinetic↗

NASA NTRS2000

Basipetal auxin transport is required for gravitropism in roots of Arabidopsis

Auxin transport has been reported to occur in two distinct polarities, acropetally and basipetally, in two different root tissues. The goals of this study were to determine whether both polarities of indole-3-acetic acid (IAA) transport occur in roots of Arabidopsis and to determine which polarity controls the gravity response. Global application of the auxin transport inhibitor naphthylphthalamic acid (NPA) to roots blocked the gravity response, root waving, and root elongation. Immediately after the application of NPA, the root gravity response was completely blocked, as measured by an automated video digitizer. Basipetal [(3)H]IAA transport in Arabidopsis roots was inhibited by NPA, whereas the movement of [(14)C]benzoic acid was not affected. Inhibition of basipetal IAA transport by local application of NPA blocked the gravity response. Inhibition of acropetal IAA transport by application of NPA at the root-shoot junction only partially reduced the gravity response at high NPA concentrations. Excised root tips, which do not receive auxin from the shoot, exhibited a normal response to gravity. The Arabidopsis mutant eir1, which has agravitropic roots, exhibited reduced basipetal IAA transport but wild-type levels of acropetal IAA transport. These results support the hypothesis that basipetally transported IAA controls root gravitropism in Arabidopsis.

Non-NASA Center↗

NASA NTRS2004

Reduced Gravity Studies of Soret Transport Effects in Liquid Fuel Combustion

Soret transport, which is mass transport driven by thermal gradients, can be important in practical flames as well as laboratory flames by influencing transport of low molecular weight species (e.g., monatomic and diatomic hydrogen). In addition, gas-phase Soret transport of high molecular weight fuel species that are present in practical liquid fuels (e.g., octane or methanol) can be significant in practical flames (Rosner et al., 2000; Dakhlia et al., 2002) and in high pressure droplet evaporation (Curtis and Farrell, 1992), and it has also been shown that Soret transport effects can be important in determining oxygen diffusion rates in certain classes of microgravity droplet combustion experiments (Aharon and Shaw, 1998). It is thus useful to obtain information on flames under conditions where Soret effects can be clearly observed. This research is concerned with investigating effects of Soret transport on combustion of liquid fuels, in particular liquid fuel droplets. Reduced-gravity is employed to provide an ideal (spherically-symmetrical) experimental model with which to investigate effects of Soret transport on combustion. The research will involve performing reduced-gravity experiments on combustion of liquid fuel droplets in environments where Soret effects significantly influence transport of fuel and oxygen to flame zones. Experiments will also be performed where Soret effects are not expected to be important. Droplets initially in the 0.5 to 1 mm size range will be burned. Data will be obtained on influences of Soret transport on combustion characteristics (e.g., droplet burning rates, droplet lifetimes, gas-phase extinction, and transient flame behaviors) under simplified geometrical conditions that are most amenable to theoretical modeling (i.e., spherical symmetry). The experiments will be compared with existing theoretical models as well as new models that will be developed. Normal gravity experiments will also be performed.

Shaw, Benjamin D.↗

NASA NTRS2012

Impacts of the Convective Transport Algorithm on Atmospheric Composition and Ozone-Climate Feedbacks in GEOS-CCM

Convective transport is one of the dominant factors in determining the composition of the troposphere. It is the main mechanism for lofting constituents from near-surface source regions to the middle and upper troposphere, where they can subsequently be advected over large distances. Gases reaching the upper troposphere can also be injected through the tropopause and play a subsequent role in the lower stratospheric ozone balance. Convection codes in climate models remain a great source of uncertainty for both the energy balance of the general circulation and the transport of constituents. This study uses the Goddard Earth Observing System Chemistry-Climate Model (GEOS CCM) to perform a controlled experiment that isolates the impact of convective transport of constituents from the direct changes on the atmospheric energy balance. Two multi-year simulations are conducted. In the first, the thermodynamic variable, moisture, and all trace gases are transported using the multi-plume Relaxed-Arakawa-Schubert (RAS) convective parameterization. In the second simulation, RAS impacts the thermodynamic energy and moisture in this standard manner, but all other constituents are transported differently. The accumulated convective mass fluxes (including entrainment and detrainment) computed at each time step of the GCM are used with a diffusive (bulk) algorithm for the vertical transport, which above all is less efficient at transporting constituents from the lower to the upper troposphere. Initial results show the expected differences in vertical structure of trace gases such as carbon monoxide, but also show differences in lower stratospheric ozone, in a region where it can potentially impact the climate state of the model. This work will investigate in more detail the impact of convective transport changes by comparing the two simulations over many years (1996-2010), focusing on comparisons with observed constituent distributions and similarities and differences of patterns of inter-annual variability caused by the convective transport algorithm. In particular, the impact on lower stratospheric composition will be isolated and the subsequent feedbacks of ozone on the climate forcing and tropopause structure will be assessed.

Pawson, S.↗

NASA NTRS2016

Large Payload Ground Transportation and Test Considerations

During test and verification planning for the Altair lunar lander project, a National Aeronautics and Space Administration (NASA) study team identified several ground transportation and test issues related to the large payload diameter. Although the entire Constellation Program-including Altair-has since been canceled, issues identified by the Altair project serve as important lessons learned for payloads greater than 7 m diameter being considered for NASA's new Space Launch System (SLS). A transportation feasibility study found that Altair's 8.97 m diameter Descent Module would not fit inside available aircraft. Although the Ascent Module cabin was only 2.35 m diameter, the long reaction control system booms extended nearly to the Descent Module diameter, making it equally unsuitable for air transportation without removing the booms and invalidating assembly workmanship screens or acceptance testing that had already been performed. Ground transportation of very large payloads over extended distances is not generally permitted by most states, so overland transportation alone would not be an option. Limited ground transportation to the nearest waterway may be possible, but water transportation could take as long as 66 days per production unit, depending on point of origin and acceptance test facility; transportation from the western United States would require transit through the Panama Canal to access the Kennedy Space Center launch site. Large payloads also pose acceptance test and ground processing challenges. Although propulsion, mechanical vibration, and reverberant acoustic test facilities at NASA's Plum Brook Station have been designed to accommodate large spacecraft, special handling and test work-arounds may be necessary, which could increase cost, schedule, and technical risk. Once at the launch site, there are no facilities currently capable of accommodating the combination of large payload size and hazardous processing such as hypergolic fuels, pyrotechnic devices, and high pressure gasses. Ironically, the limiting factor to a national heavy lift strategy may not be the rocket technology needed to throw a heavy payload, but rather the terrestrial infrastructure-roads, bridges, airframes, and buildings-necessary to transport, acceptance test, and process large spacecraft. Failure to carefully consider where and how large spacecraft are manufactured, tested, and launched could result in unforeseen cost to modify existing (or develop new) infrastructure, or incur additional risk due to increased handling operations or eliminating key verifications.

Rucker, Michelle A.↗

NASA NTRS2016

Large Payload Ground Transportation and Test Considerations

Many spacecraft concepts under consideration by the National Aeronautics and Space Administration’s (NASA’s) Evolvable Mars Campaign take advantage of a Space Launch System payload shroud that may be 8 to 10 meters in diameter. Large payloads can theoretically save cost by reducing the number of launches needed--but only if it is possible to build, test, and transport a large payload to the launch site in the first place. Analysis performed previously for the Altair project identified several transportation and test issues with an 8.973 meters diameter payload. Although the entire Constellation Program—including Altair—has since been canceled, these issues serve as important lessons learned for spacecraft designers and program managers considering large payloads for future programs. A transportation feasibility study found that, even broken up into an Ascent and Descent Module, the Altair spacecraft would not fit inside available aircraft. Ground transportation of such large payloads over extended distances is not generally permitted, so overland transportation alone would not be an option. Limited ground transportation to the nearest waterway may be possible, but water transportation could take as long as 67 days per production unit, depending on point of origin and acceptance test facility; transportation from the western United States would require transit through the Panama Canal to access the Kennedy Space Center launch site. Large payloads also pose acceptance test and ground processing challenges. Although propulsion, mechanical vibration, and reverberant acoustic test facilities at NASA’s Plum Brook Station have been designed to accommodate large spacecraft, special handling and test work-arounds may be necessary, which could increase cost, schedule, and technical risk. Once at the launch site, there are no facilities currently capable of accommodating the combination of large payload size and hazardous processing such as hypergolic fuels, pyrotechnic devices, and high pressure gasses. Ironically, the limiting factor to a national heavy lift strategy may not be the rocket technology needed to throw a heavy payload, but rather the terrestrial infrastructure—roads, bridges, airframes, and buildings—necessary to transport, acceptance test, and process large spacecraft. Failure to carefully consider where and how large spacecraft are manufactured, tested, and launched could result in unforeseen cost to modify existing (or develop new) infrastructure, or incur additional risk due to increased handling operations or eliminating key verifications. Although this paper focuses on the canceled Altair spacecraft as a case study, the issues identified here have wide applicability to other large payloads, including concepts under consideration for NASA’s Evolvable Mars Campaign.

Rucker, Michelle A.↗

NASA NTRS2017

System-of-Systems Considerations in the Notional Development of a Metropolitan Aerial Transportation System

There are substantial future challenges related to sustaining and improving efficient, cost-effective, and environmentally friendly transportation options for urban regions. Over the past several decades there has been a worldwide trend towards increasing urbanization of society. Accompanying this urbanization are increasing surface transportation infrastructure costs and, despite public infrastructure investments, increasing surface transportation "gridlock." In addition to this global urbanization trend, there has been a substantial increase in concern regarding energy sustainability, fossil fuel emissions, and the potential implications of global climate change. A recently completed study investigated the feasibility of an aviation solution for future urban transportation (refs. 1, 2). Such an aerial transportation system could ideally address some of the above noted concerns related to urbanization, transportation gridlock, and fossil fuel emissions (ref. 3). A metro/regional aerial transportation system could also provide enhanced transportation flexibility to accommodate extraordinary events such as surface (rail/road) transportation network disruptions and emergency/disaster relief responses.

Alonso, Juan J.↗

NASA NTRSDate not supplied

Mixed-Domain Charge Transport in S-Se Alloys as a Li-S Battery Cathode Material

Lithium-sulfur batteries are emerging candidate systems for the next-generation long-range electric aircraft application owing to their potential to deliver high energy density per weight. Their cathodes are to be made primarily with sulfur, but sulfur by itself has much too low electron conductivity to serve as a useful cathode. An idea that has been suggested to overcome this bottleneck is to alloy sulfur with selenium in the hope that electron mobility, which is thought to improve charge transport at some expense of increased weight and reduced energy density. However, understanding of these alloy structures and their transport mechanism is insufficient, and electron mobility at varying degrees of selenium content is not well charted, which are critical for determining the optimum selenium content and testing whether this strategy is generally feasible. The difficulty of computationally characterizing these alloy systems is rooted in the structure. The structures of both sulfur and selenium exhibit eight-atom rings that pack together in various orientations to form their respective crystals. For one, because these crystals (and presumably their alloys as well) feature multiple polymorphs such that their structural coherence is rather unclear. Secondly, these are also relatively large systems (32 atoms per cell) with low-symmetry, which complicate computation both in terms of accuracy and efficiency. Thirdly, such semi-molecular, semi-crystalline structures lead to a combination of band-transport characteristics and hopping-transport characteristics, each of which is a domain with its own physics and set of computational, theoretical challenges. In addition, there is a general dearth of experimental transport data for sulfur-selenium alloys. In this study, we make a comprehensive attempt to tackle this problem using a wide array of first-principles methods. We generate special quasirandom structures to simulate alloy structures, and compute their first-principles Raman spectra for comparison with experimental data to ensure their structural soundness. We then proceed to use recently developed, state-of-the-art tool (AMSET) in order to efficiently compute electronic mobilities under band transport of pure sulfur, pure selenium, as well as their alloys of various compositions at a reasonable accuracy. We then sample numerous dimer configurations of nearest-neighbor eight-atom-ring-pairs and compute electronic hopping rates between them, which yields hopping mobility. A combination of these efforts lead to a general mapping of electron transport behaviors throughout the alloy range. Preliminary results show that introduction of selenium into sulfur initially damages electron mobility due to disorder but eventually improves it beyond that of pure sulfur with additional selenium content, ultimately peaking at the pure-selenium limit. Band transport dominates for holes in sulfur and electrons in selenium, but in all other cases, hopping transport is dominant. Ongoing efforts include determination of charge concentration and conductivity, as well as performing multiphysics modeling to determine the optimum selenium content for best tradeoff between conductivity and energy density for aircraft range.

Junsoo Park↗

NASA NTRSDate not supplied

In-Space Transportation Sensitivity to Roundtrip Mission Duration and Mars Vicinity Stay Time

The National Aeronautics and Space Administration’s Exploration Systems Development Mission Directorate has been developing architecture concepts for human missions to Mars in alignment with the agency’s Moon-to-Mars Strategy & Objectives. One of the key components of a human Mars mission is the in-space transportation system that delivers crew and cargo to Mars vicinity and returns the crew safely back to Earth. The Mars Architecture Team within ESDMD’s Strategy and Architecture Office has been evaluating multiple in-space transportation options to satisfy this functional need. The first step of this evaluation is to understand key architectural drivers for in-space transportation systems. Lunar and Mars missions have unique challenges, and systems designed for one may not be directly applicable to the other as they have different energy and mission needs. In addition, the time and distance for a Mars mission will be drastically different from the historical and current programs, requiring a new paradigm for mission architects. This paper investigates the impact of mission duration on a variety of different transportation options. As mission duration decreases, the total energy required to perform a roundtrip Mars mission increases exponentially, significantly increasing the required Earth departure mass. Sensitivity analyses of various in-space transportation system concepts were shown in this paper to begin mapping out the in-space transportation trade space. Each of the transportation systems has its own strengths and weaknesses, especially in the context of the continuous mission duration and vicinity stay time trade space. Although mission duration and Mars vicinity stay time may be key architecture drivers from an in-space transportation perspective, the decision of acceptable mission duration cannot be made solely from this perspective. Mission duration also has tangible impacts to crew health and performance, as well as system reliability and other key architecture considerations. The integrated nature of the architecture decision road map will be the primary focus of the Mars Architecture Team in the coming analysis cycle. This in-space transportation analysis will serve as the first guidepost of this critical activity that will guide the Moon-to-Mars Architecture into the humans to Mars segment.

Mars↗

NASA NTRSDate not supplied

In-Space Transportation Sensitivity to Roundtrip Mission Duration and Mars Vicinity Stay Time

Mars↗