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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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Ceres Planetary Mission Concept Study: Exploration of Ceres' Habitability

Dwarf planet Ceres is a compelling target as an evolved ocean world with recent and potentially ongoing geological activity. As the most water-rich body in the inner solar system after Earth (in absolute abundance), it is a representative of the population of planetesimals that brought volatiles and organics to the inner solar system. And, situated in the Main Belt of Asteroids, it is accessible enough to return a sample from within the resources of a typical medium-class (New Frontiers) NASA mission. Habitability is addressed via a combination of geological, geophysical, and compositional investigations. Past and ongoing activity is addressed via high-resolution imaging and gravity measurements from orbit near landforms interpreted as volcanic structures based on the Dawn observations. The depth of deep brines would be probed via electromagnetic sounding. Sample return would enable a vast range of experimental techniques to be applied with sensitivities and accuracies beyond those feasible with in situ instruments and would benefit from future facilities developments. Sample return could be executed with a single flight system with solar electric propulsion. The baseline design of the sample return capsule is inherited from the OSIRIS-REx mission. This concept also relies on the availability of key technologies: an enhanced landing vision system leveraging investments for Mars 2020; retractable/redeployable solar arrays, which have been demonstrated on the International Space Station but not at Ceres’ gravity; and a new design for sample transfer from the pneumatic sampling system to the sample return capsule based off Honeybee Robotics’ design for the MMX mission. The authors acknowledge support from NASA’s Planetary Mission Concept Study program. The information in this abstract is pre-decisional and is provided for planning and discussion purposes only.

K. E. Miller↗
NASA NTRS2004

The Generation-X X-ray Observatory Vision Mission and Technology Study

The new frontier in astrophysics is the study of the birth and evolution of the first stars, galaxies and black holes in the early Universe. X-ray astronomy opens a window into these objects by studying the emission from black holes, supernova explosions and the gamma-ray burst afterglows of massive stars. However, such objects are beyond the grasp of current or near-future observatories. X-ray imaging and spectroscopy of such distant objects will require an X-ray telescope with large collecting area and high angular resolution. Our team has conceived the Generation-X Vision Mission based on an X-ray observatory with 100 sq m collecting area at 1 keV (1000 times larger than Chandra) and 0.1 arcsecond angular resolution (several times better than Chandra and 50 times better than the Constellation-X resolution goal). Such an observatory would be capable of detecting the earliest black holes and galaxies in the Universe, and will also study extremes of density, gravity, magnetic fields, and kinetic energy which cannot be created in laboratories. NASA has selected the Generation-X mission for study under its Vision Mission Program. We describe the studies being performed to develop the mission concept and define candidate technologies and performance requirements for Generation-X. The baseline Generation-X mission involves four 8m diameter X-ray telescopes operating at Sun-Earth L2. We trade against an alternate concept of a single 26m diameter telescope with focal plane instruments on a separate spacecraft. A telescope of this size will require either robotic or human-assisted in-flight assembly. The required effective area implies that extremely lightweight grazing incidence X-ray optics must be developed. To achieve the required aerial density of at least 100 times lower than in Chandra, we will study 0.1mm thick mirrors which have active on-orbit figure control. We discuss the suite of required detectors, including a large FOV high angular resolution imager, a cryogenic imaging spectrometer and a grating spectrometer. We outline the development roadmap to confront the many technological challenges far implementing the Generation-X mission.

Figueroa-Feliciano, Enectali↗
NASA NTRS2003

Enabling Sustainable Exploration through the Commercial Development of Space

The commercial development of space offers enabling benefits to space exploration. This paper examines how those benefits can be realized, and how the Space Product Development Office of the National Aeronautics and Space Administration is taking the first steps towards opening the space frontier through vital and sustainable industrial development. The Space Product Development Office manages 15 Commercial Space Centers that partner with US industry to develop opportunities for commerce in space. This partnership directly benefits NASA exploration in four primary ways. First, by actively involving traditional and non-traditional companies in commercial space activities, it seeks and encourages to the maximum extent possible the fullest commercial use of space, as directed by NASA's charter. Second, the commercial research and technologies pursued and developed in the program often have direct applicability to NASA priority mission areas. This dual use strategy for research and technology has the potential to greatly expand what the NASA scientific community can do. Third, the commercial experiment hardware developed by the Commercial Space Centers and their industrial partners is available for use by NASA researchers in support of priority NASA research. By utilizing low cost and existing commercial hardware, essential NASA research can be more readily accomplished. Fourth, by assisting industry in understanding the use of the environment of space and in helping industry enhance the tools and technologies for NASA and commercial space systems, the market for commercial space utilization and the capability for meeting the future growing market needs is being developed. These two activities taken together form the beginning of a new space economy that will enable sustainable NASA exploration of the universe.

Nall, Mark↗
NASA NTRS2007

Science in Exploration: From the Moon to Mars and Back Home to Earth

NASA is embarking on a grand journey of exploration that naturally integrates the past successes of the Apollo missions to the Moon, as well as robotic science missions to Mars, to Planet Earth, and to the broader Universe. The US Vision for Space Exporation (VSE) boldly lays out a plan for human and robotic reconnaissance of the accessible Universe, starting with the surface of the Moon, and later embracing the surface of Mars. Sustained human and robotic access to the Moon and Mars will enable a new era of scientific investigation of our planetary neighbors, tied to driving scientific questions that pertain to the evolution and destiny of our home planet, but which also can be related to the search habitable worlds across the nearby Universe. The Apollo missions provide a vital legacy for what can be learned from the Moon, and NASA is now poised to recapture the lunar frontier starting with the flight of the Lunar Reconnaissance Orbiter (LRO) in late 2008. LRO will provide a new scientific context from which joint human and robotic exploration will ensue, guided by objectives some of which are focused on the grandest scientific challenges imaginable : Where did we come from? Are we alone? and Where are we going? The Moon will serve as an essential stepping stone for sustained human access and exploration of deep space and as a training ground while robotic missions with ever increasing complexity probe the wonders of Mars. As we speak, an armada of spacecraft are actively investigating the red planet both from orbit (NASA's Mars Reconnaissance Orbiter and Mars Odyssey Orbiter, plus ESA's Mars Express) and from the surface (NASA's twin Mars Exploration Rovers, and in 2008 NASA's Phoenix polar lander). The dramatically changing views of Mars as a potentially habitable world, with its own flavor of global climate change and unique climate records, provides a new vantage point from which to observe and question the workings of our own planet Earth. By 2010 NASA will have its first mobile analytical laboratory operating on the surface of Mars (Mars Science Laboratory) in search of potentially subtle expressions of past life or at least of life-hospitable environments. Meanwhile back here on Planet Earth, NASA will be continuing to implement an increasingly comprehensive program of robotic missions that address major issues associated with global climate variability, and the "state variables" that affect the quality of human life on our home planet. Ultimately, the fmits of NASA's emergent program of Exploration (VSE) will provide never-beforepossible opportunities for scientific leadership and advancement, culminating in a new state of awareness from which to better plan for the sustainability of life on Earth and for extending Earth life to the Moon and eventually to Mars. As NASA nears its 50th anniversary, the unimaginable and unexpected wealth of strategic knowledge its missions have generated about Earth, the Universe, and our local Solar System boggles the mind and serves as a legacy of knowledge for Educators to inspire future generations.

Garvin, James B.↗
NASA NTRS2020

System Engineering a Solar Thermal Propulsion Mission Concept for Rapid Interstellar Medium Access

The interstellar medium (ISM) represents the next frontier in space exploration, with many new discoveries to be made. The challenge, being so far away from Earth, the ISM requires many decades to reach. To advance our knowledge of what exists beyond our Solar System, new approaches for rapid access are required. One such approach is solar thermal propulsion (STP). The approach uses several Venus and Earth gravity assists to fly to Jupiter and use its gravity well to dive towards the Sun. Approaching within 3 solar radii a perihelion burn would be performed, maximizing the spacecraft’s ΔV to achieve high Solar System escape velocities. A unique aspect of the STP mission concept is that the Sun is not only used as a gravity well for an Oberth manoeuvre, but also to heat the fuel to ultra-high-temperatures (>3000 K), enabling a monopropellant burn with high specific impulse (Isp). Prior preliminary studies indicated escape velocities of over 20 astronomical unit (AU)/yr would be possible. An in-depth modelling exercise was undertaken to determine how such a system would perform. The model in this paper showed the current STP design is capable of providing just under 9±1 AU/yr, but there are many technology developments that could increase escape velocity. The technologies vary from items that could be implemented in the near term, like turbo-pumps driven by the hydrogen, to items requiring more extensive development programs like thin coatings which do not erode in superheated hydrogen. After reviewing the STP approach, and comparing it to a solid rocket motor (SRM), it was found that with currently available technology, SRM outperforms STP with an escape velocity of approximately 10-12 AU/yr. However, future advances in heat exchanger lining materials, turbo pumps, and advanced heat exchanger geometries may enable solar thermal propulsion to provide higher escape velocities, providing one of the fastest ways to exit the solar system. Ultimately, if all technology paths could be implemented with minimal side effects, the performance in a best-case scenario could reach up to 16 AU/yr.

Alkalai, Leon↗
NASA NTRS2007

Human Space Exploration: The Moon, Mars, and Beyond

America is returning to the Moon in preparation for the first human footprint on Mars, guided by the U.S. Vision for Space Exploration. This presentation will discuss NASA's mission, the reasons for returning to the Moon and going to Mars, and how NASA will accomplish that mission in ways that promote leadership in space and economic expansion on the new frontier. The primary goals of the Vision for Space Exploration are to finish the International Space Station, retire the Space Shuttle, and build the new spacecraft needed, to return people to the Moon and go to Mars. The Vision commits NASA and the nation to an agenda of exploration that also includes robotic exploration and technology development, while building on lessons learned over 50 years of hard-won experience. Why the Moon? Many questions about the Moon's potential resources and how its history is linked to that of Earth were spurred by the brief Apollo explorations of the 1960s and 1970s. This new venture will carry more explorers to more diverse landing sites with more capable tools and equipment for extended expeditions. The Moon also will serve as a training ground before embarking on the longer, more difficult trip to Mars. NASA plans to build a lunar outpost at one of the lunar poles, learn to live off the land, and reduce dePendence on Earth for longer missions. America needs to extend its ability to survive in hostile environments close to our home planet before astronauts will reach Mars, a planet very much like Earth. NASA has worked with scientists to define lunar exploration goals and is addressing the opportunities for a range of scientific study on Mars. In order to reach the Moon and Mars within a lifetime and within budget, NASA is building on common hardware, shared knowledge, and unique experience derived from the Apollo Saturn, Space Shuttle and contemporary commercial launch vehicle programs. The journeys to the Moon and Mars will require a variety of vehicles, including the Ares I Crew Launch Vehicle, which transports the Orion Crew Exploration Vehicle, and the Ares V Cargo Launch Vehicle, which transports the Lunar Surface Access Module. The architecture for the lunar missions will use one launch to ferry the crew into orbit, where it will rendezvous with the Lunar Module in the Earth Departure Stage, which will then propel the combination into lunar orbit. The imperative to explore space with the combination of astronauts and robots will be the impetus for inventions such as solar power and water and waste recycling. This next chapter in NASA's history promises to write the next chapter in American history, as well. It will require this nation to provide the talent to develop tools, machines, materials, processes, technologies, and capabilities that can benefit nearly all aspects of life on Earth. Roles and responsibilities are shared between a nationwide Government and industry team. The Exploration Launch Projects Office at the Marshall Space Flight Center manages the design, development, testing, and evaluation of both vehicles and serves as lead systems integrator. A little over a year after it was chartered, the Exploration Launch Projects team is testing engine components, refining vehicle designs, performing wind tunnel tests, and building hardware for the first flight test of Ares I-l, scheduled for spring 2009. The U.S. Vision for Space Exploration lays out a roadmap for a long-term venture of discovery. This endeavor will inspire and attract the best and brightest students to power this nation successfully to the Moon, Mars, and beyond. If one equates the value proposition for space with simple dollars and cents, the potential of the new space economy is tremendous, from orbital space delivery services for the International Space Station to mining and solar energy collection on the Moon and asteroids. The Vision for Space Exploration is fundamentally about bringing the resources of the solar system within the economic sphere of humaind. Given the immense size of our solar system, the amount of available material and energy within it present an enormous economic opportunity.

Sexton, Jeffrey D.↗
NASA NTRS2006

Laboratory Spectroscopy of Large Carbon Molecules and Ions in Support of Space Missions. A New Generation of Laboratory & Space Studies

Polycyclic Aromatic Hydrocarbons (PAHs) are an important and ubiquitous component of carbon-bearing materials in space. A long-standing and major challenge for laboratory astrophysics has been to measure the spectra of large carbon molecules in laboratory environments that mimic (in a realistic way) the physical conditions that are associated with the interstellar emission and absorption regions [1]. This objective has been identified as one of the critical Laboratory Astrophysics objectives to optimize the data return from space missions [2]. An extensive laboratory program has been developed to assess the properties of PAHs in such environments and to describe how they influence the radiation and energy balance in space. We present and discuss the gas-phase electronic absorption spectra of neutral and ionized PAHs measured in the UV-Visible-NIR range in astrophysically relevant environments and discuss the implications for astrophysics [1]. The harsh physical conditions of the interstellar medium characterized by a low temperature, an absence of collisions and strong VUV radiation fields - have been simulated in the laboratory by associating a pulsed cavity ringdown spectrometer (CRDS) with a supersonic slit jet seeded with PAHs and an ionizing, penning-type, electronic discharge. We have measured for the {\it first time} the spectra of a series of neutral [3,4] and ionized [5,6] interstellar PAHs analogs in the laboratory. An effort has also been attempted to quantify the mechanisms of ion and carbon nanoparticles production in the free jet expansion and to model our simulation of the diffuse interstellar medium in the laboratory [7]. These experiments provide {\it unique} information on the spectra of free, large carbon-containing molecules and ions in the gas phase. We are now, for the first time, in the position to directly compare laboratory spectral data on free, cold, PAH ions and carbon nano-sized carbon particles with astronomical observations in the UV-NIR range (interstellar UV extinction, DIBs in the NUV-NIR range). This new phase offers tremendous opportunities for the data analysis of current and upcoming space missions geared toward the detection of large aromatic systems Le., the "new frontier space missions" (Spitzer, HST, COS, JWST, SOFIA,...).

Salama, Farid↗
NASA NTRS2011

AVIATR - Aerial Vehicle for In-situ and Airborne Titan Reconnaissance A Titan Airplane Mission Concept

We describe a mission concept for a stand-alone Titan airplane mission: Aerial Vehicle for In-situ and Airborne Titan Reconnaissance (AVIATR). With independent delivery and direct-to-Earth communications, AVIATR could contribute to Titan science either alone or as part of a sustained Titan Exploration Program. As a focused mission, AVIATR as we have envisioned it would concentrate on the science that an airplane can do best: exploration of Titan's global diversity. We focus on surface geology/hydrology and lower-atmospheric structure and dynamics. With a carefully chosen set of seven instruments-2 near-IR cameras, 1 near-IR spectrometer, a RADAR altimeter, an atmospheric structure suite, a haze sensor, and a raindrop detector-AVIATR could accomplish a significant subset of the scientific objectives of the aerial element of flagship studies. The AVIATR spacecraft stack is composed of a Space Vehicle (SV) for cruise, an Entry Vehicle (EV) for entry and descent, and the Air Vehicle (AV) to fly in Titan's atmosphere. Using an Earth-Jupiter gravity assist trajectory delivers the spacecraft to Titan in 7.5 years, after which the AVIATR AV would operate for a 1-Earth-year nominal mission. We propose a novel 'gravity battery' climb-then-glide strategy to store energy for optimal use during telecommunications sessions. We would optimize our science by using the flexibility of the airplane platform, generating context data and stereo pairs by flying and banking the AV instead of using gimbaled cameras. AVIATR would climb up to 14 km altitude and descend down to 3.5 km altitude once per Earth day, allowing for repeated atmospheric structure and wind measurements all over the globe. An initial Team-X run at JPL priced the AVIATR mission at FY10 $715M based on the rules stipulated in the recent Discovery announcement of opportunity. Hence we find that a standalone Titan airplane mission can achieve important science building on Cassini's discoveries and can likely do so within a New Frontiers budget.

UAV↗
NASA NTRS2024

Enabling America on the Space Frontier: The Evolution of NASA’s Commercial Space Development Toolkit

Throughout NASA’s history, the Agency has supported the development and growth of the U.S. commercial space sector via various mechanisms that have nurtured the technology, companies, people, and ideas driving an industry that today is a significant contributor to the American and global economies. This report identifies 17 such mechanisms and qualitatively examines how they have been applied across four distinct periods in NASA’s history: 1915–1960, which covers NASA’s predecessor, the National Advisory Committee on Aeronautics (NACA), and NASA’s pre-Apollo years; 1961–1980, the Apollo era; 1981–2010, the Space Shuttle era; and 2011–present, the post-Shuttle commercial era. These eras are defined by dominant technologies, programs, or economic trends. Not all 17 mechanisms were applied during each era; some are relatively recent conceptions, while others have been used throughout the history of NASA and NACA. Additionally, there is inevitably some overlap between the mechanisms; this overlap adds an element of subjectivity to the categorizations in this report. In most eras, and for most mechanisms, there are far more examples than can reasonably be summarized in a single document. Therefore, this report should not be considered an exhaustive review of every iteration of any given mechanism’s implementation. Finally, with many of these mechanisms, such as contracts, commercial space capabilities sometimes resulted as a serendipitous by-product rather than a planned outcome.

economic policy↗
NASA NTRS2019

Method for Tracking and Communicating Aggregate Risk Through the Use of Model-Based Systems Engineering (MBSE) Tools

Large, complex projects can identify a significant number and variety of risks, throughout the project life cycle. These risks are analyzed, mitigated, closed or accepted as independent uncertainties. Once closed or accepted, it is easy for projects to lose awareness of their impact. In reality, each of these risks contributes some amount to the overall risk posture of the project. The ability to track and effectively communicate this aggregate risk has represented a challenge to project management. There have been previous attempts to create a schema to communicate the aggregate effect of risks, without notable success. Most of these attempts have centered on some additive metric derived from the scoring of likelihood and consequence values. This, in and of itself, is a logical approach, but all too often the scores were then aggregated to a level where all context was lost. One weakness has been a lack of attempt to create linkages or logical groups of the risks upon which useful aggregation could then occur. The overall move to model-based (systems) engineering (MBSE) has opened up a vast frontier of opportunities to better integrate all project data. MBSE provides an underlying layer that links data items to each other. Objectives link to requirements, which then link to functions, functions to physical architecture items, and so on, as far down as projects want to model. While it started with a focus on modeling requirements based on things like use cases, efforts are now underway to integrate safety and mission assurance (S&MA) information and analyses, such as risks. This effort, called Model Based Mission Assurance (MBMA), is yielding models that are more useful and are a more accurate representations of the systems. MBSE models, with this ability to link related items, provide a new means of tracking and communicating aggregate risks. In the proposed method, risks are added into the models as distinct items, having attributes that communicate a scoring derived from the likelihood and consequence values as charted on the standard NASA 5x5 risk matrix. Like earlier efforts, each box in the 5x5 has an associated scoring, which may include both a current score and potential post-mitigation/control score. The risk items are then linked to elements of the model, such as system objectives/goals, requirements, functions, or physical architecture items, with "Risk to" relationships. These risks will then be communicated by use of reports generated from the model, detailing all risks and/or hazards linked to model elements. These reports can include aggregate impacts, including a current scoring and potential future state scoring based on the planned mitigations and/or controls. These reports will show all risks, open, accepted, and closed, linked to project objectives or requirements. When run as part of an upcoming risk acceptance discussion, these reports will serve to remind the team of all previous risks that relate to the effected portion of the system. When included as part of periodic program or project reviews, risk reviews, and safety reviews, this method can improve the overall understanding of the system's true risk posture. This proposed method takes full advantage of the advances that modern modeling techniques provide, with a minimal investment of additional time. Utilizing the model environment also enables a near constant access to current state of aggregate risks.

model based mission assurance↗
NASA NTRS1998

Information Systems for NASA's Aeronautics and Space Enterprises

The aerospace industry is being challenged to reduce costs and development time as well as utilize new technologies to improve product performance. Information technology (IT) is the key to providing revolutionary solutions to the challenges posed by the increasing complexity of NASA's aeronautics and space missions and the sophisticated nature of the systems that enable them. The NASA Ames vision is to develop technologies enabling the information age, expanding the frontiers of knowledge for aeronautics and space, improving America's competitive position, and inspiring future generations. Ames' missions to accomplish that vision include: 1) performing research to support the American aviation community through the unique integration of computation, experimentation, simulation and flight testing, 2) studying the health of our planet, understanding living systems in space and the origins of the universe, developing technologies for space flight, and 3) to research, develop and deliver information technologies and applications. Information technology may be defined as the use of advance computing systems to generate data, analyze data, transform data into knowledge and to use as an aid in the decision-making process. The knowledge from transformed data can be displayed in visual, virtual and multimedia environments. The decision-making process can be fully autonomous or aided by a cognitive processes, i.e., computational aids designed to leverage human capacities. IT Systems can learn as they go, developing the capability to make decisions or aid the decision making process on the basis of experiences gained using limited data inputs. In the future, information systems will be used to aid space mission synthesis, virtual aerospace system design, aid damaged aircraft during landing, perform robotic surgery, and monitor the health and status of spacecraft and planetary probes. NASA Ames through the Center of Excellence for Information Technology Office is leading the effort in pursuit of revolutionary, IT-based approaches to satisfying NASA's aeronautics and space requirements. The objective of the effort is to incorporate information technologies within each of the Agency's four Enterprises, i.e., Aeronautics and Space Transportation Technology, Earth, Science, Human Exploration and Development of Space and Space Sciences. The end results of these efforts for Enterprise programs and projects should be reduced cost, enhanced mission capability and expedited mission completion.

Kutler, Paul↗
NASA NTRS1992

Space Resources

Space resources must be used to support life on the Moon and exploration of Mars. Just as the pioneers applied the tools they brought with them to resources they found along the way rather than trying to haul all their needs over a long supply line, so too must space travelers apply their high technology tools to local resources. The pioneers refilled their water barrels at each river they forded; moonbase inhabitants may use chemical reactors to combine hydrogen brought from Earth with oxygen found in lunar soil to make their water. The pioneers sought temporary shelter under trees or in the lee of a cliff and built sod houses as their first homes on the new land; settlers of the Moon may seek out lava tubes for their shelter or cover space station modules with lunar regolith for radiation protection. The pioneers moved further west from their first settlements, using wagons they had built from local wood and pack animals they had raised; space explorers may use propellant made at a lunar base to take them on to Mars. The concept for this report was developed at a NASA-sponsored summer study in 1984. The program was held on the Scripps campus of the University of California at San Diego (UCSD), under the auspices of the American Society for Engineering Education (ASEE). It was jointly managed under the California Space Inst. and the NASA Johnson Space Center, under the direction of the Office of Aeronautics and Space Technology (OAST) at NASA Headquarters. The study participants (listed in the addendum) included a group of 18 university teachers and researchers (faculty fellows) who were present for the entire 10-week period and a larger group of attendees from universities, Government, and industry who came for a series of four 1-week workshops. The organization of this report follows that of the summer study. Space Resources consists of a brief overview and four detailed technical volumes: (1) Scenarios; (2) Energy, Power, and Transport; (3) Materials; (4) Social Concerns. Although many of the included papers got their impetus from workshop discussions, most have been written since then, thus allowing the authors to base new applications on established information and tested technology. All these papers have been updated to include the authors' current work. This overview, drafted by faculty fellow Jim Burke, describes the findings of the summer study, as participants explored the use of space resources in the development of future space activities and defined the necessary research and development that must precede the practical utilization of these resources. Space resources considered included lunar soil, oxygen derived from lunar soil, material retrieved from near-Earth asteroids, abundant sunlight, low gravity, and high vacuum. The study participants analyzed the direct use of these resources, the potential demand for products from them, the techniques for retrieving and processing space resources, the necessary infrastructure, and the economic tradeoffs. This is certainly not the first report to urge the utilization of space resources in the development of space activities. In fact, Space Resources may be seen as the third of a trilogy of NASA Special Publications reporting such ideas arising from similar studies. It has been preceded by Space Settlements: A Design Study (NASA SP-413) and Space Resources and Space Settlements (NASA SP-428). And other, contemporaneous reports have responded to the same themes. The National Commission on Space, led by Thomas Paine, in Pioneering the Space Frontier, and the NASA task force led by astronaut Sally Ride, in Leadership and America's Future in Space, also emphasize expansion of the space Infrastructure; more detailed exploration of the Moon, Mars, and asteroids; an early start on the development of the technology necessary for using space resources; and systematic development of the skills necessary for long-term human presence in space. Our report does not represent any Government-authorized view or official NASA policy. NASA's official response to these challenging opportunities must be found in the reports of its Office of Exploration, which was established in 1987. That office's report, released in November 1989, of a 90-day study of possible plans for human exploration of the Moon and Mars is NASA's response to the new initiative proposed by President Bush on July 20, 1989, the 20th anniversary of the Apollo 11 landing on the Moon: "First, for the coming decade, for the 1990s, Space Station Freedom, our critical next step in all our space endeavors. And next, for the new century, back to the Moon, back to the future, and this time, back to stay. And then a journey into tomorrow, a journey to another planet, a manned mission to Mars." This report, Space Resources, offers substantiation for NASA's bid to carry out that new initiative.

McKay, Mary Fae↗
NASA NTRS2000

Atomistic Method Applied to Computational Modeling of Surface Alloys

The formation of surface alloys is a growing research field that, in terms of the surface structure of multicomponent systems, defines the frontier both for experimental and theoretical techniques. Because of the impact that the formation of surface alloys has on surface properties, researchers need reliable methods to predict new surface alloys and to help interpret unknown structures. The structure of surface alloys and when, and even if, they form are largely unpredictable from the known properties of the participating elements. No unified theory or model to date can infer surface alloy structures from the constituents properties or their bulk alloy characteristics. In spite of these severe limitations, a growing catalogue of such systems has been developed during the last decade, and only recently are global theories being advanced to fully understand the phenomenon. None of the methods used in other areas of surface science can properly model even the already known cases. Aware of these limitations, the Computational Materials Group at the NASA Glenn Research Center at Lewis Field has developed a useful, computationally economical, and physically sound methodology to enable the systematic study of surface alloy formation in metals. This tool has been tested successfully on several known systems for which hard experimental evidence exists and has been used to predict ternary surface alloy formation (results to be published: Garces, J.E.; Bozzolo, G.; and Mosca, H.: Atomistic Modeling of Pd/Cu(100) Surface Alloy Formation. Surf. Sci., 2000 (in press); Mosca, H.; Garces J.E.; and Bozzolo, G.: Surface Ternary Alloys of (Cu,Au)/Ni(110). (Accepted for publication in Surf. Sci., 2000.); and Garces, J.E.; Bozzolo, G.; Mosca, H.; and Abel, P.: A New Approach for Atomistic Modeling of Pd/Cu(110) Surface Alloy Formation. (Submitted to Appl. Surf. Sci.)). Ternary alloy formation is a field yet to be fully explored experimentally. The computational tool, which is based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of the energetics, consists of a small number of simple PCbased computer codes that deal with the different aspects of surface alloy formation. Two analysis modes are available within this package. The first mode provides an atom-by-atom description of real and virtual stages 1. during the process of surface alloying, based on the construction of catalogues of configurations where each configuration describes one possible atomic distribution. BFS analysis of this catalogue provides information on accessible states, possible ordering patterns, and details of island formation or film growth. More importantly, it provides insight into the evolution of the system. Software developed by the Computational Materials Group allows for the study of an arbitrary number of elements forming surface alloys, including an arbitrary number of surface atomic layers. The second mode involves large-scale temperature-dependent computer 2. simulations that use the BFS method for the energetics and provide information on the dynamic processes during surface alloying. These simulations require the implementation of Monte-Carlo-based codes with high efficiency within current workstation environments. This methodology capitalizes on the advantages of the BFS method: there are no restrictions on the number or type of elements or on the type of crystallographic structure considered. This removes any restrictions in the definition of the configuration catalogues used in the analytical calculations, thus allowing for the study of arbitrary ordering patterns, ultimately leading to the actual surface alloy structure. Moreover, the Monte Carlo numerical technique used for the large-scale simulations allows for a detailed visualization of the simulated process, the main advantage of this type of analysis being the ability to understand the underlying features that drive these processes. Because of the simplicity of the BFS method for e energetics used in these calculations, a detailed atom-by-atom analysis can be performed at any point in the simulation, providing necessary insight on the details of the process. The main objective of this research program is to develop a tool to guide experimenters in understanding and interpreting often unexpected results in alloy formation experiments. By reducing the computational effort without losing physical accuracy, we expect that powerful simulation tools will be developed in the immediate future, which will allow material scientists to easily visualize and analyze processes at a level not achievable experimentally.

Bozzolo, Guillermo H.↗