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Theoretical Problems in Materials Science

Interactions between theoretical physics and material sciences to identify problems of common interest in which some of the powerful theoretical approaches developed for other branches of physics may be applied to problems in materials science are presented. A unique structure was identified in rapidly quenched Al-14% Mn. The material has long-range directed bonds with icosahedral symmetry which does not form a regular structure but instead forms an amorphous-like quasiperiodic structure. Finite volume fractions of second phase material is advanced and is coupled with nucleation theory to describe the formation and structure of precipitating phases in alloys. Application of the theory of pattern formation to the problem of dendrite formation is studied.

Langer, J. S.

Development of the Materials Science Research Facility (MSRF) and Experiment Apparatus for the International Space Station (ISS)

The Materials Science Research Facility (MSRF) is a modular facility designed to accommodate the current and evolving cadre of peer-reviewed materials science investigations selected to conduct research in the microgravity environment of the International Space Station (ISS). The MSRF concept consists of three Materials Science Research Racks (MSRR-1, MSRR-2, and MSRR-3) which will be developed for phased deployment into the United States Laboratory Module beginning on the third Utilization Flight (UF-3). The facility will house the materials processing apparatus and common subsystems required for operating each device, and will use the ISS Active Rack Isolation System (ARIS). Each MSRR is an autonomous rack and will be comprised of on-orbit replaceable Experiment Modules, Module Inserts, investigation unique apparatus, and/or multi-user generic processing apparatus. The MSRF will be the primary apparatus for satisfying near-term and long-range materials science discipline goals and objectives with each MSRR supporting a wide range of materials science themes in the NASA research program.

Schaefer, D. A.

Materials Science Laboratory

The NASA Materials Science Laboratory (MSL) provides science and engineering services to NASA and Contractor customers at KSC, including those working for the Space Shuttle. International Space Station. and Launch Services Programs. These services include: (1) Independent/unbiased failure analysis (2) Support to Accident/Mishap Investigation Boards (3) Materials testing and evaluation (4) Materials and Processes (M&P) engineering consultation (5) Metrology (6) Chemical analysis (including ID of unknown materials) (7) Mechanical design and fabrication We provide unique solutions to unusual and urgent problems associated with aerospace flight hardware, ground support equipment and related facilities.

Jackson, Dionne

Materials Science Research Rack Onboard the International Space Station

The Materials Science Research Rack (MSRR) is a highly automated facility developed in a joint venture/partnership between NASA and ESA center dot Allows for the study of a variety of materials including metals, ceramics, semiconductor crystals, and glasses onboard the International Space Station (ISS) center dot Multi-user facility for high temperature materials science research center dot Launched on STS-128 in August 2009, and is currently installed in the U.S. Destiny Laboratory Module Research goals center dot Provide means of studying materials processing in space to develop a better understanding of the chemical and physical mechanisms involved center dot Benefit materials science research via the microgravity environment of space where the researcher can better isolate the effects of gravity during solidification on the properties of materials center dot Use the knowledge gained from experiments to make reliable predictions about conditions required on Earth to achieve improved materials

Reagan, Shawn E.

First Materials Science Research Facility Rack Capabilities and Design Features

The first Materials Science Research Rack (MSRR-1) is the primary facility for U.S. sponsored materials science research on the International Space Station. MSRR-1 is contained in an International Standard Payload Rack (ISPR) equipped with the Active Rack Isolation System (ARIS) for the best possible microgravity environment. MSRR-1 will accommodate dual Experiment Modules and provide simultaneous on-orbit processing operations capability. The first Experiment Module for the MSRR-1, the Materials Science Laboratory (MSL), is an international cooperative activity between NASA's Marshall Space Flight Center (MSFC) and the European Space Agency's (ESA) European Space Research and Technology Center (ESTEC). The MSL Experiment Module will accommodate several on-orbit exchangeable experiment-specific Module Inserts which provide distinct thermal processing capabilities. Module Inserts currently planned for the MSL are a Quench Module Insert, Low Gradient Furnace, and a Solidification with Quench Furnace. The second Experiment Module for the MSRR-1 configuration is a commercial device supplied by MSFC's Space Products Development (SPD) Group. Transparent furnace assemblies include capabilities for vapor transport processes and annealing of glass fiber preforms. This Experiment Module is replaceable on-orbit. This paper will describe facility capabilities, schedule to flight and research opportunities.

Cobb, S.

The NASA Materials Science Research Program - It's New Strategic Goals and Plans

In 2001, the NASA created a separate science enterprise, the Office of Biological and Physical Research (OBPR), to perform strategical and fundamental research bringing together physics, chemistry, biology, and engineering to solve problems needed for future agency mission goals. The Materials Science Program is one of basic research disciplines within this new Enterprise's Division of Physical Sciences Research. The Materials Science Program participates to utilize effective use of International Space Station (ISS) experimental facilities, target new scientific and technology questions, and transfer results for Earth benefits. The program has recently pursued new investigative research in areas necessary to expand NASA knowledge base for exploration of the universe, some of which will need access to the microgravity of space. The program has a wide variety of traditional ground and flight based research related types of basic science related to materials crystallization, fundamental processing, and properties characterization in order to obtain basic understanding of various phenomena effects and relationships to the structures, processing, and properties of materials. A summary of the types and sources for this research is presented and those experiments planned for the space. Areas to help expand the science basis for NASA future missions are described. An overview of the program is given including the scope of the current and future NASA Research Announcements with emphasis on new materials science initiatives. A description of the planned flight experiments to be conducted on the International Space Station program along with the planned facility class Materials Science Research Rack (MSRR) and Microgravity Glovebox (MSG) type investigations.

Schlagheck, Ronald A.

Fluids and Materials Science Studies Utilizing the Microgravity-vibration Isolation Mount (MIM)

Canada's Microgravity Sciences Program (MSP) is the smallest program of the ISS partners and so can participate in only a few, highly focused projects in order to make a scientific and technological impact. One focused project involves determining the effect of accelerations (g-jitter) on scientific measurements in a microgravity environment utilizing the Microgravity-vibration Isolation Mount (MIM). Many experiments share the common characteristic of having a fluid stage in their process. The quality of the experimental measurements have been expected to be affected by g-jitters which has lead the ISS program to include specifications to limit the level of acceleration allowed on a subset of experimental racks. From finite element analysis (FEM), the ISS structure will not be able to meet the acceleration specifications. Therefore, isolation systems are necessary. Fluid science results and materials science results show significant sensitivity to g-jitter. The work done to date should be viewed only as a first look at the issue of g-jitter sensitivity. The work should continue with high priority such that the international science community and the ISS program can address the requirement and settle on an agreed to overall approach as soon as possible.

Herring, Rodney

Materials Science Experiments on the International Space Station

The Performance Goal for NASA's Microgravity Materials Science Program reads "Use microgravity to establish and improve quantitative and predictive relationships between the structure, processing and properties of materials." The advent of the International Space Station will open up a new era in Materials Science Research including the ability to perform long term and frequent experiments in microgravity. As indicated the objective is to gain a greater understanding of issues of materials science in an environment in which the force of gravity can be effectively switched off. Thus gravity related issues of convection, buoyancy and hydrostatic forces can be reduced and the science behind the structure/processing/properties relationship can more easily be understood. The specific areas of research covered within the program are (1) the study of Nucleation and Metastable States, (2) Prediction and Control of Microstructure (including pattern formation and morphological stability), (3) Phase Separation and Interfacial Stability, (4) Transport Phenomena (including process modeling and thermophysical properties measurement), and (5) Crystal Growth, and Defect Generation and Control. All classes of materials, including metals and alloys, glasses and ceramics, polymers, electronic materials (including organic and inorganic single crystals), aerogels and nanostructures, are included in these areas. The principal experimental equipment available to the materials scientist on the International Space Station (ISS) will be the Materials Science Research Facility (MSRF). Each of these systems will be accommodated in a single ISS rack, which can operate autonomously, will accommodate telescience operations, and will provide real time data to the ground. Eventual plans call for three MSRF racks, the first of which will be shared with the European Space Agency (ESA). Under international agreements, ESA and other partners will provide some of the equipment, while NASA covers launch and integration costs. The MSRF facilities will include modular components, which can be exchanged to provide inserts specifically matched to the engineering requirements of the particular Principal Investigator. To defray costs and avoid duplication of engineering effort NASA is also pursuing the possibility of using facilities provided by international partners. By this means it is anticipated that all of the types of research outlined in the previous paragraph can be done on the ISS.

Gillies, Donald C.

The NASA Materials Science Research Program: It's New Strategic Goals and Opportunities

In the past year, the NASA s Office of Biological and Physical Research (OBPR) has formulated a long term plan to perform strategical and fundamental research bringing together physics, chemistry, biology, and engineering to solve problems needed for current and future agency mission goals. Materials Science is one of basic disciplines within the Enterprise s Division of Physical Sciences Research. The Materials Science Program participates to utilize effective use of International Space Station (ISS) and various world class ground laboratory facilities to solve new scientific and technology questions and transfer these results for public and agency benefits. The program has recently targeted new investigative research in strategic areas necessary to expand NASA knowledge base for exploration of the universe and some of these experiments will need access to the microgravity of space. The program is implementing a wide variety of traditional ground and flight based research related types of fundamental science related to materials crystallization, fundamental processing, and properties characterization in order to obtain basic understanding of various phenomena effects and relationships to the structures, processing, and properties of materials. , In addition new initiatives in radiation protection, materials for propulsion and In-space fabrication and repair focus on research helping the agency solve problems needed for future transportation into the solar system. A summary of the types and sources for this research is presented including those experiments planned for a low gravity environment. Areas to help expand the science basis for NASA future missions are described. An overview of the program is given including the scope of the current and future NASA Research Announcements with emphasis on new materials science initiatives. A description of the planned flight experiments to be conducted on the International Space Station program along with the planned facility class Materials Science Research Rack (MSRR) and Microgravity Glovebox (MSG) type investigations. Some initial results from the first three materials experiments are given.

Schlagheck, Ronald A.

Atomate2: modular workflows for materials science

High-throughput density functional theory (DFT) calculations have become a vital element of computational materials science, enabling materials screening, property database generation, and training of “universal” machine learning models. While several software frameworks have emerged to support these computational efforts, new developments such as machine learned force fields have increased demands for more flexible and programmable workflow solutions. This manuscript introduces atomate2, a comprehensive evolution of our original atomate framework, designed to address existing limitations in computational materials research infrastructure. Key features include the support for multiple electronic structure packages and interoperability between them, along with generalizable workflows that can be written in an abstract form irrespective of the DFT package or machine learning force field used within them. Our hope is that atomate2's improved usability and extensibility can reduce technical barriers for high-throughput research workflows and facilitate the rapid adoption of emerging methods in computational material science.

97 MATHEMATICS AND COMPUTING

U.S. Materials Science on the International Space Station: Status and Plans

This viewgraph presentation reviews the current status and NASA plans for materials science on the International Space Station. The contents include: 1) Investigations Launched in 2009; 2) DECLIC in an EXPRESS rack; 3) Dynamical Selection of Three-Dimensional Interface Patterns in Directional Solidification (DSIP); 4) Materials Science Research Rack (MSRR); 5) Materials Science Laboratory; 6) Comparison of Structure and Segregation in Alloys Directionally Solidified in Terrestrial and Microgravity Environments (MICAST/CETSOL); 7) Coarsening in Solid Liquid Mixtures 2 Reflight (CSLM 2R); 8) Crystal Growth Investigations; 9) Levitator Investigations; 10) Quasi Crystalline Undercooled Alloys for Space Investigation (QUASI); 11) The Role of Convection and Growth Competition in Phase Selection in Microgravity (LODESTARS); 12) Planned Additional Investigations; 13) SETA; 14) METCOMP; and 15) Materials Science NRA.

Chiaramonte, Francis P.

NASA/First Materials Science Research Rack (MSRR-1) Module Inserts Development for the International Space Station

The Material Science Research Rack 1 (MSRR-1) of the Material Science Research Facility (MSRF) contains an Experiment Module (EM) being developed collaboratively by NASA and the European Space Agency (ESA). This NASA/ESA EM will accommodate several different removable and replaceable Module Inserts (MIs) which are installed on orbit. Two of the NASA MIs being developed for specific material science investigations are described herein.

Crouch, Myscha

Seeing is Believing: Autonomous Microscopy and the Data Revolution in Materials Science [Slides]

Machine intelligence has the potential to revolutionize materials science, enabling autonomous synthesis, self-driving characterization, and accelerated modeling. However, despite the promise, successful implementation of these methods in day-to-day research remains a challenge. This talk will delve into the reasons behind this, exploring how truly intelligent experiments are hindered by opaque experiment control, a lack of domain-specific models, and human-centric design. Through a focus on the characterization of next-generation microelectronics and energy storage materials, I will share insights from both successful and failed attempts to implement machine intelligence. We will then explore the next steps necessary to unlock the full potential of machine intelligence in materials science, creating a future where intelligent systems work seamlessly alongside researchers to drive innovation and discovery.

36 MATERIALS SCIENCE

Advanced Interactive 3D Visualization Tool for Customizable Analyses of Tomography Datasets in Material Science

Current methods for visualizing and analyzing 3D tomography datasets in materials science often lack the interactivity and depth required for detailed structural insights. This limitation restricts a researchers' ability to accurately interpret complex data, which is critical for advancing material innovations and understanding structural properties. To address this issue, we have developed a novel, web-based interactive 3D visualization and analysis tool from the Trame framework that offers customizable features to enhance data interpretability. The tool allows users to adjust parameters such as visible range, slice planes, data rotation, and layering, providing a more detailed and dynamic view of complex structures. Its user-friendly web interface increases the accessibility and ease of use for both novice and experienced researchers, to visualize large volumetric datasets. The tool supports a diverse range of data formats, making it versatile for various research applications. Unique capabilities include real-time data manipulation, automated feature detection, context-sensitive feedback, and real-time volume calculations and distributions per sliced region or layer, alongside the ability to quickly generate high-quality screenshots and videos for presentations and reports. These advancements offer a comprehensive solution for enhanced 3D data exploration, significantly improving the analysis process and communication of results in materials science.

36 - MATERIALS SCIENCE

Materials Science Experiments Under Microgravity - A Review of History, Facilities, and Future Opportunities

Materials science experiments have been a key issue already since the early days of research under microgravity conditions. A microgravity environment facilitates processing of metallic and semiconductor melts without buoyancy driven convection and sedimentation. Hence, crystal growth of semiconductors, solidification of metallic alloys, and the measurement of thermo-physical parameters are the major applications in the field of materials science making use of these dedicated conditions in space. In the last three decades a large number of successful experiments have been performed, mainly in international collaborations. In parallel, the development of high-performance research facilities and the technological upgrade of diagnostic and stimuli elements have also contributed to providing optimum conditions to perform such experiments. A review of the history of materials science experiments in space focussing on the development of research facilities is given. Furthermore, current opportunities to perform such experiments onboard ISS are described and potential future options are outlined.

Stenzel, Ch.

Materials science and manufacturing in space

Materials science and manufacturing in space, discussing potential technologies and laboratory techniques using vacuum, weightlessness, temperature and radiation environment

Armstrong, W. O.

The Life Cycle Application of Intelligent Software Modeling for the First Materials Science Research Rack

Marshall Space Flight Center (MSFC) has been funding development of intelligent software models to benefit payload ground operations for nearly a decade. Experience gained from simulator development and real-time monitoring and control is being applied to engineering design, testing, and operation of the First Material Science Research Rack (MSRR-1). MSRR-1 is the first rack in a suite of three racks comprising the Materials Science Research Facility (MSRF) which will operate on the International Space Station (ISS). The MSRF will accommodate advanced microgravity investigations in areas such as the fields of solidification of metals and alloys, thermo-physical properties of polymers, crystal growth studies of semiconductor materials, and research in ceramics and glasses. The MSRR-1 is a joint venture between NASA and the European Space Agency (ESA) to study the behavior of different materials during high temperature processing in a low gravity environment. The planned MSRR-1 mission duration is five (5) years on-orbit and the total design life is ten (IO) years. The MSRR-1 launch is scheduled on the third Utilization Flight (UF-3) to ISS, currently in February of 2003). The objective of MSRR-1 is to provide an early capability on the ISS to conduct material science, materials technology, and space product research investigations in microgravity. It will provide a modular, multi-user facility for microgravity research in materials crystal growth and solidification. An intelligent software model of MSRR-1 is under development and will serve multiple purposes to support the engineering analysis, testing, training, and operational phases of the MSRR-1 life cycle development. The G2 real-time expert system software environment developed by Gensym Corporation was selected as the intelligent system shell for this development work based on past experience gained and the effectiveness of the programming environment. Our approach of multi- uses of the simulation model and its intuitive graphics capabilities is providing a concurrent engineering environment for rapid prototyping and development. Operational schematics of the MSRR-1 electrical, thermal control, vacuum access, and gas supply systems, and furnace inserts are represented graphically in the environment. Logic to represent first order engineering calculations is coded into the knowledge base to simulate the operational behavior of the MSRR-1 systems. An example of engineering data provided includes electrical currents, voltages, operational power, temperatures, thermal fluid flow rates. pressures, and component status indications. These type of data are calculated and displayed at appropriate instrumentation points, and the schematics are animated to reflect the simulated operational status of the MSRR-1. The software control functions are also simulated to represent appropriate operational behavior based on automated control and response to commands received by the crew or ground controllers. The first benefit of this simulation environment is being realized in the high fidelity engineering analysis results from the electrical power system G2 model. Secondly, the MSRR-1 simulation model will be embedded with a hardware mock-up of the MSRR-1 to provide crew training on MSRR-1 integrated payload operations. G2 gateway code will output the simulated instrumentation values, termed as telemetry, in a flight-like data stream so that the crew has realistic and accurate simulated MSRR-1 data on the flight displays which will be designed for crew use. The simulation will also respond appropriately to crew or ground initiated commands, which will be part of normal facility operations. A third use of the G2 model is being planned; the MSRR-1 simulation will be integrated with additional software code as part of the test configuration of the primary onboard computer, or Master Controller, for MSRR-1. We will take advantage of the G2 capability to simulate the flight like data stream to test flight software responses and behavior. A fourth use of the G2 model will be to train the Ground Support Personnel that will monitor the MSRR-1 systems and payloads while they are operating aboard the ISS. The intuitive, schematic based environment will provide an excellent foundation for personnel to understand the integrated configuration and operation of the MSRR-1, and the anticipated telemetry feedback based on operational modes of the equipment. Expert monitoring features will be enhanced to provide a smart monitoring environment for the operators. These features include: (1) Animated, intuitive schematic-based displays which reflect telemetry values, (1) Real-time plotting of simulated or incoming sensor values, (3) High/Low exception monitoring for analog data, (4) Expected state monitoring for discrete data, (5) Data trending, (6) Automated malfunction procedure execution to diagnose problems, (7) Look ahead capability to planned MSRR-1 activities in the onboard timeline. And finally, the logic to calculate telemetry values will be deactivated, and the same environment will interface to the incoming data for the real-time telemetry stream to schematically represent the onboard hardware configuration. G2 will be the foundation for the real-time monitoring and control environment. In summary, our MSRR-1 simulation model spans many elements of the life cycle development of this project: Engineering Analysis, Test and Checkout, Training of Crew and Ground Personnel, and Real-time monitoring and control. By utilizing the unique features afforded by an expert system development environment, we have been able to synergize a powerful tool capable of addressing our project needs at every phase of project development.

Rice, Amanda