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At least 973 records · Page 54

Data Science in Chemical Engineering: Applications to Molecular Science

Chemical engineering is being rapidly transformed by the tools of data science. On the horizon, artificial intelligence (AI) applications will impact a huge swath of our work, ranging from the discovery and design of new molecules to operations and manufacturing and many areas in between. Early adoption of data science, machine learning, and early examples of AI in chemical engineering has been rich with examples of molecular data science—the application tools for molecular discovery and property optimization at the atomic scale. Here, we summarize key advances in this nascent subfield while introducing molecular data science for a broad chemical engineering readership. We introduce the field through the concept of a molecular data science life cycle and discuss relevant aspects of five distinct phases of this process: creation of curated data sets, molecular representations, data-driven property prediction, generation of new molecules, and feasibility and synthesizability considerations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimizing Repowering and Lifecycle Decisions with PV ICE and SAM

Should you repower or extend the life of your PV system? Are high-efficiency modules, durable modules, or recyclable modules the best option for your site and goals? Evaluating the trade-offs in design and lifecycle strategies can be complex. The PV in Circular Economy (PV ICE) tool is an open-source model designed to help developers, modelers, and decision-makers assess material flows, energy return on investment (EROI), and financial viability of PV systems. Now integrated with the System Advisor Model (SAM), PV ICE enables site-specific comparisons of lifecycle strategies - such as repowering benefits, module selection for reliability and recyclability, among others. This interactive tutorial will provide hands-on experience with PV ICE using Google Collab, exploring scenario-based analyses on these topics.

36 MATERIALS SCIENCE↗

Surface infrastructure functions, requirements and subsystems for a manned Mars mission

Planning and development for a permanently manned scientific outpost on Mars requires an in-depth understanding and analysis of the functions the outpost is expected to perform. The optimum configuration that accomplishes these functions then arises during the trade studies process. In a project this complex, it becomes necessary to use a formal methodology to document the design and planning process. The method chosen for this study is called top-down functional decomposition. This method is used to determine the functions that are needed to accomplish the overall mission, then determine what requirements and systems are needed to do each of the functions. This method facilitates automation of the trades and options process. In the example, this was done with an off-the shelf software package called TK! olver. The basic functions that a permanently manned outpost on Mars must accomplish are: (1) Establish the Life Critical Systems; (2) Support Planetary Sciences and Exploration; and (3) Develop and Maintain Long-term Support Functions, including those systems needed towards self-sufficiency. The top-down functional decomposition methology, combined with standard spread sheet software, offers a powerful tool to quickly assess various design trades and analyze options. As the specific subsystems, and the relational rule algorithms are further refined, it will be possible to very accurately determine the implications of continually evolving mission requirements.

Kyle Fairchild↗

Operations and support cost modeling using Markov chains

Systems for future missions will be selected with life cycle costs (LCC) as a primary evaluation criterion. This reflects the current realization that only systems which are considered affordable will be built in the future due to the national budget constaints. Such an environment calls for innovative cost modeling techniques which address all of the phases a space system goes through during its life cycle, namely: design and development, fabrication, operations and support; and retirement. A significant portion of the LCC for reusable systems are generated during the operations and support phase (OS). Typically, OS costs can account for 60 to 80 percent of the total LCC. Clearly, OS costs are wholly determined or at least strongly influenced by decisions made during the design and development phases of the project. As a result OS costs need to be considered and estimated early in the conceptual phase. To be effective, an OS cost estimating model needs to account for actual instead of ideal processes by associating cost elements with probabilities. One approach that may be suitable for OS cost modeling is the use of the Markov Chain Process. Markov chains are an important method of probabilistic analysis for operations research analysts but they are rarely used for life cycle cost analysis. This research effort evaluates the use of Markov Chains in LCC analysis by developing OS cost model for a hypothetical reusable space transportation vehicle (HSTV) and suggests further uses of the Markov Chain process as a design-aid tool.

Unal, Resit↗

A users' guide to the trace contaminant control simulation computer program

The Trace Contaminant Control Simulation computer program is a tool for assessing the performance of various trace contaminant control technologies for removing trace chemical contamination from a spacecraft cabin atmosphere. The results obtained from the program can be useful in assessing different technology combinations, system sizing, system location with respect to other life support systems, and the overall life cycle economics of a trace contaminant control system. The user's manual is extracted in its entirety from NASA TM-108409 to provide a stand-alone reference for using any version of the program. The first publication of the manual as part of TM-108409 also included a detailed listing of version 8.0 of the program. As changes to the code were necessary, it became apparent that the user's manual should be separate from the computer code documentation and be general enough to provide guidance in using any version of the program. Provided in the guide are tips for input file preparation, general program execution, and output file manipulation. Information concerning source code listings of the latest version of the computer program may be obtained by contacting the author.

Perry, J. L.↗

TPS Materials and Costs for Future Reusable Launch Vehicles

There is considerable interest in developing new reusable launch vehicles (RLVs) for reducing the cost of transporting payload to and from orbit. This work reviews thirteen candidate thermal protection system (TPS) options currently available for RLVs. It is useful to begin with the current Shuttle TPS layout as a reference. The nose cap and wing leading edge , which reach the highest temperatures, are made of reinforced carbon-carbon (RCC) that is protected from oxidation by an external coating (about 0.020" thick) of silicon-carbide. Most of the windward surface is 9 lb/cubic ft ceramic tiles (LI-900) with a thin (about 0.012") coating of Reaction Cured Glass (RCG). The leeward side of the vehicle is covered largely by AFRSI, a quilted ceramic blanket, and FRSI, a polyamide felt. These four materials can be considered first generation reusable TPS. Since the time of the Shuttle design, considerable progress has been made advancing TPS technologies in terms of thermal performance, robustness, and cost. For each of the major systems, a second generation ceramic TPS has been developed, tested, and characterized. Metallic-based systems have also been developed. For applications requiring RCC in the past, advanced carbon-carbon (ACC) is now available. This material has better mechanical properties, somewhat higher temperature capability to 2900F and greatly increased oxidation resistance. New carbon fiber reinforced silicon-carbide matrix composites (C/SiCs) have shown additional improvement in properties over ACC with use temperatures to 3000F and above. For rigid tiles, NASA Ames has made two significant advancements. The first is a tile substrate called Alumina Enhanced Thermal Barrier, or AETB, that incorporates alumina fibers for improved dimensional stability at high temperatures, to 2600F and above. This material can be made to densities as low as 8 lb/cubic ft. The second is a coating preparation called Toughened Uni-piece Fibrous Insulation, or TUFT, that penetrates about 0.1 in. into the tile substrate. The resulting composite, with a functionally gradient density near the surface, provides orders of magnitude increased damage resistance compared with RCG coated LI-900, with only a small weight increase. The TPS that combines these two developments is called AETB-8/TUFI and has been adopted for high damage areas on the Shuttles. Two notable developments have occur-red in flexible ceramic blanket technology. The first is aluminoborosilicate-based fibers with use temperatures of 2200F and above," in comparison to quartz and silica fiber used in AFRSI which have multi-use temperature limits of 1200 to 1400F. Blankets incorporating these new high temperature fibers are referred to as AFRSI-HT. The second is an integral weaving techniques that produces a fluted core blanket with a smoother surface and greater resistance to aero-acoustic noise, to levels as high as 170 dB. This Ames innovation is called Tailorable Advanced Blanket Insulation, or TABI. Finally, for felt-based TPS, Boeing is developing Polybenzimidazole Blanket Insulation, or PBI, with a multi-use temperature limit of 1000F and above, in contrast to Shuttle FRSI which has a multi-use temperature limit of about 700F. 1.6 NASA Langley and BF Goodrich (formerly Rohr Corp.) have led the development of metallic-based TPS. This activity uses essentially three approaches: metallic tiles which encase a fibrous ceramic batting in a box fabricated largely from metallic honeycombs, typically Nickel based alloys; metallic honeycomb sheets, made of Nickel-based alloys, incorporating a fibrous back-side insulation encapsulated in a metallic foil bag, providing reduced weight; and metallic multi-wall, which is comprised of dimpled Titanium metal sheets, which are stacked and then diffusion bonded at contact points to form the TPS. The Nickel-based systems can be used up to temperatures of about 1800F, and the Titanium system to about 100F. These thirteen TPS materials have pros and cons to their usage in terms of temperature capability, weight, initial cost, and maintenance. Carbon-carbon and C/SiC systems have the highest temperature capability but are relatively expensive and heavy, requiring significant time, expertise, and costly facilities and tools for design and fabrication. Second generation ceramic tiles are relatively light, durable, simple to fabricate and easy to install; however, waterproofing is a concern. Blankets and felts are light, simple, inexpensive, and easy to install over curved vehicle surfaces, but durability and waterproofing are concerns. Metallics are robust and appear to have eliminated waterproofing, but they tend to be heavy and relatively expensive, requiring costly facilities and tools. If thin metal sheets are used to reduce weights, then issues arise from possible metal fatigue and corrosion caused by thermal cycling, pressure oscillations, and environmental exposure. For application to future RLVs, system analyses show that a significant component of the vehicle life cycle cost is from the TPS; however, it is difficult to quantify and to compare the potential savings of advanced systems without performing full vehicle designs using each of the different options. Because this entails a considerable effort and also tends to submerge TPS cost impacts under unrelated vehicle design assumptions, there is a clear need for a simpler quantitative method to evaluate the cost impact of different TPS options. To this end, this work introduces a TPS life-cycle cost parameter which is easily computed and applicable to generic RLVs.

Rasky, Dan J.↗

Tropical Oceanic Precipitation Processes Over Warm Pool: 2D and 3D Cloud Resolving Model Simulations

Rainfall is a key link in the hydrologic cycle as well as the primary heat source for the atmosphere. The vertical distribution of convective latent-heat release modulates the large-scale circulations of the topics. Furthermore, changes in the moisture distribution at middle and upper levels of the troposphere can affect cloud distributions and cloud liquid water and ice contents. How the incoming solar and outgoing longwave radiation respond to these changes in clouds is a major factor in assessing climate change. Present large-scale weather and climate model simulate processes only crudely, reducing confidence in their predictions on both global and regional scales. One of the most promising methods to test physical parameterizations used in General Circulation Models (GCMs) and climate models is to use field observations together with Cloud Resolving Models (CRMs). The CRMs use more sophisticated and physically realistic parameterizations of cloud microphysical processes, and allow for their complex interactions with solar and infrared radiative transfer processes. The CRMs can reasonably well resolve the evolution, structure, and life cycles of individual clouds and clouds systems. The major objective of this paper is to investigate the latent heating, moisture and momentum budgets associated with several convective systems developed during the TOGA COARE IFA - westerly wind burst event (late December, 1992). The tool for this study is the Goddard Cumulus Ensemble (GCE) model which includes a 3-class ice-phase microphysics scheme.

Tao, W.-K.↗

Automated Theorem Proving in High-Quality Software Design

The amount and complexity of software developed during the last few years has increased tremendously. In particular, programs are being used more and more in embedded systems (from car-brakes to plant-control). Many of these applications are safety-relevant, i.e. a malfunction of hardware or software can cause severe damage or loss. Tremendous risks are typically present in the area of aviation, (nuclear) power plants or (chemical) plant control. Here, even small problems can lead to thousands of casualties and huge financial losses. Large financial risks also exist when computer systems are used in the area of telecommunication (telephone, electronic commerce) or space exploration. Computer applications in this area are not only subject to safety considerations, but also security issues are important. All these systems must be designed and developed to guarantee high quality with respect to safety and security. Even in an industrial setting which is (or at least should be) aware of the high requirements in Software Engineering, many incidents occur. For example, the Warshaw Airbus crash, was caused by an incomplete requirements specification. Uncontrolled reuse of an Ariane 4 software module was the reason for the Ariane 5 disaster. Some recent incidents in the telecommunication area, like illegal "cloning" of smart-cards of D2GSM handies, or the extraction of (secret) passwords from German T-online users show that also in this area serious flaws can happen. Due to the inherent complexity of computer systems, most authors claim that only a rigorous application of formal methods in all stages of the software life cycle can ensure high quality of the software and lead to real safe and secure systems. In this paper, we will have a look, in how far automated theorem proving can contribute to a more widespread application of formal methods and their tools, and what automated theorem provers (ATPs) must provide in order to be useful.

Schumann, Johann↗

Status of the Correlation Process of the V-HAB Simulation with Ground Tests and ISS Telemetry Data

The Virtual Habitat (V-HAB) is a dynamic Life Support System (LSS) simulation, created to investigate future human spaceflight missions. V-HAB provides the capability to optimize LSS during early design phases. Furthermore, it allows simulation of worst case scenarios which cannot be tested in reality. In a nutshell, the tool allows the testing of LSS robustness by means of computer simulations. V-HAB is a modular simulation consisting of a: 1. Closed Environment Module 2. Crew Module 3. Biological Module 4. Physio-Chemical Module The focus of the paper will be the correlation and validation of V-HAB against ground test and flight data. The ECLSS technologies (CDRA, CCAA, OGA, etc.) are correlated one by one against available ground test data, which is briefly described in this paper. The technology models in V-HAB are merged to simulate the ISS ECLSS. This simulation is correlated against telemetry data from the ISS, including the water recovery system and the air revitalization system. Finally, an analysis of the results is included in this paper.

Ploetner, Peter↗

PIXLISE-C: Exploring The Data Analysis Needs of NASA Scientists for Mineral Identification

NASA JPL scientists working on the micro x-ray fluorescence (microXRF) spectroscopy data collected from Mars surface perform data analysis to look for signs of past microbial life on Mars. Their data analysis workflow mainly involves identifying mineral com- pounds through the element abundance in spatially distributed data points. Working with the NASA JPL team, we identified pain points and needs to further develop their existing data visualization and analysis tool. Specifically, the team desired improvements for the process of creating and interpreting mineral composition groups. To address this problem, we developed an interactive tool that enables scientists to (1) cluster the data using either manual lasso-tool selection or through various machine learning clustering algorithms, and (2) compare the clusters and individual data points to make informed decisions about mineral compositions. Our preliminary tool supports a hybrid data analysis workflow where the user can manually refine the machine-generated clusters.

Davidoff, Scott↗

NASA Operational Simulator for Small Satellites: Tools for Software Based Validation and Verification of Small Satellites

The NASA Operational Simulator for Small Satellites (NOS3) is a suite of tools to aid in areas such as software development, integration test (IT), mission operations training, verification and validation (VV), and software systems check-out. NOS3 provides a software development environment, a multi-target build system, an operator interface-ground station, dynamics and environment simulations, and software-based hardware models. NOS3 enables the development of flight software (FSW) early in the project life cycle, when access to hardware is typically not available. For small satellites there are extensive lead times on many of the commercial-off-the-shelf (COTS) components as well as limited funding for engineering test units (ETU). Considering the difficulty of providing a hardware test-bed to each developer tester, hardware models are modeled based upon characteristic data or manufacturers data sheets for each individual component. The fidelity of each hardware models is such that FSW executes unaware that physical hardware is not present. This allows binaries to be compiled for both the simulation environment, and the flight computer, without changing the FSW source code. For hardware models that provide data dependent on the environment, such as a GPS receiver or magnetometer, an open-source tool from NASA GSFC (42 Spacecraft Simulation) is used to provide the necessary data. The underlying infrastructure used to transfer messages between FSW and the hardware models can also be used to monitor, intercept, and inject messages, which has proven to be beneficial for VV of larger missions such as James Webb Space Telescope (JWST). As hardware is procured, drivers can be added to the environment to enable hardware-in-the-loop (HWIL) testing. When strict time synchronization is not vital, any number of combinations of hardware components and software-based models can be tested. The open-source operator interface used in NOS3 is COSMOS from Ball Aerospace. For testing, plug-ins are implemented in COSMOS to control the NOS3 simulations, while the command and telemetry tools available in COSMOS are used to communicate with FSW. NOS3 is actively being used for FSW development and component testing of the Simulation-to-Flight 1 (STF-1) CubeSat. As NOS3 matures, hardware models have been added for common CubeSat components such as Novatel GPS receivers, ClydeSpace electrical power systems and batteries, ISISpace antenna systems, etc. In the future, NASA IVV plans to distribute NOS3 to other CubeSat developers and release the suite to the open-source community.

Verification↗

Evaluation of Hands-Free Devices for the Display of Maintenance Procedures

Over the past year, NASA's focus has turned to crewed long duration and exploration missions. On these journeys, crewmembers will be required to execute thousands of procedures to maintain life support systems, check out space suits, conduct science experiments, and perform medical exams. To support the many complex tasks crewmembers undertake in microgravity, NASA is interested in providing crewmembers a hands-free work environment to promote more efficient operations. The overarching objective is to allow crewmembers to use both of their hands for tasks related to their mission, versus holding a paper manual or interacting with a display. The use of advanced, hands-free tools will undoubtedly make the crewmembers task easier, but they can also add to overall task complexity if not properly designed. A leading candidate technology for supporting a hands-free environment is the Head-Mounted Display (HMD). A more recent technology (e-book reader) that could be easily temp-stowed near the work area is also a potential hands-free solution. Previous work at NASA involved the evaluation of several commercially available HMDs for visual quality, comfort, and fit, as well as suitability for use in microgravity. Based on results from this work, three HMDs were selected for further evaluation (along with an e-book reader), using International Space Station (ISS)-like maintenance procedures. Two evaluations were conducted in the Space Station Mockup and Trainer Facility (SSMTF) located at the NASA Johnson Space Center (building 9). The SSMTF is a full scale, medium fidelity replica of the pressurized portions of the ISS. It supports crew training such as ingress and egress, habitability, and emergency procedures. In each of the two evaluations, the participants performed two maintenance procedures. One maintenance procedure involved inspecting air filters in a life support system and replacing them with a clean filter if one were found to be contaminated. The second maintenance procedure focused on working in a confined space; specifically, pulling down a rack to inspect wiring configurations, and rewiring in a different pattern. The maintenance procedures were selected to assess mobility, tool use, and access to multiple document sources during task performance. That is, the participant had to move from rack to rack, use a wrench, a camera, etc., replace components, and refer to diagrams to complete tasks. A constraint was imposed that the ISS-like format of the procedures was to be retained, and not modified or optimized for the electronic device ("plug and play" approach). This was based on future plans to test with real procedures on ISS.

Ronald B Hoffman↗

Sensory stimulation for upper limb amputations modulates adaptability of cortical large-scale systems and combination of somatosensory and visual inputs

Abstract Touch-like phantom limb sensations can be elicited through targeted transcutaneous electrical nerve stimulation (tTENS) in individuals with upper limb amputation. The corresponding impact of sensory stimulation on cortical activity remains an open question. Brain network research shows that sensorimotor cortical activity is supported by dynamic changes in functional connections between relevant brain regions. These groups of interconnected regions are functional modules whose architecture enables specialized function and related neural processing supporting individual task needs. Using electroencephalographic (EEG) signals to analyze modular functional connectivity, we investigated changes in the modular architecture of cortical large-scale systems when participants with upper limb amputations performed phantom hand movements before, during, and after they received tTENS. We discovered that tTENS substantially decreased the flexibility of the default mode network (DMN). Furthermore, we found increased interconnectivity (measured by a graph theoretic integration metric) between the DMN, the somatomotor network (SMN) and the visual network (VN) in the individual with extensive tTENS experience. While for individuals with less tTENS experience, we found increased integration between DMN and the attention network. Our results provide insights into how sensory stimulation promotes cortical processing of combined somatosensory and visual inputs and help develop future tools to evaluate sensory combination for individuals with amputations.

60 APPLIED LIFE SCIENCES↗

Ten questions concerning Large Language Models (LLMs) for building applications

Large Language Models (LLMs) are emerging as powerful AI tools capable of transforming how building information is collected, processed, analyzed, and applied across diverse research areas. Their capabilities can help building operators, facility managers and other stakeholders such as designers, architects and engineers by providing actionable insights for decision-making across planning, construction, operations, and maintenance of buildings and facilities. This paper explores ten key questions concerning the role of LLMs in shaping sustainable, intelligent, and human-centric buildings. From fundamental definitions to advanced applications, we examine how LLMs facilitate decision-making across the life cycle of buildings and energy systems. LLMs can enhance life cycle assessments (LCA), building energy simulations, and real-time data integration, empowering more efficient and adaptive human-AI environments. They can also contribute to streamlining regulatory compliance, improving post-occupancy evaluations, and fostering more inclusive and participatory design processes. Additionally, this paper addresses the ethical challenges posed by LLMs, such as bias, data privacy, and environmental impacts, and explores their potentials in advancing intelligent digital twins (DT) for ongoing building operations and maintenance. Built upon our applied research using LLMs and the review of tools, datasets, and research gaps, we provide a forward-looking perspective on how LLMs can drive innovation, collaboration, and productivity in the built environment while supporting ethical and effective implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Automated Estimation Of Software-Development Costs

COSTMODL is automated software development-estimation tool. Yields significant reduction in risk of cost overruns and failed projects. Accepts description of software product developed and computes estimates of effort required to produce it, calendar schedule required, and distribution of effort and staffing as function of defined set of development life-cycle phases. Written for IBM PC(R)-compatible computers.

Roush, George B.↗

Design considerations for the CELSS test facility engineering development unit

The NASA Controlled Ecological Life Support System (CELSS) Program has the goal of developing life support systems for humans in space based on the use of higher plants. The program has supported research at universities with a primary focus of increasing the productivity of candidate crop plants. To understand the effects of the space environment on plant productivity, the CELSS Test Facility (CTF) has been developed as an instrument that will permit the evaluation of plant productivity on Space Station Freedom. The CFT will maintain specific environmental conditions and collect data on gas exchange rates and biomass accumulation over the growth period of several crop plants grown sequentially from seed to harvest. To better understand the systems needed to support plants and maintain the evironmental conditions required by CTF, an Engineering Development Unit (EDU) is being constructed at NASA Ames Research Center (ARC) in the Advanced Life Support Division. The EDU will provide the means of testing and evaluating hardware solutions to CTF requirements. This paper reviews the CTF science and functional requirements, and provides a description of the EDU objectives, design approach, subsystem descriptions, and some of the technology tools employed in accomplishing the design.

Kliss, M.↗

Tropical Oceanic Precipitation Processes over Warm Pool: 2D and 3D Cloud Resolving Model Simulations

Rainfall is a key link in the hydrologic cycle as well as the primary heat source for the atmosphere, The vertical distribution of convective latent-heat release modulates the large-scale circulations of the tropics, Furthermore, changes in the moisture distribution at middle and upper levels of the troposphere can affect cloud distributions and cloud liquid water and ice contents. How the incoming solar and outgoing longwave radiation respond to these changes in clouds is a major factor in assessing climate change. Present large-scale weather and climate models simulate cloud processes only crudely, reducing confidence in their predictions on both global and regional scales. One of the most promising methods to test physical parameterizations used in General Circulation Models (GCMS) and climate models is to use field observations together with Cloud Resolving Models (CRMs). The CRMs use more sophisticated and physically realistic parameterizations of cloud microphysical processes, and allow for their complex interactions with solar and infrared radiative transfer processes. The CRMs can reasonably well resolve the evolution, structure, and life cycles of individual clouds and cloud systems, The major objective of this paper is to investigate the latent heating, moisture and momenti,im budgets associated with several convective systems developed during the TOGA COARE IFA - westerly wind burst event (late December, 1992). The tool for this study is the Goddard Cumulus Ensemble (CCE) model which includes a 3-class ice-phase microphysical scheme, The model domain contains 256 x 256 grid points (using 2 km resolution) in the horizontal and 38 grid points (to a depth of 22 km depth) in the vertical, The 2D domain has 1024 grid points. The simulations are performed over a 7 day time period. We will examine (1) the precipitation processes (i.e., condensation/evaporation) and their interaction with warm pool; (2) the heating and moisture budgets in the convective and stratiform regions; (3) the cloud (upward-downward) mass fluxes in convective and stratiform regions; (4) characteristics of clouds (such as cloud size, updraft intensity and cloud lifetime) and the comparison of clouds with Radar observations. Differences and similarities in organization of convection between simulated 2D and 3D cloud systems. Preliminary results indicated that there is major differences between 2D and 3D simulated stratiform rainfall amount and convective updraft and downdraft mass fluxes.

Tao, W.- K.↗