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NASA NTRS1984

Calculation of transonic flow in a linear cascade

Turbomachinery blade designs are becoming more aggressive in order to achieve higher loading and greater range. New analysis tools are required to cope with these heavily loaded blades that may operate with a thin separated region near the trailing edge on the suction surface. An existing, viscous airfoil code was adapted to cascade conditions in an attempt to provide this capability. Comparisons with recently obtained data show that calculated and experimental surface Mach numbers were in good agreement but loss coefficients and outlet air angles were not.

Donovan, L. F.↗

NASA NTRS1984

Calculation of transonic flow in a linear cascade

Donovan, L. F.↗

NASA NTRS1987

Artificial Intelligence (AI), Operations Research (OR), and Decision Support Systems (DSS): A conceptual framework

In recent years there has been increasing interest in applying the computer based problem solving techniques of Artificial Intelligence (AI), Operations Research (OR), and Decision Support Systems (DSS) to analyze extremely complex problems. A conceptual framework is developed for successfully integrating these three techniques. First, the fields of AI, OR, and DSS are defined and the relationships among the three fields are explored. Next, a comprehensive adaptive design methodology for AI and OR modeling within the context of a DSS is described. These observations are made: (1) the solution of extremely complex knowledge problems with ill-defined, changing requirements can benefit greatly from the use of the adaptive design process, (2) the field of DSS provides the focus on the decision making process essential for tailoring solutions to these complex problems, (3) the characteristics of AI, OR, and DSS tools appears to be converging rapidly, and (4) there is a growing need for an interdisciplinary AI/OR/DSS education.

Parnell, Gregory S.↗

NASA NTRS2008

Proposed Facility Modifications to Support Propulsion Systems Testing Under Simulated Space Conditions at Plum Brook Station's Spacecraft Propulsion Research Facility (B-2)

Preparing NASA's Plum Brook Station's Spacecraft Propulsion Research Facility (B-2) to support NASA's new generation of launch vehicles has raised many challenges for B-2's support staff. The facility provides a unique capability to test chemical propulsion systems/vehicles while simulating space thermal and vacuum environments. Designed and constructed in the early 1960s to support upper stage cryogenic engine/vehicle system development, the Plum Brook Station B-2 facility will require modifications to support the larger, more powerful, and more advanced engine systems for the next generation of vehicles leaving earth's orbit. Engine design improvements over the years have included large area expansion ratio nozzles, greater combustion chamber pressures, and advanced materials. Consequently, it has become necessary to determine what facility changes are required and how the facility can be adapted to support varying customers and their specific test needs. Exhaust system performance, including understanding the present facility capabilities, is the primary focus of this work. A variety of approaches and analytical tools are being employed to gain this understanding. This presentation discusses some of the challenges in applying these tools to this project and expected facility configuration to support the varying customer needs.

Edwards, Daryl A.↗

NASA NTRS2015

Can We Trust Computational Modeling for Medical Applications?

Operations in extreme environments such as spaceflight pose human health risks that are currently not well understood and potentially unanticipated. In addition, there are limited clinical and research data to inform development and implementation of therapeutics for these unique health risks. In this light, NASA's Human Research Program (HRP) is leveraging biomedical computational models and simulations (M&S) to help inform, predict, assess and mitigate spaceflight health and performance risks, and enhance countermeasure development. To ensure that these M&S can be applied with confidence to the space environment, it is imperative to incorporate a rigorous verification, validation and credibility assessment (VV&C) processes to ensure that the computational tools are sufficiently reliable to answer questions within their intended use domain. In this presentation, we will discuss how NASA's Integrated Medical Model (IMM) and Digital Astronaut Project (DAP) have successfully adapted NASA's Standard for Models and Simulations, NASA-STD-7009 (7009) to achieve this goal. These VV&C methods are also being leveraged by organization such as the Food and Drug Administration (FDA), National Institute of Health (NIH) and the American Society of Mechanical Engineers (ASME) to establish new M&S VV&C standards and guidelines for healthcare applications. Similarly, we hope to provide some insight to the greater aerospace medicine community on how to develop and implement M&S with sufficient confidence to augment medical research and operations.

Mulugeta, Lealem↗

NASA NTRS2015

Visualization and Quantification of Rotor Tip Vortices in Helicopter Flows

Helicopter aeromechanics encompasses a highly vortical flow field. The vortices generated at each blade tip contain unsteady, complex, three-dimensional structures, which interact with each other, other blades, the fuselage and various components of the helicopter. It is crucial to understand vortex kinematics and their subsequent dynamic evolution. Much research has been devoted to the understanding of helicopter vortex dynamics, including a number of experimental studies.1-6 In May 2010 Particle Image Velocimetry (PIV) measurements of a full-scale UH-60A rotor were acquired in the National Full-Scale Aerodynamics Complex (NFAC) 40- by 80-Foot Wind Tunnel.1 These measurements were taken at a plane just downstream of the advancing blade in the vicinity of the blade tip—the so-called PIV plane. The resulting PIV data were then processed using an ensemble-average approach to create graphical representations of the vortical wake velocity and vorticity fields, which, in turn, have enhanced the understanding of rotorcraft vortical wake flow field physics and have provided a more detailed validation of vortical wake computer simulations.7 A common approach used to analyze flow field features is to compute and plot color contour maps of various scalar quantities such as pressure, velocity magnitude and vorticity magnitude. For example, the color map of the vorticity magnitude is typically used to determine vortical flow structure. With this approach the vortex core may appear larger or smaller, depending on the contour levels that are selected. Thus, the resulting visualization is sensitive to user-specified contour levels. For vortex core radius measurements, it is more accurate to calculate the vortex core radius using the cross-flow velocity profile across the vortex core. The task of extracting the cross-flow velocity profile can be time consuming with existing tools since the user needs to manually select the core center then specify sampling points along the profile axis. The task becomes even more challenging when the associated grid system uses AMR (Adaptive Mesh Refinement) where the profile axis could span multiple grid blocks. There are a number of existing techniques for profiling of vortex core attributes;8-9 however, these techniques are not fully automatic in that the user still needs to select the vortex core center to compute the cross-flow velocity profile. The present study introduces a new color map scheme that is based on the vortex core radius, which is fully automatic and does not require user intervention. Analysis and visualization of blade tip vortices on the PIV plane using the proposed new color map scheme are described in Section II. The new approach is evaluated using two case studies, which are described in Section III. The paper ends with a summary in Section IV.

Quantification↗

NASA NTRSDate not supplied

Evaluating The Relationships Between Supine Propriorception Assessments with Upright Functional Mobility and Balance Tests

INTRODUCTION Upon return to Earth, spaceflight sensorimotor adaptations can result in impaired posture and locomotion [1], [2], and current exercise countermeasures in the International Space Station are not sufficient to maintain sensorimotor function. In-flight countermeasures and assessment tools for sensorimotor function are needed to mitigate risks associated with mission-critical task performance upon return to Earth or arrival to 0.38 G on Mars. One proposed countermeasure for proprioceptive deconditioning includes training on a tilt board device [3], which will be tested in an upcoming bed rest study. In preparation for the said study, the objective of this pilot study is to compare performance in supine proprioceptive assessments to performance in functional upright activities. The results are intended to guide the selection of supine assessment tools for the upcoming bedrest study and the development of future inflight proprioceptive training and assessment tools for exploration missions. METHODS Seventeen healthy participants (8 males and 9 females, 27.9 ± 8.5 years) provided informed consent as approved by the Institutional Review Board (IRB) at NASA. A horizontal air-bearing sled was used to provide a proprioceptive challenge in a supine body orientation, allowing for mediolateral motion with minimal friction during supine stance [4]. Participants were loaded axially (30 to 60% body weight) with their feet on a vertically oriented tilt board and instructed to perform supine assessment activities using custom software that displays a cursor controlled by tilting the tilt board. In a single-leg static activity on the tilt board (TB-St), performance was measured as the percent time spent on a center target during a 30-second trial. During a two-feet dynamic activity on the tilt board (TB-Dy), performance was measured as the number of targets captured in 30 seconds. These supine tasks were compared to performance during two upright activities used to represent upright performance: completion time for a functional mobility task (FMT) [2],[5] and a performance score from force plate sway data during 30-second single-leg upright standing (USL). RESULTS AND DISCUSSION A Spearman's rank-order correlation was run to assess the relationship between upright and supine assessments. There were statistically significant, strong correlations between scores for the FMT and each TB activity, including TB-St, rs(17) = 0.50, p<0.05, TB-Dy3, rs(17) = 0.73, p<0.001, and TB-Dy9, rs(15) = 0.53, p<0.05. There were no statistically significant correlations between USL and each TB activity. Despite a lack of correlation with upright single-leg balance, the ability of the TB to indicate upright performance in the FMT is promising, as this task is a standard post-flight measure designed to characterize locomotor dysfunction [2], [5]. CONCLUSION These efforts will inform the selection of an appropriate sensorimotor assessment method for the upcoming bed rest study and similar future studies. While current work uses a bed rest analog to develop these technologies, future work aims to prepare capabilities for future in-flight sensorimotor training and assessment to mitigate the risks of proprioception impairment after spaceflight. ACKNOWLEDGEMENTS This work was supported by the University Space Research Association Internship Program. REFERENCES [1] Mulavara A.P. et al (2018) Med Sci Sports Exerc, 50(9), 1961-1980. [2] Mulavara A.P. et al (2010) Exp Brain Res, 202(3), 649-659. [3] Macaulay T.R. et al (2021) Front. Syst. Neurosci., 15, 658-985. [4] Goel R. et al (2017) Front. Syst. Neurosci, 11. [5] Koppelmans V. et al (2013) BMC Neurology, 12.

R Bellisle↗

NASA NTRSDate not supplied

Space Transformation -- Localizing the Remote and Connecting the Isolated

In motivating the Space Transformation theme for this year’s 4S symposium, the organizers provided the following context, “Transformation of economies are driven by a change in values and accelerated by new technologies.” These words rang particularly true when I read them at the beginning of the holiday season. Like so many others, I was in the early phases of my Christmas shopping procrastination campaign, and I’d just been reflecting on how Amazon Prime was the transformational tool I’d been waiting for. Basic limiting principles of time and space, supply and demand, were all but erased by the Amazon Prime phenomenon. Coupled with emerging 3D printing and other adaptive manufacturing technologies, a transformation from deliberate planning to “think it … have it” had occurred, empowering me to procrastinate longer than I’d ever dreamed possible. The organizers went on to ponder, “Will space transformation also affect society?”, just as our team at the Air Force Research Lab’s (AFRL) Center for Rapid Innovation (CRI) were working alongside partners within our larger Integrated Capabilities Directorate, NASA’s Flight Opportunities and Small Spacecraft Technology programs, and DARPA’s Luna-10 program to develop technologies and execute demonstration missions that leverage the space domain to genuinely connect even the most remote and austere domains on the timeline of need. Picking apart the miracle that is Amazon prime, where does the model fail, and why? More relevantly to the theme of this year’s symposium, how can the space domain be used to overcome its limitations and minimize its weaknesses? Perhaps it is best assessed in the context of Use Cases. What are the Amazon delivery cost, schedule, and cargo limiters to the Amundsen-Scott South Pole Research Station, or the Lunar South Pole Research Station? This paper will explore enabling infrastructure that allows Amazon prime to thrive and assess the transformational enabling technologies that would be necessary to extend that miracle to the truly remote or the truly austere. Localizing the Remote • First, it will evaluate the ability of the on-going AFRL Rocket Cargo and Space Initiatives Ringside Seats systems, coupled with Astrobotic’s Xodiak and Xogdor capabilities, developed to support the NASA Flight Opportunities Program (FOP), to supply orbital/suborbital delivery to both improved and austere sites on the Earth and Moon. • Then, it will add the surface terminal distribution leg, with an examination of Lunar Outpost’s Mobile Autonomous Prospecting Platform (MAPP), equipped with Mobile Autonomous Robotic Swarm (MARS) software, and Intuitive Machine’s Hopper, developed with support of AFRL and NASA’s Commercial Lunar Payload Services (CLPS) program. Connecting the Isolated From there, it will focus on the destination, asking what implied destination services are required to support highly assured autonomous delivery. • Specifically, it will highlight Astrobotic’s Skymage mesh-networked publish and subscribe communication and navigation service, as well as AFRL’s on-going developments of radioisotope and reactor nuclear-sourced thermoelectric power generation and distribution systems under development under the Joint Emergent Technology Supplying On-orbit Nuclear Power (JETSON) program by Lockheed Martin, Westinghouse, Intuitive Machines, and Zeno Power, to provide the power service to locations well off the grid. • Finally, the paper will connect to the “human machine”. What connects the remote or in-situ human consumer to the remote domain? What connects the diverse international government and commercial services to each other? The former will focus on AFRL’s OraCloud feeding their Space Defense Control and Characterization System (SDCCS) and Lunar Station’s MoonHacker systems, while the latter will focus on the BlueHalo/Tensor LunX Technology Platform for the Cislunar Commodity Marketplace. In 1984, Krafft Ehricke famously remarked that, “If God wanted man to become a spacefaring species, He would have given man a Moon.” This paper is not about the Moon, but is about humans as a spacefaring species, shedding the pesky land/air limitations of the Amazon Prime model … so that we can all live a procrastinator’s “think it … have it” existence.

Charles Finley↗

DOE OSTI2013

Beyond climate-smart agriculture: toward safe operating spaces for global food systems

Agriculture is considered to be climate-smart when it contributes to increasing food security, adaptation and mitigation in a sustainable way. This new concept now dominates current discussions in agricultural development because of its capacity to unite the agendas of the agriculture, development and climate change communities under one brand. In this opinion piece authored by scientists from a variety of international agricultural and climate research communities, we argue that the concept needs to be evaluated critically because the relationship between the three dimensions is poorly understood, such that practically any improved agricultural practice can be considered climate-smart. This lack of clarity may have contributed to the broad appeal of the concept. From the understanding that we must hold ourselves accountable to demonstrably better meet human needs in the short and long term within foreseeable local and planetary limits, we develop a conceptualization of climate-smart agriculture as agriculture that can be shown to bring us closer to safe operating spaces for agricultural and food systems across spatial and temporal scales. Improvements in the management of agricultural systems that bring us significantly closer to safe operating spaces will require transformations in governance and use of our natural resources, underpinned by enabling political, social and economic conditions beyond incremental changes. Establishing scientifically credible indicators and metrics of long-term safe operating spaces in the context of a changing climate and growing social-ecological challenges is critical to creating the societal demand and political will required to motivate deep transformations. Answering questions on how the needed transformational change can be achieved will require actively setting and testing hypotheses to refine and characterize our concepts of safer spaces for social-ecological systems across scales. This effort will demand prioritizing key areas of innovation, such as (1) improved adaptive management and governance of social-ecological systems; (2) development of meaningful and relevant integrated indicators of social-ecological systems; (3) gathering of quality integrated data, information, knowledge and analytical tools for improved models and scenarios in time frames and at scales relevant for decision-making; and (4) establishment of legitimate and empowered science policy dialogues on local to international scales to facilitate decision making informed by metrics and indicators of safe operating spaces.

Gulledge, Jay↗

DOE OSTI2018

Risk Analysis Application to Project Management

Oak Ridge National Laboratory staff are performing risk assessments for the Department of Energy Office of Nuclear Materials Integration for use in project management. The goal was to provide tools to help manage Department of Energy projects that require cross-functional teams to implement a project with a variety of drivers or constraints. The methodology is flexible and can be adapted for the level of rigor needed for the project. This paper focuses on risk assessments and risk mitigation planning for projects in their early stage of development when only preliminary project information is likely to be available. The methodology has been successfully used during the planning phases of projects to guide selection of tasks to be performed to reduce risk, lower costs, and improve chances of success.

Robinson, Sharon↗

DOE OSTI2015

TU-AB-303-02: A Novel Surrogate to Identify Anatomical Changes During Radiotherapy of Head and Neck Cancer Patients

Purpose: To develop a novel method to monitor external anatomical changes in head and neck cancer patients in order to help guide adaptive radiotherapy decisions. Methods: The method, developed in MATLAB, reveals internal anatomical changes based on variations observed in external anatomy. Weekly kV-CBCT scans from 11 Head and neck patients were retrospectively analyzed. The pre-processing step first corrects each CBCT for artifacts and removes pixels from the immobilization mask to produce an accurate external contour of the patient’s skin. After registering the CBCTs to the initial planning CT, the external contours from each CBCT (CBCTn) are transferred to the first week — reference — CBCT{sub 1}. Contour radii, defined as the distances between an external contour and the central pixel of each CBCT slice, are calculated for each scan at angular increments of 1 degree. The changes in external anatomy are then quantified by the difference in radial distance between the external contours of CBCT1 and CBCTn. The radial difference is finally displayed on a 2D intensity map (angle vs radial distance difference) in order to highlight regions of interests with significant changes. Results: The 2D radial difference maps provided qualitative and quantitative information, such as the location and the magnitude of external contour divergences and the rate at which these deviations occur. With this method, anatomical changes due to tumor volume shrinkage and patient weight loss were clearly identified and could be correlated with the under-dosage of targets or over-dosage of OARs. Conclusion: This novel method provides an efficient tool to visualize 3D external anatomical modification on a single 2D map. It quickly pinpoints the location of differences in anatomy during the course of radiotherapy, which can help determine if a treatment plan needs to be adapted.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1981

Design, evaluation, and fabrication of low-cost composite blades for intermediate-size wind turbines

Low cost approaches for production of 60 ft long glass fiber/resin composite rotor blades for the MOD-OA wind turbine were identified and evaluated. The most cost-effective configuration was selected for detailed design. Subelement and subscale specimens were fabricated for testing to confirm physical and mechanical properties of the composite blade materials, to develop and evaluate blade fabrication techniques and processes, and to confirm the structural adequacy of the root end joint. Full-scale blade tooling was constructed and a partial blade for tool and process tryout was built. Then two full scale blades were fabricated and delivered to NASA-LeRC for installation on a MOD-OA wind turbine at Clayton, New Mexico for operational testing. Each blade was 60 ft. long with 4.5 ft. chord at root end and 2575 lbs weight including metal hub adapter. The selected blade configuration was a three cell design constructed using a resin impregnated glass fiber tape winding process that allows rapid wrapping of primarily axially oriented fibers onto a tapered mandrel, with tapered wall thickness. The ring winder/transverse filament tape process combination was used for the first time on this program to produce entire rotor blade structures. This approach permitted the complete blade to be wound on stationary mandrels, an improvement which alleviated some of the tooling and process problems encountered on previous composite blade programs.

Weingart, O.↗

DOE OSTI2025

Depolymerization as a Design Strategy: Depolymerization Etching of Polymerization-Induced Microphase Separations

Thermally triggered depolymerization has traditionally been viewed through the lens of sustainability and recycling, not as a constructive tool for materials design. Herein, we show that selective, thermally triggered depolymerization to gaseous monomer serves as a solvent-free strategy for generating porosity in nanostructured polymer materials, offering a means to bypass the mass transport limitations inherent in conventional solution-based etching. As a demonstration platform, we employed polymerization-induced microphase separation (PIMS) to generate disordered bicontinuous block copolymer structures with embedded depolymerizable domains. By incorporating a methacrylate block susceptible to thermal depolymerization within a cross-linked, depolymerization-resistant styrenic matrix, we developed a process we term depolymerization etching of polymerization-induced microphase separations (DEPIMS). This approach enables highly selective and efficient domain removal via reversion to monomer to produce mesoporous materials with high surface areas (>200 m 2 /g). Subsequent surface functionalization yielded mesoporous adsorbents with tunable uptake kinetics and among the highest dye adsorption capacities reported for PIMS-derived materials, demonstrating the adaptability of the DEPIMS platform for chemical separations. DEPIMS can also be extended to a gram-scale, one-pot approach to yield mesoporous materials with recoverable monomer in under 12 h. These findings reposition thermal depolymerization from a sustainability tool to a broadly enabling strategy for scalable, on-demand fabrication of functional nanostructured materials.

Depolymerization↗

DOE OSTI2016

WE-AB-209-08: Novel Beam-Specific Adaptive Margins for Reducing Organ-At-Risk Doses

Purpose: Current practice of using 3D margins in radiotherapy with high-energy photon beams provides larger-than-required target coverage. According to the photon depth-dose curve, target displacements in beam direction result in minute changes in dose delivered. We exploit this behavior by generating margins on a per-beam basis which simultaneously account for the relative distance of the target and adjacent organs-at-risk (OARs). Methods: For each beam, we consider only geometrical uncertainties of the target location perpendicular to beam direction. By weighting voxels based on its proximity to an OAR, we generate adaptive margins that yield similar overall target coverage probability and reduced OAR dose-burden, at the expense of increased target volume. Three IMRT plans, using 3D margins and 2D per-beam margins with and without adaptation, were generated for five prostate patients with a prescription dose Dpres of 78Gy in 2Gy fractions using identical optimisation constraints. Systematic uncertainties of 1.1, 1.1, 1.5mm in the LR, SI, and AP directions, respectively, and 0.9, 1.1, 1.0mm for the random uncertainties, were assumed. A verification tool was employed to simulate the effects of systematic and random errors using a population size of 50,000. The fraction of the population that satisfies or violates a given DVH constraint was used for comparison. Results: We observe similar target coverage across all plans, with at least 97.5% of the population meeting the D98%>95%Dpres constraint. When looking at the probability of the population receiving D5<70Gy for the rectum, we observed median absolute increases of 23.61% (range, 2.15%–27.85%) and 6.97% (range, 0.65%–17.76%) using per-beam margins with and without adaptation, respectively, relative to using 3D margins. Conclusion: We observed sufficient and similar target coverage using per-beam margins. By adapting each per-beam margin away from an OAR, we can further reduce OAR dose without significantly lowering target coverage probability by irradiating more less-important tissues. This work is supported by Cancer Research UK under Programme C33589/A19908. Research at ICR is also supported by Cancer Research UK under Programme C33589/A19727 and NHS funding to the NIHR Biomedical Research Centre at RMH and ICR.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2021

Wabash CarbonSAFE (Subtask 3.1 - Application of the NRAP Tools to the Wabash CarbonSAFE Site for Risk Assessment Associated with Geologic Carbon Storage Activities)

This report documents a risk assessment of CO 2 containment loss and induced shear failure due to geologic carbon storage at the Wabash CarbonSAFE site. The operator, Wabash Valley Resources, has proposed adapting the onsite integrated gasification combined cycle (IGCC) facilities to produce hydrogen and injecting the byproduct CO 2 stream into the subsurface Potosi dolomite formation. The purpose of this study is to assess (1) CO 2 sequestration performance relative to the CarbonSAFE goals of storing 50 Mt over 30 years, (2) the risk of containment loss due to leakage along a wellbore and into an overlying aquifer, and (3) the state of stress and risk of reactivating existing fractures. This study relied upon the initial site characterization work performed by the Illinois State Geologic Survey (ISGS) along with analogue data collected from other carbon sequestration projects in the region.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1997

The Volume Grid Manipulator (VGM): A Grid Reusability Tool

This document is a manual describing how to use the Volume Grid Manipulation (VGM) software. The code is specifically designed to alter or manipulate existing surface and volume structured grids to improve grid quality through the reduction of grid line skewness, removal of negative volumes, and adaption of surface and volume grids to flow field gradients. The software uses a command language to perform all manipulations thereby offering the capability of executing multiple manipulations on a single grid during an execution of the code. The command language can be input to the VGM code by a UNIX style redirected file, or interactively while the code is executing. The manual consists of 14 sections. The first is an introduction to grid manipulation; where it is most applicable and where the strengths of such software can be utilized. The next two sections describe the memory management and the manipulation command language. The following 8 sections describe simple and complex manipulations that can be used in conjunction with one another to smooth, adapt, and reuse existing grids for various computations. These are accompanied by a tutorial section that describes how to use the commands and manipulations to solve actual grid generation problems. The last two sections are a command reference guide and trouble shooting sections to aid in the use of the code as well as describe problems associated with generated scripts for manipulation control.

Alter, Stephen J.↗

DOE OSTI2026

Generative Models for Crystalline Materials

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and accelerating materials discovery. Early ML approaches primarily focused on constructing and screening large material spaces to identify promising candidates for various applications. More recently, research efforts have increasingly shifted toward generating crystal structures using end-to-end generative models. This review analyzes the current state of generative modeling for crystal structure prediction and de novo generation. It examines crystal representations, outlines the generative models used to design crystal structures, and evaluates their respective strengths and limitations. Furthermore, the review highlights experimental considerations for evaluating generated structures and provides recommendations for suitable existing software tools. Emerging topics, such as modeling disorder and defects, integration in advanced characterization, incorporating synthetic feasibility constraints, and model explainability are explored. Ultimately, this work aims to inform both experimental scientists looking to adapt suitable ML models to their specific circumstances and ML specialists seeking to understand the unique challenges related to inverse materials design and discovery.

Metni, Houssam [Karlsruhe Inst. of Technology (KIT↗

DOE OSTI2013

Modeling and comparative assessment of municipal solid waste gasification for energy production

Highlights: • Study developed a methodology for the evaluation of gasification for MSW treatment. • Study was conducted comparatively for USA, UAE, and Thailand. • Study applies a thermodynamic model (Gibbs free energy minimization) using the Gasify software. • The energy efficiency of the process and the compatibility with different waste streams was studied. - Abstract: Gasification is the thermochemical conversion of organic feedstocks mainly into combustible syngas (CO and H{sub 2}) along with other constituents. It has been widely used to convert coal into gaseous energy carriers but only has been recently looked at as a process for producing energy from biomass. This study explores the potential of gasification for energy production and treatment of municipal solid waste (MSW). It relies on adapting the theory governing the chemistry and kinetics of the gasification process to the use of MSW as a feedstock to the process. It also relies on an equilibrium kinetics and thermodynamics solver tool (Gasify®) in the process of modeling gasification of MSW. The effect of process temperature variation on gasifying MSW was explored and the results were compared to incineration as an alternative to gasification of MSW. Also, the assessment was performed comparatively for gasification of MSW in the United Arab Emirates, USA, and Thailand, presenting a spectrum of socioeconomic settings with varying MSW compositions in order to explore the effect of MSW composition variance on the products of gasification. All in all, this study provides an insight into the potential of gasification for the treatment of MSW and as a waste to energy alternative to incineration.

09 BIOMASS FUELS↗