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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS2001

ISS-Crystal Growth of Photorefractive Materials (BSO): Critical Design Issues for Optimized Data Extraction from Space Experiments

Realization of the full potential of photorefractive materials in device technology is seriously impeded by our inability to achieve controlled formation of critical defects during single crystal growth and by difficulties in meeting the required degree of compositional uniformity on a micro-scale over macroscopic dimensions. The exact nature and origin of the critical defects which control photorefractivity could not as yet be identified because of gravitational interference. There exists, however, strong evidence that the density of defect formation and their spatial distribution are adversely affected by gravitational interference which precludes the establishment of quantifiable and controllable heat and mass transfer conditions during crystal growth. The current, NASA sponsored research at MIT is directed at establishing a basis for the development of a comprehensive approach to the optimization of property control during melt growth of photorefractive materials, making use of the m-g environment, provided in the International Space Station. The objectives to be pursued in m-g research on photorefractive BSO (Bi12SiO20) are: (a) identification of the x-level(s) responsible for photorefractivity in undoped BSO; (b) development of approaches leading to the control of x-level formation at uniform spatial distribution; (c) development of doping and processing procedures for optimization of the critical, application specific parameters, spectral response, sensitivity, response time and matrix stability. The presentation will focus on: the rationale for the justification of the space experiment, ground-based development efforts, design considerations for the space experiments, strategic plan of the space experiments, and approaches to the quantitative analysis of the space experiments.

Hyers, Robert W.↗

NASA NTRS1984

Research on computer aided testing of pilot response to critical in-flight events

Experiments on pilot decision making are described. The development of models of pilot decision making in critical in flight events (CIFE) are emphasized. The following tests are reported on the development of: (1) a frame system representation describing how pilots use their knowledge in a fault diagnosis task; (2) assessment of script norms, distance measures, and Markov models developed from computer aided testing (CAT) data; and (3) performance ranking of subject data. It is demonstrated that interactive computer aided testing either by touch CRT's or personal computers is a useful research and training device for measuring pilot information management in diagnosing system failures in simulated flight situations. Performance is dictated by knowledge of aircraft sybsystems, initial pilot structuring of the failure symptoms and efficient testing of plausible causal hypotheses.

Giffin, W. C.↗

NASA NTRSDate not supplied

Experimental Considerations for Ground-Based Testing of Lunar Construction Technologies

NASA’s Moon-To-Mars Planetary Autonomous Construction Technology (MMPACT) project seeks to research, develop, and demonstrate lunar surface construction capabilities - Quantification of lunar regolith’s geotechnical properties allows for effective prediction of forces and displacement during excavation and construction and is critical to facilitating regolith sintering capabilities all of which benefit lunar infrastructure plans - Knowledge of shear strength, Mohr-Coulomb cohesion, angle of internal friction, bearing strength, bulk density, etc. is needed - Ground-based testing of various lunar simulants with relevant hardware (e.g., robotic arm tools) enables validation of technology choices, tool paths, and lunar surface construction activities - Use of Taguchi methods [1] will minimize the number of needed experiments to explore critical input parameter

Moon↗

NASA NTRSDate not supplied

The Need for Earth-Based Experiments to Inform Microbial Evolution on Planetary Surfaces

Introduction: Historically, the focus of planetary protection at NASA has been on unmanned, robotic missions. Such missions have paved the way for understanding how to implement planetary protection in a feasible and cost-sensitive way. However, with the introduction of crewed missions to Mars in the not-sodistant future, there is a need to better define and understand how to implement planetary protection under new circumstances, as well as understand the risk of contaminating Mars. One unavoidable fact is that microbes will go where humans go. Therefore, it is critical to understand how these microbes may (and will) impact our ability to conduct meaningful, reliable astrobiological science. Microorganisms have spent millions of years evolving to survive in extreme environments here on Earth. Already there are indications that microbes aboard the International Space Station evolve and adapt to life in low earth orbit. The microbes that are eventually taken to Mars with humans will also adapt, potentially causing harmful effects to crew and/or the planetary or astrobiological science conducted. Therefore, it is of critical interest that we evaluate and characterize the potential risks of microbial evolution on Mars. It is expected that microbes carried by humans will begin to evolve to new environments even before landing on Mars, during the several month cruise phase. Once landed, microbes will encounter different stressors within the crew habitats on Mars. During extravehicular activities, venting, or other release events, microbes will find their way out onto the Martian surface. The induced environments around crewed systems will create potentially-favorable conditions for microbes to continue evolving on Mars. Eventually, microbes may find their way beyond the close confines of the crewed area and continue evolving so as to fill new or distant niches on the Martian surface. It is challenging to replicate Martian environments here on Earth, making it nearly impossible to predict the evolutionary changes that microbes would undergo on Mars. But this work is critical. Serial passaging experiments performed by Richard Lenski on E. coli show the dramatic changes microbes can undergo even within a laboratory setting. Furthermore, experiments performed by Michael Baym also demonstrate the power of single mutations in microbial development of antibiotic resistance [3]. Long duration experiments should be performed on a suite of microbes exposed to environments likely to be experienced on the Martian surface. While simulating space environments can be challenging, facilities exist that can achieve individual and combinatorial environmental conditions to simulate space and planetary conditions. Such chambers should be employed for microbial studies. Currently, at the Marshall Space Flight Center, we have used various stressors like drying, vacuum, proton radiation, and ultraviolet light both separately and in combination, to evaluate the survival of cleanroom microbes. Shockingly, several non-spore forming isolates have demonstrated the ability to survive many extreme conditions (manuscript in preparation). These short duration exposures must be augmented with larger and more gradual studies to replicate what microbes might experience in the transition from cruise, to surface habitats, to induced surface environments, and finally true Martian environments. While no Earth-based experiment can perfectly replicate the Martian environment, nor could we test every possible microbe in simulation experimental regimes, efforts should be made to examine the evolutionary potential of the “usual suspects” seen on the ISS or in other crewed environments to begin to fill this important knowledge gap.

Chelsi D. Cassilly↗

NASA NTRSDate not supplied

LUNAR REGOLITH:SMALL SCALE ROBOTIC SITE PREPARATION AND GEOTECHNICAL EXPERIMENTSWITH SCOOPS

NASA’s Moon-To-Mars Planetary Autonomous Construction Technology (MMPACT) project seeks to research, develop, and demonstrate lunar surface construction capabilities. Quantification of lunar regolith’s geotechnical properties allows for effective prediction of forces and displacement during excavation and construction and is critical to facilitating regolith sintering capabilities all of which benefit lunar infrastructure plans. Knowledge of shear strength, Mohr-Coulomb cohesion, angle of internal friction, bearing strength, bulk density, etc. is needed. The use of ground-based testing of various lunar simulants with relevant hardware (e.g., robotic arm tools) enables validation of technology choices, tool paths, and lunar surface construction activities. In addition, the use of Taguchi methods will minimize the number of needed experiments to explore critical input parameters.

R. P. Mueller↗

NASA NTRS1978

Analytical and numerical investigation of structural response of compliant wall materials, part 1

Surface motion of compliant walls in drag reduction experiments was analyzed. Critical comparison was made between the dynamic motion of the structure and the postulated mechanism of drag reduction. The spectrum of surface motion indicated that membranes over deep cavities respond at low frequencies and large wavelengths. The membrane over a deep cavity is therefore found not to yield the desired response predicted by the postulated mechanism. The membrane over a thin air gap is found to act as a wavelength chopper, and analysis of the nonlinear response of that compliant surface indicated its possible suitability for compliant wall experiments. Periodic structures are found to lock in the desired wavelengths of motion, and it was shown that at least in Kramer's initial experiments they produced high frequency surface motions. Laminated structures are found to be very ineffective as compliant models, except when there is no bonding between the membrane and the backing. Computer programs developed for these analyses are documented.

Balasubramanian, R.↗

NASA NTRS1994

Experience report: Using formal methods for requirements analysis of critical spacecraft software

Formal specification and analysis of requirements continues to gain support as a method for producing more reliable software. However, the introduction of formal methods to a large software project is difficult, due in part to the unfamiliarity of the specification languages and the lack of graphics. This paper reports results of an investigation into the effectiveness of formal methods as an aid to the requirements analysis of critical, system-level fault-protection software on a spacecraft currently under development. Our experience indicates that formal specification and analysis can enhance the accuracy of the requirements and add assurance prior to design development in this domain. The work described here is part of a larger, NASA-funded research project whose purpose is to use formal-methods techniques to improve the quality of software in space applications. The demonstration project described here is part of the effort to evaluate experimentally the effectiveness of supplementing traditional engineering approaches to requirements specification with the more rigorous specification and analysis available with formal methods.

Lutz, Robyn R.↗

NASA NTRS1994

Experience Report: Using Formal Methods for Requirements Analysis of Critical Spacecraft Software

Formal↗

NASA NTRS2000

Calibrating Atmospheric Delay for the Cassini Gravitational Wave Experiment

The Cassini spacecraft together with one of the stations of the Deep Space Network (DSN) have been instrumented to carry out extremely precise Doppler tracking that will be used to search for the direct evidence of Gravitational radiation passing through our solar system. The two-way communications link between the ground antenna and the spacecraft constitute an "antenna" for gravitational waves that would perturb the phase of the RF signal in the link. The experiments will be carried out during the long cruise phase of the spacecraft on its journey to Saturn and will be sensitive to gravitational wave perturbations larger than the noise level fluctuations of 3 x 10(exp -15) as measured in the Allan Standard Deviation domain. The use of simultaneous, coherent X- and Ka-Band up and down signals will reduce the errors associated with charged particle fluctuations in the interplanetary medium and Earth's ionosphere to a negligible level. The primary fluctuations in the phase of the signals both to and from the spacecraft are expected to be caused by fluctuations in water vapor in the Earth's atmosphere We have designed and are testing a new atmospheric calibration system (with duplicate components) to sense line-of-sight water vapor and its physical temperature with a goal of calibrating 95% or more of tropospheric path delay fluctuations during the Cassini Gravitational Wave Experiment (GWE). The critical component of the calibration system consists of a newly designed water vapor radiometer having a I degree sensing beamwidth and 0.01 K brightness temperature stability over hour time scales. Auxiliary instrumentation includes a microwave temperature profiler to retrieve the vertical distribution of the vapor physical temperature, and surface meteorology. A detailed error budget has been developed to account for all of the possible sources of error during calibration of the GWE and will be discussed. Two identical calibration systems have been constructed in order to provide capability as well as backup during the actual GWE experiment. We will report on side-by-side testing of the vapor and temperature sensing components of this calibrations system as well as a comparison with a short baseline radio interferometric measurement at our Goldstone complex.

Resch, G. M.↗

NASA NTRS1994

Using formal specification in the Guidance and Control Software (GCS) experiment. Formal design and verification technology for life critical systems

The goal of this task was to investigate how formal methods could be incorporated into a software engineering process for flight-control systems under DO-178B and to demonstrate that process by developing a formal specification for NASA's Guidance and Controls Software (GCS) Experiment. GCS is software to control the descent of a spacecraft onto a planet's surface. The GCS example is simplified from a real example spacecraft, but exhibits the characteristics of realistic spacecraft control software. The formal specification is written in Larch.

Weber, Doug↗

NASA NTRS1997

Microgravity Science and Applications: Program Tasks and Bibliography for Fiscal Year 1996

NASA's Microgravity Science and Applications Division (MSAD) sponsors a program that expands the use of space as a laboratory for the study of important physical, chemical, and biochemical processes. The primary objective of the program is to broaden the value and capabilities of human presence in space by exploiting the unique characteristics of the space environment for research. However, since flight opportunities are rare and flight research development is expensive, a vigorous ground-based research program, from which only the best experiments evolve, is critical to the continuing strength of the program. The microgravity environment affords unique characteristics that allow the investigation of phenomena and processes that are difficult or impossible to study an Earth. The ability to control gravitational effects such as buoyancy driven convection, sedimentation, and hydrostatic pressures make it possible to isolate phenomena and make measurements that have significantly greater accuracy than can be achieved in normal gravity. Space flight gives scientists the opportunity to study the fundamental states of physical matter-solids, liquids and gasses-and the forces that affect those states. Because the orbital environment allows the treatment of gravity as a variable, research in microgravity leads to a greater fundamental understanding of the influence of gravity on the world around us. With appropriate emphasis, the results of space experiments lead to both knowledge and technological advances that have direct applications on Earth. Microgravity research also provides the practical knowledge essential to the development of future space systems. The Office of Life and Microgravity Sciences and Applications (OLMSA) is responsible for planning and executing research stimulated by the Agency's broad scientific goals. OLMSA's Microgravity Science and Applications Division (MSAD) is responsible for guiding and focusing a comprehensive program, and currently manages its research and development tasks through five major scientific areas: biotechnology, combustion science, fluid physics, fundamental physics, and materials science. FY 1996 was an important year for MSAD. NASA continued to build a solid research community for the coming space station era. During FY 1996, the NASA Microgravity Research Program continued investigations selected from the 1994 combustion science, fluid physics, and materials science NRAS. MSAD also released a NASA Research Announcement in microgravity biotechnology, with more than 130 proposals received in response. Selection of research for funding is expected in early 1997. The principal investigators chosen from these NRAs will form the core of the MSAD research program at the beginning of the space station era. The third United States Microgravity Payload (USMP-3) and the Life and Microgravity Spacelab (LMS) missions yielded a wealth of microgravity data in FY 1996. The USMP-3 mission included a fluids facility and three solidification furnaces, each designed to examine a different type of crystal growth.

Source record↗

NASA NTRS1998

Firsthand Perspective on the Microgravity Environment

Extended periods of microgravity simply cannot be created on Earth and rely on orbiting spacecraft in low earth orbit. These low microgravity levels are one of the most critical resources for most experiments being conducted aboard the space shuttle and those proposed for the International Space Station. A second critical resource for successfully conducting many of these experiments in space is the presence of human beings. Trained mission specialists and payload specialists become the eyes and ears of the scientists on the ground. In their function as in-flight technicians and "observers" they are important for reporting first hand the progress of the experiments, as well as being on call to trouble shoot malfunctioning equipment and, make necessary repairs. Unfortunately, as important as astronauts are to the successful performance of many experiments, they can be in conflict with the first goal of achieving as pristine a microgravity environment as possible. A simple astronaut sneeze has been calculated to induce a perturbation of 10(exp -5) g which may adversely affect some of the more sensitive experiments. A first hand perspective of what it is like to work in this environment and ways crewmembers can work more effectively to minimize disturbances will be discussed as well as ways that the ground can assist crewmembers to protect the microgravity environment.

Thomas, Donald A.↗

DOE OSTI2026

The Role of Nuclear Data Sensitivities in Prompt α-Eigenvalue Predictions of Delayed Critical Benchmarks

Alpha (α) eigenvalues, which describe the logarithmic time derivative of the neutron population in a multiplying system, are integral to time-dependent behavior and diagnostic applications. However, uncertainties in the evaluated nuclear data can significantly impact the accuracy of transport simulations for such quantities. This work explores the use of machine learning models to predict two key outputs, α-eigenvalues and keff bias, using input features derived from α-eigenvalue sensitivities to nuclear data. The criticality safety benchmark models used in this study come from the International Handbook of Evaluated Criticality Safety Benchmark Experiments. Three models, random forest, XGBoost, and NGBoost, are trained on both energy-resolved and energy-summed α sensitivities. For the α-eigenvalue bias prediction, NGBoost achieved the highest R 2 (0.9476) using energy-resolved features, while XGBoost performed best using summed sensitivities. In contrast, when predicting the keff bias, all the models showed moderate predictive capability (best R 2 ≈ 0.72), as the mapping from the static α-sensitivities to the static keff bias was less direct. SHAP (SHapley Additive exPlanations) analysis was used to interpret the model predictions. Across both prediction tasks, the features associated with neutron capture [H-1 (n, γ)], uranium scattering reactions (such as 235 U elastic/inelastic), and actinide capture/fission reactions (such as 239 Pu and 234 U) were consistently identified as the most impactful. This highlights the key role of specific nuclear reactions and energy ranges in shaping both time-dependent and steady-state criticality behavior. These results demonstrated that α-sensitivities, despite being computed for time-dependent metrics, can provide valuable insights for predicting both α-eigenvalues and the keff bias. Moreover, machine learning models offer a promising pathway for uncovering important nuclear data dependencies and guiding future data evaluation efforts.

Nuclear data↗

DOE OSTI2025

Precision beam diagnostics at the NuMI facility using muon monitor observations

The Neutrinos at the Main Injector (NuMI) facility at Fermilab delivers an intense neutrino beam for multiple experiments by producing pions that decay into neutrinos, muons, and other particles. Magnetic horns—the primary pion focusing elements in the NuMI beamline—exhibit predominantly linear optics, enabling a predictable relationship between the proton beam and the resulting pion and muon phase spaces. This study has two primary objectives: first, to evaluate and confirm the linearity of the horn focusing mechanism using analytical models and numerical simulations; and second, to demonstrate that key beam parameters—such as proton beam intensity, beam position on target, and horn current—can be extracted from muon monitor observations within this linear optics framework. Using a machine learning model trained on spill-by-spill muon monitor data, we infer the horn current with a precision of ±0.05%, the beam intensity with ±0.1%, and the beam position on target with ±0.018⁢ mm horizontally and ±0.013⁢ mm vertically. This approach provides a reliable cross-check of beam parameters, helping to reduce systematic uncertainties that are critical for future experiments such as the Deep Underground Neutrino Experiment, which will rely on the neutrino beam produced by the Long-Baseline Neutrino Facility.

Beam control↗

DOE OSTI2024

Source of Processable Vitrimer Viscosities: Swap Frequencies and Steric Factors

Vitrimers exhibit high, processable viscosities, where other polymers do not, and are among the most promising polymers for closed-loop material circularity. We sought to investigate the underlying chemical kinetic factors that result in high viscosities for vitrimers, which are crucial to designing vitrimers with tunable viscosity. To interrogate these factors, we achieved the first simulated predictions of real vitrimer viscosities, using a novel kinetic Monte Carlo molecular dynamics method, overcoming the time and length scale gaps to predict experimental bulk viscosities. The vitrimer architecture investigated is based on poly(dimethylsiloxane) chains and vinylogous urethane bond swaps. We probed the effects of the extent of free swapping groups, %F, the activation energy, E A , and the steric factor, ρ. The steric factor is related to the intrinsic reaction probability for molecules with sufficient energy. All three factors were found to be significant, but the role of ρ was found to be the biggest and also the most underappreciated. The results show that the inclusion of accurate ρ is of critical importance for viscosity predictions, with the evidence suggesting that the typical assumption of ρ = 1 is not valid for vitrimers and that, indeed, very low steric factors are present in bond-swap vitrimers such that values of ρ < 10 –10 may be typical. This greatly influences the bond exchange rates and, ultimately, the viscosities. Recognition of this result is necessary for the prediction of vitrimer viscosities from molecular simulations and to make vitrimers by design from molecular dynamics. We also investigated the effects that E A , ρ, and the number of free swapping groups have upon vitreous range temperatures, TV, with respect to achieving a specific viscosity (η V = 1 × 10 8 Pa·s), as well as for a commonly reported higher viscosity extrapolation (η V = 1 × 10 12 Pa·s). The evidence suggests that vitrimers may follow universal curves for E A vs T V , as a function of ρ. Finally, this study achieves the first of these comparisons of molecular simulations to experiments and reveals critical insights toward creating vitrimers by design, while providing a route for the prediction of T V from kinetic Monte Carlo molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Data-Driven Discovery and Experimental Validation of Solvent Polarity Effects on Conjugated Polymer Solution-to-Film Assembly Pathways

Understanding how solvent properties influence the solution-to-film assembly of conjugated polymers remains a critical challenge due to the complex and intertwined nature of polymer–solvent interactions. In this study, we integrate a data-driven framework with experimental validation to identify key parameters influencing the assembly and performance of poly[2,5-(2-octyldodecyl)-3,6-diketopyrrolopyrrole-alt-5,5-(2,5-di(thien-2-yl)thieno[3,2-b]thiophene)] (DPP-DTT) in organic field-effect transistors (OFETs). A machine learning (ML) approach identified the normalized Reichardt polarity parameter (E T N ) as a significant descriptor correlated with DPP-DTT hole mobility (μ). Systematic DPP-DTT devices fabricated using solvents across a wide E T N range revealed that higher E T N solvents yield enhanced μ. To elucidate the structural origins of high μ, we conducted comprehensive analyses using UV–vis–NIR spectroscopy and grazing incidence wide angle X-ray scattering (GIWAXS) measurements. The results revealed that films processed from high E T N solvents exhibit reduced paracrystallinity. By analyzing the solution-state behavior using optical microscopy and solution WAXS, we revealed polymer solubility differences in the various solvents and associated distinct polymer assembly pathways, elucidating why the high E T N solvent produces long-range ordered films. Notably, the high E T N solvent shows a pronounced preference for liquid-crystal (LC)-mediated assembly, providing a mechanistic explanation for the enhanced structural order. Therefore, these results demonstrate that solvent polarity, as evaluated by E T N , serves as an important parameter that plays a significant role in the DPP-DTT assembly pathway and resultant solid-state morphology. This work provides a strategy for integrating data science with experiments to identify critical parameters associated with complex polymer systems and helps guide rational process design for high-performance organic electronics.

36 MATERIALS SCIENCE↗

NASA NTRS2013

Atom Interferometry for Detection of Gravitational Waves: NASA Institute for Advanced Concepts (NIAC) - Phase 1 Final Report

This report presents the results of the 2012-2013 NASA Institute for Advanced Concepts (NIAC) Phase 1 "Atom Interferometry for Detection of Gravitational Waves" project. The origin of this GW (Gravitational Wave) detection concept using atoms can be traced to theoretical work that first appeared in 2008 and also to a satellite mission-focused followup study that was done in 2011. The goal of the current project was to explore both theoretical and technical issues surrounding the implementation of this idea, as well as to begin performing proof-of-concept experiments to validate critical aspects of the proposal.The top level trade space for the detector design is driven by the strategy employed to mitigate laser frequency noise, which, if uncontrolled, can mask GW signatures. One of the advantages of the atom interferometric approach is the possibility of single baseline detection (Fig. 1.1), even in the presence of laser noise. This is enabled by the differential measurement between the two ensembles of atoms, which can result in substantial laser noise suppression. The details of this suppression depend on the atomic physics techniques used to implement the atom interferometry. Specifically, we considered the effect on noise suppression that results from using traditional two-photon Raman transitions (with alkali atoms) and also single-photon transitions (with alkaline earth-like atoms).The interferometers shown in Fig 1.1(b) take advantage of single-photon transitions (as opposed to traditional Raman transitions) because using light pulses from one direction at a time allows for near perfect common-mode cancellation of laser phase noise, even for long baselines. This calls for the use of atomic transitions with an (ideally large) optical energy level difference with a long (greater than 1 second) lifetime, such as high-transitions routinely used for optical atomic clocks in species like Sr, Ca and Yb. Notably, large momentum transfer (LMT) atom optics - and the sensitivity enhancement they confer â€“ can still be realized by simply adding additional pairs of alternating pulses to each beam splitter process. Section 3 reports on the theoretical work we performed to justify this GW detection protocol using single-photon transitions. This approach represents a new method for GW detection using atoms that is distinct from the original proposal from 2008. At the system level, we evaluated three architectures, each of which implements a different solution to the laser frequency noise issue. The first two designs are based on two-photon Raman transitions with Rb atoms. One of these is a three-satellite, multiple baseline design while the other is a two-satellite, single baseline design. The third proposal is a two-satellite, single baseline design that uses single-photon transitions with Sr atoms. These three architectures are described in more detail in Section 2. There are a number of known technical issues that we have started to address using ground-based experiments. These issues include atom technology development needs such as, for example, lower ensemble temperature requirements and large momentum transfer (LMT) atom optics. To this end, we have built a 10-meter scale atom drop tower, where we can perform proof-of-principle demonstrations of the proposed AGIS detector in an environment that permits more than 2.5 seconds of free-fall time. This facility allows for demonstration of atom interferometry with long interrogation time (seconds) and large atom wavepacket

Saif, Babak N.↗

DOE OSTI2025

Hydrogen charging and desorption from microstructural viewpoint: A method for deconvoluting hydrogen desorption spectra and unveiling the hydrogen-microstructure interaction

Understanding the interaction of hydrogen with microstructural features in metallic materials is crucial for designing hydrogen-resistant alloys. Although thermal desorption spectroscopy (TDS) is widely used for investigating the hydrogen binding behavior of various microstructural features, its application to face-centered cubic (fcc) metals and alloys that exhibit low hydrogen diffusivity is limited due to the lumped TDS desorption signals. This paper shows that, by coupling a Sofronis–McMeeking type hydrogen transport model with a microstructure-informed finite-element model, TDS data can be deconvoluted to reveal the underlying adsorption–diffusion–desorption processes, hydrogen diffusivity, and trap-binding energies. In conclusion, the austenitic steel SS316L in solution-annealed condition is used as a demonstration material, and we focused on investigating the interaction of deuterium (hydrogen isotope) with grain boundaries, which is difficult to investigate from experiments alone but critical for design of alloys for hydrogen infrastructure.

Finite element simulation, Polycrystalline Microst↗