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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Carbon nanotube coated metal mesh: Bridging nanoscale and macroscale

A novel hybrid structure has been developed by growing carbon nanotubes (CNTs) on a metal mesh that functions as a literally unlimitedly extendable backbone. This hybrid material structure provides a new approach of extending CNTs’ advantageous properties such as ultrahigh thermal and electrical conductivities, high sensitivity to gases, and distinctive wettability for different liquids with chemical inertness to macroscale—otherwise available only in nano- and microscales. In this feasibility work, CNTs were grown on a Type 316 stainless steel (SS) mesh by self-catalytical chemical vapor deposition (CVD) without the need of an externally added catalyst or catalyst support. For the radially aligned and entangled CNT forest on the SS mesh, the average CNT diameter is around 50 nm, while the length varies from 20 to 25 µm. High-resolution transmission electron microscopy analysis revealed the multiwall structure of the CNTs with >30 rolled-up graphitic sheets. Raman spectra of the CNTs showed a dominant G band, indicating a well-ordered graphitic nanostructure. Being highly hydrophobic with a water contact angle of ∼145° and oleophilic, the CNT-coated SS mesh could be used in fluid separation and organic contaminant removal from water. Moreover, CNTs are recognized for their exceptional thermal conductivity and the CNT-coated mesh offers a supportive structure with directly connected CNTs for efficient heat transfer. Proof of concept has been achieved for the CNT-coated mesh’s potentials as a liquid filter and an thermal interface material (TIM). Specifically, the CNT-coated mesh demonstrated the capability of capturing water from a water-organic mixture with a 100 % efficiency while allowing organic liquids to pass through the filter. Furthermore, when used as a TIM, the CNT-coated mesh reduced the interfacial thermal impedance by >30 %.

Carbon nanotubes (CNTS)↗
DOE OSTI2024

First-Principles Studies of Tritium Species Diffusivity Across the Interface of Nickel-Plated Zircaloy-4

In this study, we will calculate the 3H2 and 3H2O diffusion mechanism in the Ni coated layer and the dominant 3H species dissolution into the Zircaloy-4 getter. We will optimize the Ni/Zr interface and introduce Sn and O impurities. To achieve the objectives, we will perform the investigation by using spin-polarized density functional theory (DFT) methods to capture the effects of Ni magnetic properties on 3H diffusion. We will introduce NiO/Ni(OH) on the Ni side closer to the interface. Then, the 3H diffusion pathways and barriers from Ni side to the zircalory-4 will be explored. We will investigate how NiO/Ni(OH) affects the 3H diffusion across the interface.

Paudel, Hari P.↗
DOE OSTI2025

Development of a Transferable Density-Functional Tight-Binding Model for Organic Molecules at the Water/Platinum Interface

A computationally efficient and transferable approach for modeling reactions at metal/water interfaces could significantly accelerate our understanding and ultimately the development of new catalytic transformations, particularly in the context of the emerging field of biomass conversion. Here, we present a parametrization of Pt–X (X = H, O, C) density-functional tight-binding (DFTB) for addressing this need. We first constructed Pt–H, Pt–O, and Pt–C repulsive potential splines. These pairwise parameters were then augmented to include many-body interactions using the Chebyshev Interaction Model for Efficient Simulation (ChIMES). We compare the geometrical and energetic performances of both DFTB and DFTB/ChIMES methods with DFT reference data across a variety of organic molecules at the platinum surface from nanoparticles to single-crystal surfaces. DFTB shows limited transferability between extended crystal surfaces and small nanoparticles. This transferability is significantly improved through the introduction of three-body interactions with Pt in DFTB/ChIMES, which provides consistent results across various systems, with reductions in the RMSD from around 30 kcal/mol in DFTB to around 10 kcal/mol. We demonstrate the stability and reliability of the obtained parameters by performing metadynamic simulations for the adsorption of phenol on Pt(111). We observe that DFTB itself is undersolvating the surface, leading to only one or two chemisorbed water molecules in a c(4 × 6) unit cell. In contrast, DFTB/ChIMES leads to a coverage of about 0.5 ML and successfully captures the chemisorbed mode of phenol at both the solid/liquid and the solid/gas interfaces. Furthermore, in agreement with experimental measurements, the adsorption at the solid/liquid interface is significantly weaker than that at the solid/gas interface. As a result, we highlight that even with DFTB, where we can accumulate dynamics for more than 1 ns for a given system, the simulations are not fully converged.

Adsorption↗
DOE OSTI2025

Multiphysics Meshfree Degradation Modeling of Energy Storage Materials with Kernel Enrichment

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. Reference: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

25 ENERGY STORAGE↗
DOE OSTI2026

Kernel Enriched Meshfree Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Laboratory of the Rockies (NLR), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. References: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Migration of inclusions in a matrix due to a spatially varying interface energy

An interfacial energy can be a function of a bulk field such as temperature or electric field. Here we find that in a system with a gradient in temperature or electric potential, the resulting variation in interfacial energy can induce a particle to migrate by either surface or bulk diffusion. For a circular particle under a constant unidirectional gradient in the bulk field, the field dependence of the interfacial energy induces a circular particle to move as a circle at a constant velocity along the direction from higher to lower interfacial energy. A linear stability analysis of this steady state migration suggests that perturbations will damp out as time evolves, and thus under these conditions a migrating circular particle is morphologically stable. Other spatial distributions of interface energy can lead to the distortion of an initially circular shaped particle during migration. A phase field model is developed that captures these distortions and verifies the theoretical results mentioned above.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Enhancement of Carbon Capture Reactor Performance (Final Technical Report)

Significant challenges are still present in post-combustion CO 2 capture and new technologies and advanced components are needed to significantly advance the deployment of CO 2 capture for natural gas combined cycle (NGCC) plants. Critical elements of CO 2 capture that still need to be addressed include how to increase CO 2 mass transfer in the absorber column with liquid to gas ratios of <1.2, while reducing the size of the absorber column to reduce capital costs. Research involving chemical mechanism with design, synthesis, and assembly of materials with targeted functionally were combined with advanced additive manufacturing techniques towards development of enhanced CO 2 capture reactors that can lead to safe, reliable, and low-cost carbon capture technologies. The objective of the project was to develop and test novel carbon capture materials and reactor components that contribute to increased CO 2 mass transfer through increased turbulent gas-liquid interface and improved solvent wetting within the absorber. A technoeconomic analysis (TEA) was completed showing how the proposed technology decreases capital costs by reducing the size of the absorber column and the amount of packing required for high CO 2 capture rates. A technology maturation plan (TMP) was also developed to describe the current technology readiness levels (TRL) and outline additional research and development (R&D) needed to further develop these advanced components for NGCC CO 2 capture plants. The successful completion of this project has shown a pathway to reduce the absorber size and associated construction costs of post-combustion NGCC CO 2 capture systems at 97% capture and promote the utilization of abundant natural gas for production of reliable electricity.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Multilayer interface tracking model of pure tungsten oxidation

Here, we present a numerical model to predict oxide scale growth on tungsten surfaces under exposure to oxygen at high temperatures. The model captures the formation of four thermodynamically-compatible oxide sublayers, WO 2 , WO 2.72 , WO 2.9 , and WO 3 , on top of the metal substrate. Oxide layer growth is simulated by tracking the oxide/oxide and oxide/metal interfaces using a sharp-interface Stefan model coupled to diffusion kinetics. The model is parameterized using selected experimental measurements and electronic structure calculations of the diffusivities of all the oxide subphases involved. We simulate oxide growth at temperatures of 600°C and above, extracting the power law growth exponents in each case, which we find to deviate from classical parabolic growth in several cases. We conduct a comparison of the model predictions with an extensive experimental data set, with reasonable agreement at most temperatures. While many gaps in our understanding still exist, this work is a first attempt at embedding the thermodynamic and kinetic complexity of tungsten oxide growth into a comprehensive mesoscale kinetic model that attempts to capture the essential features of tungsten oxidation to fill existing knowledge gaps and guide and enhance future tungsten oxidation models.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ionic liquids for carbon capture

This article covers cutting-edge research in ionic liquid-based materials and their impact on carbon capture. Ionic liquids boast high thermal stability, low vapor pressure, and great tunability. They can be deployed as either sorbents or supported liquid membranes for carbon capture and other gas separations. Absorption of CO 2 in ionic liquids can be achieved via physisorption or chemisorption, depending on the strength of the interaction. For physisorption, both CO 2 -anion and cation–anion interactions are important factors in dictating CO 2 solubility. For chemisorption, the reactivity with CO 2 can be tuned by the basicity of the anion while the stability of the ionic liquid can be enhanced by controlling the cation. Marrying ionicity of ionic liquids with porosity leads to novel porous ionic liquids that feature unique properties for facilitating gas transport, while interfacing ionic liquids with microporous membranes allow the ions to gate the pores for selective gas transport. Further, composite materials of ionic liquids with crystalline materials such as metal–organic frameworks offer scalable heterogeneous interfaces to promote selectivity. Future opportunities include controlling the interaction with CO 2 and its transport at the charged or electrified interface with the ionic-liquid electric double layer, as well as combining CO 2 capture and conversion with ionic liquids.

36 MATERIALS SCIENCE↗
NASA NTRS1992

CCD data acquisition systems at Lick and Keck Observatories

This paper will describe and compare two distinct but related CCD data acquisition systems (DAS) currently under development at Lick and Keck Observatories. Although these two systems have a number of major architectural differences, they share a considerable amount of common hardware and software. Both of these new systems build on a large body of proven software that is the foundation of the existing CCD DAS currently in use at Lick Observatory. Both will provide support for reading up to four on-chip amplifiers per CCD and/or reading out mosaics of CCD chips. In addition, they will provide the capability for interactive, real-time adjustment of CCD waveforms for engineering purposes. Each of these two systems is composed of three major subsystems: (1) an instrument computer and its software; (2) a data capture computer and its software; and (3) a CCD/dewar controller and its software. The instrument computer is a Unix workstation, and the functions it provides include user interfaces, the interactive real-time display of CCD images, and the recording of image and FITS header data to disk and/or tape. The data capture computer is responsible for the packaging and high-speed transfer of the CCD pixel data stream into a bulk RAM, and the subsequent transfer of this data to the instrument computer. The CCD/dewar controller generates the waveforms for clocking the CCD, digitizes the pixel data, and transmits it via high-speed link to the data capture computer. It is also responsible for monitoring and controlling the dewar temperature and cryogen levels. Given the number of different types of processors and high-speed data links employed in both systems, a major emphasis of this paper will be on the various forms of interprocessor communications utilized for data transfer and distributed process synchronization.

Kibrick, R. I.↗
DOE OSTI2026

Optimization of Random Phase Approximation Calculations for Improved Energies of Molecules, Solids, and Surfaces

We present an optimized random phase approximation method (optRPA26) that significantly improves upon conventional RPA through an optimized choice of reference orbitals and energy components, rather than a modification of the RPA correlation functional itself. The method employs an empirically constructed hybrid functional to generate DFT orbitals to evaluate the RPA correlation energy, which is then scaled by a constant. Comprehensive benchmarks across molecules, bulk solids, and surface systems demonstrate that optRPA26 consistently achieves high accuracy, with mean absolute errors of 0.05 eV for W4-11-RE reaction energies, 0.07 eV for cohesive energies, 0.09 eV for metal oxide formation energies, 0.11–0.12 eV for adsorption of small molecules on metals, and 0.06 eV for adsorption on oxides. In addition, optRPA26 correctly captures phase stability in metal oxides and magnetic metals. The optRPA26 approach can be run using standard RPA implementations, highlighting its potential as a general-purpose reference method that can accurately capture covalent, ionic, metallic, and van der Waals bonding in molecules, solids, and interfaces.

Adsorption↗
DOE OSTI2020

X-ray and Neutron Reflectivity Studies of Styrene-Maleic Acid Copolymer Interactions with Galactolipid-Containing Monolayers

Styrene-maleic acid (SMA) copolymers have recently gained attention for their ability to facilitate the detergent-free solubilization of membrane protein complexes and their native boundary lipids into polymer-encapsulated, nanosized lipid particles, referred to as SMALPs. However, the interfacial interactions between SMA and lipids, which dictate the mechanism, efficiency, and selectivity of lipid and membrane protein extraction, are barely understood. Our recent finding has shown that SMA 1440, a chemical derivative of the SMA family with a functionalized butoxyethanol group, was most active in galactolipid-rich membranes, as opposed to phospholipid membranes. In the present work, we have performed X-ray reflectometry (XRR) and neutron reflectometry (NR) on the lipid monolayers at the liquid–air interface followed by the SMA copolymer adsorption. XRR and Langmuir Π–A isotherms captured the fluidifying effect of galactolipids, which allowed SMA copolymers to infiltrate easily into the lipid membranes. NR results revealed the detailed structural arrangement of SMA 1440 copolymers within the membranes and highlighted the partition of butoxyethanol group into the lipid tail region. In conclusion, this work allows us to propose a possible mechanism for the membrane solubilization by SMA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Pseudomonas aeruginosa Dps (PA0962) Functions in H 2 O 2 Mediated Oxidative Stress Defense and Exhibits In Vitro DNA Cleaving Activity

We report the structural, biochemical, and functional characterization of the product of gene PA0962 from Pseudomonas aeruginosa PAO1. The protein, termed Pa Dps, adopts the Dps subunit fold and oligomerizes into a nearly spherical 12-mer quaternary structure at pH 6.0 or in the presence of divalent cations at neutral pH and above. The 12-Mer Pa Dps contains two di-iron centers at the interface of each subunit dimer, coordinated by conserved His, Glu, and Asp residues. In vitro, the di-iron centers catalyze the oxidation of Fe 2+ utilizing H 2 O 2 (not O 2 ) as an oxidant, suggesting Pa Dps functions to aid P. aeruginosa to survive H 2 O 2 -mediated oxidative stress. In agreement, a P. aeruginosa Δdps mutant is significantly more susceptible to H 2 O 2 than the parent strain. The Pa Dps structure harbors a novel network of Tyr residues at the interface of each subunit dimer between the two di-iron centers, which captures radicals generated during Fe 2+ oxidation at the ferroxidase centers and forms di-tyrosine linkages, thus effectively trapping the radicals within the Dps shell. Surprisingly, incubating Pa Dps and DNA revealed unprecedented DNA cleaving activity that is independent of H 2 O 2 or O 2 but requires divalent cations and 12-mer Pa Dps.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1973

Space shuttle/payload interface analysis (study 2.4). Volume 1: Executive summary

The space shuttle/payload interface analysis is presented. The analysis consists of the following sections: (1) payload capture and cost analysis, (2) business risk and value of operations in space analysis, and (3) payload community analysis. The primary objective of the study was to furnish a method for tracing capture/cost analyses conducted by other study groups.

Pritchard, E. I.↗
NASA NTRS1994

On the dynamics of a shock-bubble interaction

We present a detailed numerical study of the interaction of a weak shock wave with an isolated cylindrical gas inhomogenity. Such interactions have been studied experimentally in an attempt to elucidate the mechanisms whereby shock waves propagating through random media enhance mixing. Our study concentrates on the early phases of the interaction process which are dominated by repeated refractions of acoustic fronts at the bubble interface. Specifically, we have reproduced two of the experiments performed by Haas and Sturtevant : M(sub s) = 1.22 planar shock wave, moving through air, impinges on a cylindrical bubble which contains either helium or Refrigerant 22. These flows are modelled using the two-dimensional, compressible Euler equations for a two component fluid (air-helium or air-Refrigerant 22). Although simulations of shock wave phenomena are now fairly commonplace, they are mostly restricted to single component flows. Unfortunately, multi-component extensions of successful single component schemes often suffer from spurious oscillations which are generated at material interfaces. Here we avoid such problems by employing a novel, nonconservative shock-capturing scheme. In addition, we have utilized a sophisticated adaptive mesh refinement algorithm which enables extremely high resolution simulations to be performed relatively cheaply. Thus we have been able to reproduce numerically all the intricate mechanisms that were observed experimentally (e.g., transitions from regular to irregular refraction, cusp formation and shock wave focusing, multi-shock and Mach shock structures, jet formation, etc.), and we can now present an updated description for the dynamics of a shock-bubble interaction.

Quirk, James J.↗
NASA NTRS2002

Investigation of Body Force Effects on Flow Boiling Critical Heat Flux

The bubble coalescence and interfacial instabilities that are important to modeling critical heat flux (CHF) in reduced-gravity systems can be sensitive to even minute body forces. Understanding these complex phenomena is vital to the design and safe implementation of two-phase thermal management loops proposed for space and planetary-based thermal systems. While reduced gravity conditions cannot be accurately simulated in 1g ground-based experiments, such experiments can help isolate the effects of the various forces (body force, surface tension force and inertia) which influence flow boiling CHF. In this project, the effects of the component of body force perpendicular to a heated wall were examined by conducting 1g flow boiling experiments at different orientations. FC-72 liquid was boiled along one wall of a transparent rectangular flow channel that permitted photographic study of the vapor-liquid interface at conditions approaching CHF. High-speed video imaging was employed to capture dominant CHF mechanisms. Six different CHF regimes were identified: Wavy Vapor Layer, Pool Boiling, Stratification, Vapor Counterflow, Vapor Stagnation, and Separated Concurrent Vapor Flow. CHF showed great sensitivity to orientation for flow velocities below 0.2 m/s, where very small CHF values where measured, especially with downflow and downward-facing heated wall orientations. High flow velocities dampened the effects of orientation considerably. Figure I shows representative images for the different CHF regimes. The Wavy Vapor Layer regime was dominant for all high velocities and most orientations, while all other regimes were encountered at low velocities, in the downflow and/or downward-facing heated wall orientations. The Interfacial Lift-off model was modified to predict the effects of orientation on CHF for the dominant Wavy Vapor Layer regime. The photographic study captured a fairly continuous wavy vapor layer travelling along the heated wall while permitting liquid contact only in wetting fronts, located in the troughs of the interfacial waves. CHF commenced when wetting fronts near the outlet were lifted off the wall. The Interfacial Lift-off model is shown to be an effective tool for predicting the effects of body force on CHF at high velocities.

Zhang, Hui↗
NASA NTRS2021

Sailing Towards an Expressive Scheduling Language for Europa Clipper

The mission planners for NASA's Europa Clipper deep-space mission use automated scheduling software to generate activity plans and command sequences for multiple instruments and subsystems before sending the sequences for execution on board. Both science and engineering planners must translate their intents into expressions of mission constraints, goals, and preferences that the scheduling engine understands. This paper describes the ongoing development of a dedicated domain-specific java-embedded language that can efficiently and accurately capture such concerns for the Europa Clipper mission, along with a user-interface companion for the language.

Schaffer, Steve↗
NASA NTRSDate not supplied

Py MILab: Capturing, Analyzing and Storing Test Data

Integrated Computational Materials Engineering (ICME) has recently received widespread attention due to its promises in reducing dependence on physical testing for engineering design by relying on simulation, reducing both time and cost to market for various applications. ICME however requires validated multiscale material models, which is heavily dependent on available test data with full material and test pedigree, including material processing, test and measurement equipment, raw data collection, and analysis methodology and results. Populating searchable information management systems with such rich data sets is often burdensome for data producers, resulting in a lack of findable data for modelers to validate and verify their models. To overcome these cultural barriers to ICME, NASA has developed of various database-integration toolsets that perform both data management activities within the organization’s best practices with additional functionality that relieves the effort of the data producer and promotes adoption of information management system. One such tool currently under development is Py MILab, an automatic framework for automatic capturing, analysis, maintenance, and storage of material test data. Py MILab uses a modular approach for capturing raw data, analyzing the data, and storing the data in a database, interfaced by neutral file structures, to promote plug-and-play capabilities for various analysis types. TMAnalysis is a Python-based tool that performs automatic data reduction and analysis of uniaxial thermomechanical test data. The TMAnalysis toolset can be implemented within the Analysis module of Py MILab, and thus requires a populated neutral file form the Raw Data Module of Py MILab and outputs a Analysis neutral file compatible with the Database Module of Py MILab. TMAnalysis is able to perform automatic segmentation of multistage tests and perform data analysis and reduction, including determination of point-wise properties in tension, compression, and shear, analysis of stress relaxation tests, creep analysis and zone identification, and combination of these stage types for tests with complex loading histories. The TMAnalysis code is accompanied with a graphical user interface (GUI) that allows users to easily analyze test data in bulk, verify the automatic, consistent analysis performed by the backend code, and edit stage segmentation if necessary before producing the output neutral files, ensuring data is properly analyzed and maintained with full traceability.

Data management↗