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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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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

On an Extensive Late Hydrologic Event in Gale Crater as Indicated by Water‐Rich Fracture Halos

Abstract We analyze spatially pervasive, light‐toned “halos” associated with fractures in a sedimentary unit (Stimson) of Gale crater, Mars, and report a similar network of halos discovered in a separate geologic group (Bradbury). Through a dedicated active neutron measurement campaign, we provide independent confirmation of the water‐rich nature of these features. Together with mineralogical and geochemical data, these features are consistent with abundant hydrated amorphous silica (opal‐A). We suggest that the mineral and amorphous assemblages are indicative of formation under low‐temperature and predominantly low‐pH conditions (passive silica enrichment) with minor contribution of silica (active silica enrichment) from adjacent units. We show that there is significant amorphous silica in the array of sedimentary rocks in Gale crater, allowing them to play a role in an active silica enrichment phase of halo formation. We suggest that the involved alteration event was short lived and our finding of vast halo networks in a distant, older unit implies a more vast network of hydrologic subsurface conduits than previously known. This relatively recent subsurface hydrologic system was present long after the transition from a warm and wet to a cold and dry Martian environment, extending the habitability conditions on Mars to an epoch that is generally considered not favorable for life on the surface. Finally, our bulk H quantification of these features, which ranges from ∼3–6 wt% H 2 O‐equivalent‐H, suggests that the amorphous material in halos hosts ample supplies of readily released water, making them a considerable resource at the otherwise dry Martian equator.

Gabriel, Travis S. J.↗
DOE OSTI2022

Layered supramolecular hydrogels from thioglycosides

Low molecular weight hydrogels are made of small molecules that aggregate via noncovalent interactions. Here, comprehensive characterization of the physical and chemical properties of hydrogels made from thioglycolipids of the disaccharides lactose and cellobiose with simple alkyl chains is reported. While thiolactoside hydrogels are robust, thiocellobioside gels are metastable, precipitating over time into fibrous crystals that can be entangled to create pseudo-hydrogels. Rheology confirms the viscoelastic solid nature of these hydrogels with storage moduli ranging from 10–600 kPa. Additionally, thiolactoside hydrogels are thixotropic which is a desirable property for many potential applications. Freeze-fracture electron microscopy of xerogels shows layers of stacked sheets that are entangled into networks. These structures are unique compared to the fibers or ribbons typically reported for hydrogels. Differential scanning calorimetry provides gel-to-liquid phase transition temperatures ranging from 30 to 80 °C. Prodan fluorescence spectroscopy allows assignment of phase transitions in the gels and other lyotropic phases of high concentration samples. Phase diagrams are estimated for all hydrogels at 1–10 wt% from 5 to ≥ 80 °C. In conclusion, these hydrogels represent a series of interesting materials with unique properties that make them attractive for numerous potential applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Closing the Loop between In Situ Stress Complexity and EGS Fracture Complexity

We present an agent-guided approach to CAD geometry decomposition that automates hex/hybrid meshing with graph neural networks (GNNs) to accelerate next-generation ModSim workflows. Our end-to-end pipeline (i) reduces 3D boundary-representation (B-Rep) models to a 2D chordal axis skeleton (CAT) and then to a 1D bipartite graph of surface and curve nodes, (ii) assigns per node labels as Cubit® WebCut actions, (iii) trains a multi-action GNN under supervised learning, and (iv) predicts five surface-node and three curve-node actions on out-of-distribution test geometries. Each graph node carries geometric, topological, and meshing attributes drawn from the B-Rep “skin” and CAT “skeleton,” with two-way mappings across 3D↔2D↔1D representations to maintain traceability back to 3D CAD. The supervised learning model exhibits stable convergence of the binary cross-entropy loss and achieves 98.7% accuracy on unseen lattice models. To operationalize decision-making, we rank predicted commands by geometric significance and prototyped the agent-guided workflow through the Cubit® Meshing PowerTool GUI. As a stretch goal, we explore reinforcement learning (RL) to reduce or remove label requirements and to learn policies for action sequences that maximize total reward (e.g., size of hex-meshable regions and resulting hex mesh quality). When all-hex meshing is not feasible, the agent assists in producing hybrid meshes—prioritizing hex in critical regions and transitioning to tetrahedral elements (tets) elsewhere—maintaining fidelity while ensuring robustness. The overarching objective is to replace manual, heuristics-based decomposition with data-driven, reproducible automation, cutting meshing turnaround time by orders of magnitude. We anticipate direct impact on simulation workflows through intelligent, scalable decomposition of complex CAD models into hex-meshable subdomains.

42 ENGINEERING↗
DOE OSTI2023

Deformation and Fracture Behavior of Additively Manufactured 316L Stainless Steel

Tensile deformation and fracture behavior of an additively manufactured (AM) 316L stainless steel (SS) in the as-built, stress-relieved, and solution-annealed conditions was investigated using in situ tensile testing in a scanning electron microscope with an electron back scattering diffraction (SEM–EBSD) detector. Analyses were performed to discuss the characteristic deformation and fracture process of the fine-grained AM 316L SS with and without relaxation heat treatment. The as-built 316L showed the highest strength, and both post-build heat treatments lowered the strength of the alloy. Regardless of the post-build processing, the AM 316L SS showed overall higher strength but slightly lower ductility when compared to the wrought (WT) 316L SS. Analysis of EBSD data indicated that the characteristic microstructural features from AM, such as the complex and fine grain morphology, dislocation network, pores, and silicon-rich oxides, evolved and exerted various roles during the tensile deformation and fracture processes. Further, it was obvious that the interaction of dislocation slips with oxide particles and cavities (or pores) resulted in an accelerated cracking in AM 316L SS. Overall, however, their influence on mechanical behavior was limited, as the genuinely high ductility of 316L SS could help avoid any premature or brittle fracture.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Energy based fracture initiation criterion for strain-crystallizing rubber-like materials with pre-existing cracks

Fracture prediction is indispensable for polymers, like rubbers, which have a broad range of applications mainly due to their high extensibility. The phenomenon known as strain-induced crystallization further contributes to the fracture toughness of certain rubbers. Here in this study, a criterion based on internal bond energy, incorporating the effects of crystallization, is proposed to predict fracture initiation in rubber-like materials with pre-existing cracks. First, a multi-scale mechanical model is developed for characterizing the behavior of rubber when subjected to both uniaxial and biaxial deformation states. At the microscale, both the amorphous and crystalline chain segments are modeled as elastic in order to consider the energy contribution by the molecular bond distortions. This internal energy is considered along with the entropic and crystalline free energy for each chain. In the chain model, the effects of loading condition and the relative orientation of a chain on its crystallinity are taken into account. At the macroscopic scale, an existing crystallinity distribution function is adapted and a mixed finite element formulation with an augmented Lagrangian multiplier is utilized to impose the incompressibility constraint. A non-affine maximal advance path constraint based homogenization model is utilized for bridging the two scales. Its potential to account for anisotropy in the stretched network compels the model to be preferable due to its physical significance, for the purpose of fracture modeling. The rigidity of the crystallites is accounted for by proposing a crystallite distortion energy in addition to the critical bond dissociation energy, for fracture initiation to occur. The model is validated by comparison with existing experimental results for both crystallizing and non-crystallizing rubbers. In addition to its potential to predict the material behavior when subjected to uniaxial and biaxial loading, the capability of the model to quantitatively estimate the effect of crystallization on fracture initiation is also verified.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Influence of oxygen on performance of multi-principal element alloy as braze filler for Ni-base alloys

In manufacturing of multi-principal element alloys (MPEAs), the casting process is often a primary point of oxygen introduction to the material system, which was demonstrated by the laboratory scale button arc-melting process. Oxygen introduction raises concerns for the mechanical performance of these alloys if employed as structural materials alone or in engineering applications, such as serving as filler materials to enable joining of similar or dissimilar alloy pairs that are conventionally considered difficult to join. In this work, oxide inclusions in an as-cast off-equiatomic MnFeCoNiCu MPEA and Ni-base alloy braze joints made with this MPEA were evaluated by synchrotron x-ray diffraction mapping and electron microscopy. MnO was found to be prevalent throughout the cast MPEA and was chemically reduced during brazing by trace Al from the base material, Ni-base Alloy 600. Incomplete reaction of the MnO with Al, and some alternative reaction with Cr, left a mixture of MnO, Al 2 O 3 , and Cr 2 O 3 in the as-brazed joint, with the oxides concentrated near the braze centerline due to directional solidification. Further, in the braze joints, the non-oxide constituent phases detected were an FCC matrix and particles of Cr 23 C 6 , Cr 7 C 3 , and TiN which are all native to Alloy 600. The evolution of oxides within the brazed joints at elevated service temperatures of 600-800°C was also evaluated. While MnO and Al 2 O 3 were stable during high-temperature service, Cr 2 O 3 particles grew to several hundred microns, with dissolved oxygen in the MPEA providing a significant source for oxide growth. Comparing tensile performance of the as-brazed condition with post-service conditions showed that the evolution of oxide particles contributed to an increase in strength and decrease in ductility of the brazed joints. Evaluating particle morphologies among fracture surfaces of individual specimens demonstrated that large Cr 2 O 3 particles and continuous cluster networks of Al 2 O 3 were the features most detrimental to total elongation. Hence, unmitigated evolution of oxygen-containing species during brazing and service conditions is detrimental to the ductility of the brazed joints, which highlights the importance of oxygen control in initial manufacturing of MPEAs for engineering applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Numerical study of the effect of propped surface area and fracture conductivity on shale gas production: Application for multi-size proppant pumping schedule design

Hydraulic fracturing is a technique extensively used in the oil and gas industry, where water, proppant (sand) and additives are injected into unconventional reservoirs to enhance the recovery of shale hydrocarbon. Although some previous studies have developed pumping schedules that maximize gas production for a single-size proppant, there are very few studies that consider the effect of varying proppant diameters across pumping stages on shale gas production. Motivated by this, we carried out an extensive sensitivity analysis to determine the effect of different proppant diameters on the average fracture conductivity (FC), average propped surface area (PSA) and cumulative shale gas production volume. We found out that the cumulative shale gas production volume depends on both the average PSA and average FC. We also found out that small-diameter proppant resulted in higher average PSA and lower average FC, whereas large-diameter proppant resulted in lower average PSA and higher average FC. Hence, we designed a multi-size proppant pumping schedule considering both of these parameters into account for simultaneously propagating multiple fractures to maximize shale gas production from unconventional reservoirs. Since the size of injected proppant particles determines the average PSA and average FC for the propped hydraulic fractures, we developed a novel framework called Sequentially Interlinked Modeling Structure (SIMS) to predict the average PSA, average FC and cumulative shale gas production volume at the end of 10 years for a given pumping schedule. Then, we used this SIMS framework to obtain a multi-size proppant pumping schedule that maximizes shale gas production. In closing, we demonstrated that the obtained pumping schedule gives a cumulative shale gas production volume greater than the values obtained from the existing pumping schedules.

03 NATURAL GAS↗
DOE OSTI2020

A Dual Approach in Direct Ink Writing of Thermally Cured Shape Memory Rubber Toughened Epoxy

Bisphenol A-based epoxies are much used in a wide range of composite and coating applications due to their excellent thermomechanical properties. However, their 3D printability remains a challenge with most reported materials suffering from high brittleness and low toughness. In this work, we have described especially modified epoxy resins that enable 3D printing with both fast and slow curing rates. These materials exhibit greatly enhanced toughness, tunable thermomechanical properties, and excellent shape memory behavior. Two different printing systems, including a two-part static mixing printhead and a single extrusion printhead, were developed for fast- and slow-curing epoxies, respectively. The rheology of inks in both systems has been modified into printable thixotropic fluids with the aid of silica nanoparticles and other additives. Epoxide-functionalized telechelic polybutadiene was added into the resins, which are then introduced inside the epoxy network after cross-linking. The addition of polybutadiene rubber significantly improves the toughness (over 135%), fracture strain (over 200%), and shape memory behavior. By adding different amounts of the rubber telechelic, thermomechanical properties, including modulus, elongation, and Tg of epoxy, can be well controlled in a wide range to satisfy different applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Combining Through-Thickness Reinforcement and Self-Healing for Improved Damage Tolerance and Durability of Composites

A study was undertaken to develop a prototype method for adding through-thickness hollow glass tubes infused with uncured resin and hardener in a carbon Z-pin through-thickness reinforcement field embedded in a composite laminate. Two types of tube insertion techniques were attempted in an effort to ensure the glass tubes survived the panel manufacturing process. A self-healing resin was chosen with a very low viscosity, two component, liquid epoxy resin system designed to be mixed at a 2-to-1 ratio of epoxy to hardener. IM7/8552 carbon epoxy double cantilever beam (DCB) specimens were cut from the hybrid Z-pin and glass tube reinforced panels and tested. In-situ injection of resin and hardener directly into glass tubes, in a staggered pattern to allow for 2-to-1 ratio mixing, resulted in partial healing of the fracture plane, but only if the injection was performed while the specimen was held at maximum load after initial fracture. Hence, there is some potential for healing delamination via resin and hardener delivered through a network of through-thickness glass tubes, but only if the tubes are connected to a reservoir where additional material may be injected as needed.

O'Brien, T. Kevin↗
DOE OSTI2024

Learning nonlinear operators in latent spaces for real-time predictions of complex dynamics in physical systems

Abstract Predicting complex dynamics in physical applications governed by partial differential equations in real-time is nearly impossible with traditional numerical simulations due to high computational cost. Neural operators offer a solution by approximating mappings between infinite-dimensional Banach spaces, yet their performance degrades with system size and complexity. We propose an approach for learning neural operators in latent spaces, facilitating real-time predictions for highly nonlinear and multiscale systems on high-dimensional domains. Our method utilizes the deep operator network architecture on a low-dimensional latent space to efficiently approximate underlying operators. Demonstrations on material fracture, fluid flow prediction, and climate modeling highlight superior prediction accuracy and computational efficiency compared to existing methods. Notably, our approach enables approximating large-scale atmospheric flows with millions of degrees, enhancing weather and climate forecasts. Here we show that the proposed approach enables real-time predictions that can facilitate decision-making for a wide range of applications in science and engineering.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Dynamic fracture of glass fiber-reinforced ductile polymer matrix composites and loading rate effect

Here, the dynamic fracture of S-2 glass fiber-reinforced polymer matrix composites (FRPMCs) was investigated in this study. The matrix ductility was improved by a recently developed network topology modification technique via mixing partially reacted substructures (mPRS). The composite material was manufactured and characterized by micro-CT scanning and scanning electron microscopy (SEM). Dynamic single-edge notched bending (d-SENB) experiments were performed on the composites by using a modified split-Hopkinson pressure bar. Each specimen’s fracture process was visualized by ultrafast X-ray imaging. Such in-situ radiography enabled identifying the damage initiation below 50-micron scale and inspecting its propagation through the internal structures of opaque composites, thereby accurately quantifying the composites’ mechanical properties. Furthermore, the identical d-SENB experiments were designed and the digital image correlation (DIC) was employed to monitor the stress wave propagation on the composite specimens. The force and deflection measurements were modified and correlated to the physical damage processes. Besides, quasi-static SENB experiments were conducted to identify the loading rate effects on the composites’ fracture behaviors. The force and deflection history, bending stiffness, energy dissipation, and fracture toughness at different loading rates were quantified and compared. Finally, post-fracture analysis by micro-CT scanning and SEM provided physical observations on the variation of the fracture morphology by different loading rates.

42 ENGINEERING↗
DOE OSTI2022

Directional Cooling-Induced Fracturing: Directional Cooling Data Under True-Triaxial Stress State

Data includes Directional Cooling-Induced Fracturing (DCIF) testing data using westerly granite blocks. This submission includes data from two samples of westerly granite, lab sample 7 and 8. Files contain stress, temperature and acoustic emission data acquired during polyaxial, laboratory testing of westerly granite blocks for each sample. FILES: .tradb -- files containing acoustic emission waveforms; sqlite3 database .pridb -- files containing basic acoustic emission information (no waveforms); sqlite3 database .geom -- geometry of the AE sensor network (ASCII)

15 GEOTHERMAL ENERGY↗
NASA NTRS1975

Results of Skylab investigation over Italy

The author has identified the following significant results. Multispectral high resolution photography of S190A was successfully applied to the detection of paleoriverbeds in flat lands. Results of SL-3 mission were compared to those of LANDSAT for two regional geological surveys (linear structures) on the islands of Sicily and Sardinia. On Sicily, the seasonal conditions were unfavorable for Skylab while LANDSAT played a major role in discovering long, unknown lineaments of great interest for the geodynamics of the area. On Sardinia, owing to the vegetation type and to the geomorphic conditions, the Skylab imagery was successfully employed to describe the network of linears, both regional and local. Results can be used to study the relationship between linears, actual fracturing and the occurrence of mineral deposits.

Cassinis, R.↗
DOE OSTI2025

Graph neural networks for mechanical property prediction of 2D fiber composites

This work investigates the ability of graph neural networks (GNNs) to homogenize 2D fiber composite microstructures. We use different inhomogeneity and anisotropy indices to motivate and show that the Volume Elements (VEs) used in ML methods should ideally be far from their Representative Volume Element (RVE) size limit and, consequently, are notably anisotropic. Hence, training only the isotropic limit properties may not be acceptable. Another aspect is the need to normalize elastic stiffness values for ML, especially when high elastic contrast ratios are encountered between composite phases or in the material set. We introduce a normalization technique based on the mean-field method (MFM) to handle such high contrast ratios and train for the entire stiffness tensor. We show that the proposed GNN approaches exhibit high accuracy and efficiency compared to traditional methods and convolutional neural networks, utilizing unstructured graphs constructed from microstructure topology. Our model successfully predicts the stiffness tensor, peak strength under bulk damage, and brittle fracture initiation strength across diverse microstructure configurations while maintaining high accuracy even for extreme material contrasts and volume fractions. We also present a method to improve prediction accuracy for small dataset sizes using Voronoi partitioning.

Brittle strength↗
DOE OSTI2025

pH-SWITCHABLE DYNAMIC BINARY COMPLEXES AS VISCOSITY MODIFYING AGENTS

The study of supramolecular structures has been gaining a lot of momentum in recent years due to their potential application in several interesting areas such as medicine, catalysis, energy, oil and gas, etc. Hydraulic fracturing is one area where the ongoing demand for novel viscosity modifiers has prompted researchers to explore various facets of chemistry. In this study, a dynamic binary complex (DBC) solution is presented, with the potential to be useful in the hydraulic fracturing domain. It has a supramolecular structure that is formed by the self-assembly of oleic acid and diethylenetriamine into an elongated network under alkaline conditions. With less than 2 wt% of constituents in aqueous solution, a viscous gel that exhibits high viscosities even under shear was formed. It was sensitive to pH and salinity, and its zero-shear viscosity could be tuned by a factor of ~280 by changing the pH. Furthermore, its viscous properties were pronounced in the presence of salt. Sand settling tests revealed its potential to hold up sand particles for extended periods of time, longer than 24 hours. In conclusion, this DBC solution system has potential to be utilized as a smart pH-switchable hydraulic fracturing fluid that can be prepared using seawater.

02 PETROLEUM↗
DOE OSTI2020

The use of seismic spatial gradients in a single layer neural network for seismic source discrimination: proof of concept

This report describes a proof-of-concept method of seismic source discrimination using seismic gradiometry and a common machine learning technique. The tests described here are purely numerical, using synthetic seismic data and well understood mathematical techniques. The primary innovation described here is the application of a richer seismic data set derived from seismic gradiometry. Seismic gradiometry is a method to estimate the time variable spatial gradient of the wavefield to compute various wavefield attributes such as slowness, dynamic strain, and rotational motions. With the addition of these wavefield attributes, we are afforded up to twenty "compo- nents" of time series data measured at a single point on, or in, the Earth. This is in direct contrast to conventional three-component seismic data collected at several locations using a seismic network. Using the gradiometrically-derived wavefield components directly in a single-layer neural network, I show that it is possible to discriminate between three common seismic source types (earthquakes, explosions, and opening fractures) for various noise conditions and gradiometry configurations.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS2005

A Preliminary Investigation of the E-Beam Induced Polymerization of Maleimide and Norbornene End-capped Polyimides

A research area of high activity in connection with aerospace engineering has been the development of polymer thermosetting resins that can resist temperature as high as 300 C while maintaining adequate toughness, and providing ease of processing to enable low temperature and low cost composite fabrication methods. In order to meet such requirements, sequential interpenetrating polymer networks (IPNs) based on bismaleimide (BMI) and cyanate ester (CE) monomers were investigated. In these systems, a polycyanurate network is first formed in the presence of BMI and appropriate reactive diluent monomers and in a second step, a network based on the BMI is created in the presence of a fully formed polycyanurate network. The materials developed can be processed at relatively low temperature (less than 150 C) and with the aid of electron beam (EB) curing. Of major importance to the success of this work was the identification of a reactive diluent that improves ease of processing and has tailored reactivity to allow for the controlled synthesis of CE-BMI sequential IPNs. Based on solubility and reactivity of a number of reactive diluents, N-acryloylmorpholine (AMP) was selected as a comonomer for BMI copolymerization. A donor-acceptoreaction mechanism was suggested to explain the relative reactivity of a variety of reactive diluents towards maleimide functionality. The optimum processing parameters for the formation of the first network were determined through the study of metal catalyzed cure and hydrolysis of cyanate esters, whereas the reaction behavior for second network formation in terms of the influence of EB dose rate and temperature was elucidated through an in-situ kinetics study of maleimide and AMP copolymerization. Structure-property relationships were developed which allowed for the design of improved resin systems. In particular, appropriate network coupler possessing cyanate ester and maleimide functionality was synthesized to link the polycyanurate first network to the BMI/AMP second network and thus form linked sequential IPNs (LIPNs). Consequently, Tg as high as 370 C was achieved and a fracture toughness of 120 Joules per square meters was obtained for resin systems that possess adequately low viscosity for processing using liquid molding techniques at low temperature.

Palmese, Giuseppe R.↗
DOE OSTI2021

Mechanical Behavior of Hybrids with Hyper-Connected Molecular Networks

Our research is focused on fundamental studies related to the molecular design, synthesis, characterization and modeling of molecular-reinforced hybrid glass films for superior mechanical and fracture properties. Molecular-reinforced hybrid glass films exhibit unique electro-optical properties while maintaining excellent thermal stability. They have important technological application for emerging nanoscience and energy technologies including anti-reflective and ultra-barrier layers in photovoltaics, display technologies, as well as quantum technologies. However, they are often inherently brittle in nature, do not adhere well to adjacent substrates, and exhibit poor mechanical properties. Furthermore, a robust understanding of the underlying mechanisms of deformation, fracture and fatigue has been lacking particularly given their mechanically fragile nature. The related lack of structure-property relationships between molecular structure, mechanical properties and processing represents a fundamental challenge to their integration into device technologies, compromises their thermomechanical reliability and has thwarted efforts to improve mechanical and, particularly, fracture properties.

36 MATERIALS SCIENCE↗