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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Evolution of creep-fatigue life prediction models

The evolution of high-temperature, creep-fatigue, life-prediction methods used for cyclic crack initiation is traced from inception in the late 1940s. The methods reviewed are material models as opposed to structural life prediction models. Material life models are used by both structural durability analysts and by material scientists. The latter use micromechanistic models as guidance to improve a material's crack initiation resistance. Nearly one hundred approaches and their variations have been proposed to date. This proliferation poses a problem in deciding which method is most appropriate for a given application. Approaches have been identified as being combinations of fourteen different classifications. This review is intended to aid both developers and users of high-temperature fatigue life prediction methods by providing a background from which choices can be made.

Halford, Gary R.↗
NASA NTRS1993

Brief summary of the evolution of high-temperature creep-fatigue life prediction models for crack initiation

The evolution of high-temperature, creep-fatigue, life-prediction methods used for cyclic crack initiation is traced from inception in the late 1940's. The methods reviewed are material models as opposed to structural life prediction models. Material life models are used by both structural durability analysts and by material scientists. The latter use micromechanistic models as guidance to improve a material's crack initiation resistance. Nearly one hundred approaches and their variations have been proposed to date. This proliferation poses a problem in deciding which method is most appropriate for a given application. Approaches were identified as being combinations of thirteen different classifications. This review is intended to aid both developers and users of high-temperature fatigue life prediction methods by providing a background from which choices can be made. The need for high-temperature, fatigue-life prediction methods followed immediately on the heels of the development of large, costly, high-technology industrial and aerospace equipment immediately following the second world war. Major advances were made in the design and manufacture of high-temperature, high-pressure boilers and steam turbines, nuclear reactors, high-temperature forming dies, high-performance poppet valves, aeronautical gas turbine engines, reusable rocket engines, etc. These advances could no longer be accomplished simply by trial and error using the 'build-em and bust-em' approach. Development lead times were too great and costs too prohibitive to retain such an approach. Analytic assessments of anticipated performance, cost, and durability were introduced to cut costs and shorten lead times. The analytic tools were quite primitive at first and out of necessity evolved in parallel with hardware development. After forty years more descriptive, more accurate, and more efficient analytic tools are being developed. These include thermal-structural finite element and boundary element analyses, advanced constitutive stress-strain-temperature-time relations, and creep-fatigue-environmental models for crack initiation and propagation. The high-temperature durability methods that have evolved for calculating high-temperature fatigue crack initiation lives of structural engineering materials are addressed. Only a few of the methods were refined to the point of being directly useable in design. Recently, two of the methods were transcribed into computer software for use with personal computers.

Halford, Gary R.↗
NASA NTRS2020

AERoBOND Project Summary

Under NASA’s Convergent Aeronautics Solutions (CAS) project, the Adhesive-Free Bonding of Complex Composites (AERoBOND) project investigated off-stoichiometric epoxy polymers for fast, reliable assembly of epoxy matrix composite structures. The project goal was to demonstrate feasibility of the AERoBOND joining method by demonstrating mechanical properties greater than 80% of conventional co-cured materials while reducing structure weight by 1%. The project consisted of three convergent research areas: material and process development, systems analysis, and material and process modeling. Material and process development was the largest component of AERoBOND with approximately 6 FTE and 1WYE of support to formulate and characterize new resins, prepare carbon fiber prepregs, fabricate laminates, measure mechanical properties, analyze failure results, and select material and process improvements. The systems analysis activity estimated the potential reduction in part count and aircraft weight by comparing models of composite wing boxes with no fasteners (co-cured structure), fasteners in major joints (co-cured stringers), and fasteners in all joints. The materials and process modeling activity included a molecular model of the AERoBOND materials system to predict mechanical properties of resins with offset stoichiometry and a process model to predict the effect of resin formulation and processing conditions on the extent of mixing and degree of cure in a finished joint. As the number of airline passenger trips doubles in the next 20 years (IATA/Tourism Economics Air Passenger Forecasts, April 2019), the increased demand for new commercial aircraft is now the single greatest technical challenge to the airframe manufacturing industry. To meet efficiency requirements, new aircraft must be fabricated primarily from high performance structural composites, but manufacturing processes are inherently slow with the largest bottleneck attributed to assembly and installation of fasteners (NASA/TM–2019-220428). Manufactures of commercial transport aircraft are compelled to install more than 100,000 redundant fasteners into bonded joints to prevent failures due to unpredictable weak bonds. In structural adhesive bonds, the interface between adherend and adhesive is nearly two-dimensional making it susceptible to minute quantities of contamination, which can cause weak bonds. Currently, bond strength assessment is only possible through destructive testing (i.e., breaking the joint). For these reasons, regulatory organizations such as the Federal Aviation Administration (FAA) often require redundant load paths in secondary-bonded, primary-structures to alleviate concerns with bond performance. The AERoBOND process enables reflow of matrix resin during assembly to eliminate the material discontinuity at the interface, thereby eliminating the dependence of mechanical performance on interfacial adhesion. The AERoBOND joint is equivalent to the interlaminar region obtained during a co-cure process, so joint performance depends on the cohesive properties of the matrix resin. Conventional co-cured structures, although too costly and complex for large-scale manufacturing, are trusted by manufacturers and regulators, and are certified for flight with few or no redundant fasteners.Systems analysis performed on a composite wing model at the scale of a single-aisle commercial transport aircraft indicated that >20,000 redundant fasteners per wing could be eliminated by implementing the AERoBOND joining method. A total weight reduction of 15% was predicted in a wing box by eliminating fasteners and thinning components that must no longer support localized fastener loads and accommodate fastener dimensions. Interlaminar shear fracture toughness measured by the end-notched flexure test was greater than 1 kJ/m2 (nearly 140% of the co-cured benchmark property), which is greatly in excess of the project goals for mechanical properties. Testing was planned to measure interlaminar tensile fracture toughness as well as interlaminar tensile and shear strengths using the same AERoBOND configuration, but was delayed due to closure of LaRC facilities during the COVID-19 pandemic. The AERoBOND process model is partially validated and available for experimental use. It allows the user to input AERoBOND process parameters such as material composition, laminate configuration, and cure cycle to predict the final cure state of the AERoBOND joint. A preliminary, multi-scale material model was developed to predict AERoBOND joint mechanical properties (stiffness and strength) based on the cure state of the joint provided by the process model. The timing for transition of this technology within NASA is excellent as NASA initiates new enduring projects to address composites manufacturing rate challenges. AERoBOND technology is well suited to AAVP/AATT objectives for rapid manufacturing of a composite wing. A minimal effort (1 FTE/$15k procurement/0 WYE) is proposed in FY21 to continue a minor mechanical testing effort and maintain a SAA with ASX composites to develop commercial quality prepreg material. An RFI with the composites industry is suggested to quantify the technology gap between the current TRL and the TRL needed for transition to industry. A moderate effort [3-4 FTE/$150k/1 WYE (~$115k)] is proposed in FY22 for the “high rate composites manufacturing” project currently in planning. The partnership with ASX Composites will be expanded to produce material for sub-element/element-scale “panel-off” activities. Industry partnerships with airframe manufacturers is an expected component to explore damage tolerance and environmental stability. Further development of multi-scale modeling tools (process model, meso-scale model, and molecular model) is planned to enhance and deliver tools for rapid manufacturing infusion.

Frank Louis Palmieri↗
DOE OSTI2017

Modeling shockwaves and impact phenomena with Eulerian peridynamics

Most previous development of the peridynamic theory has assumed a Lagrangian formulation, in which the material model refers to an undeformed reference configuration. Here, an Eulerian form of material modeling is developed, in which bond forces depend only on the positions of material points in the deformed configuration. The formulation is consistent with the thermodynamic form of the peridynamic model and is derivable from a suitable expression for the free energy of a material. We show that the resulting formulation of peridynamic material models can be used to simulate strong shock waves and fluid response in which very large deformations make the Lagrangian form unsuitable. The Eulerian capability is demonstrated in numerical simulations of ejecta from a wavy free surface on a metal subjected to strong shock wave loading. The Eulerian and Lagrangian contributions to bond force can be combined in a single material model, allowing strength and fracture under tensile or shear loading to be modeled consistently with high compressive stresses. Furthermore, we demonstrate this capability in numerical simulation of bird strike against an aircraft, in which both tensile fracture and high pressure response are important.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Bond-associated deformation gradients for peridynamic correspondence model

Non-ordinary state-based peridynamic correspondence material model is known to have issues with material instability, i.e. the existence of zero-energy modes, due to non-unique mapping between deformation states and force states via the conventional peridynamic deformation gradient. In this paper, an alternative approach in which the deformation gradient hence force state are computed specifically for each individual bond is proposed to eliminate the material instability. Bond-associated deformation gradient is calculated based on deformation states of material points within an individual bond’s proximity, termed here as the bond-associated family, rather than a material point’s whole family. This bond-associated deformation gradient can better represent the force state of each individual bond from the deformation states of material points in its proximity, and hence inherently resolves issues of material instability in the conventional correspondence material model. Parametric study on bond-associated horizon size indicates that the optimal size should be no less than the material point’s horizon size but smaller than two times of that value. Comparisons against reference solutions using finite element method establish the validity and accuracy of the proposed formulation.

42 ENGINEERING↗
DOE OSTI2026

Prediction of Creep-Induced Strain Using a Symbolic Regression-Based Model

Material creep under high-temperature conditions limits the lifetime and safety of structural systems such as advanced nuclear reactors. Conventional creep testing is slow and often produces inconsistent results across nominally identical experiments, making lifetime prediction uncertain. Here, to address these challenges, this work develops a data-driven symbolic regression (SR) model that consolidates results from duplicate creep tests and predicts the remaining strain-time curve of an ongoing experiment. The method uses piece-wise multi-objective SR with physical constraints to generate analytic, interpretable functions describing transient creep strain. Applied to Inconel Alloy 617 data, the approach achieved relative mean absolute errors of 1.0–9.5%, providing closed-form predictions of strain evolution. These results demonstrate a first step toward reducing the duration and cost of long-term creep testing while retaining physically interpretable model forms.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1982

Reduction of solar cell efficiency by edge defects across the back-surface-field junction - A developed perimeter model

Material imperfections, impurity clusters and fabrication defects across the back-surface-field junction can degrade the performance of high-efficiency solar cells. The degradation from defects appearing on the circumference of a solar cell is analyzed using a two-region developed perimeter device model. The width of the defective perimeter region is characterized by the range or the distance-of-influence of the defective edge and this width is about two diffusion lengths. The defective edge is characterized by a surface recombination velocity. Family of theoretical curves and numerical examples are presented to show that significant reduction of open-circuit voltage can occur in high-efficiency cells which are thin compared with the diffusion length. In one example, the degradation is decreased from 135 mV to 75 mV when the cell size is increased from 10 to 100 times the diffusion length in a thin cell whose thickness is 1% of the diffusion length.

Sah, C. T.↗
DOE OSTI2023

A robust interface finite element formulation for modeling brittle material failure problems

Abstract Failure of many brittle materials and structures can be modeled using interface‐oriented finite elements combined with intrinsic cohesive zone models. The discontinuous Galerkin (DG) finite element method provides an innovative framework for modeling brittle crack propagation with zero‐thickness interface elements, which can accommodate extrinsic cohesive laws to avoid the artificial compliance required in intrinsic cohesive models. However, robust formulations and implementations of DG methods are critical in alleviating the well‐known convergence issues for both crack nucleation and propagation with reduced instability. This paper presents a robust interface element formulation by modifying the incomplete interior penalty Galerkin (IIPG) method, which successfully avoids the initial element interface penetration across elements that occurs prior to crack nucleation, and thereby greatly reduces the instability issue as cracks open. We further verified and validated our implementation by using a bar tension test and a beam fracturing benchmark. The robustness of our proposed interface element method was demonstrated by a micromechanics fiber/matrix debonding problem with 64 fibers embedded in a bulk matrix.

Liu, Ruijie↗
NASA NTRS2020

Quasi-Static and Dynamic Analysis of Composite Panels: Challenges in Engineering-Level Commercial Software

In engineering applications, where analysis time and efficiency are essential, analytical models and commercially available finite element (FE) material models are the two mainstream methods used to analyze composite crush scenarios. A reliable numerical model addressing the crushing response of composite materials requires a nonlinear progressive damage analysis which includes appropriate failure mechanisms such as matrix cracking, fragmentation, delamination, and fiber breakage. One might be able to address all these interacting failure responses through implementation/validation of a user defined material model or by utilization of a commercially available model, the latter being the most efficient engineering approach. In this paper, the quasi-static and dynamic crushing response of composite specimens, consisting of a C-channel and a corrugated geometry manufactured with carbon fiber/epoxy matrix fabric, are modeled using the progressive composite damage model within ABAQUS. The novel part of this work, which has not been previously addressed in the literature, is the utilization of a detailed parametric study to optimize composite damage model parameters for a given quasi-static crush simulation in ABAQUS. C-channel experiments were used to calibrate the model and then refine/optimize a set of material parameters that best fit the experimental results. These identical parameters were then used to simulate the crush response of the corrugated channel specimens, thereby making it a pure prediction and not a double recalibration. Next, the dynamic response of both panels were predicted, further confirming the predictive capability of the developed numerical model. The effect of parameter variation on the crush response is fully documented for future use in engineering applications utilizing this specific ABAQUS damage model.

Paria Naghipour↗
DOE OSTI2025

LAROMance Grade 91 Model Integration in NEML2

New reactor designs are targeting higher operating temperatures for increased thermal efficiency when compared to the current fleet of light water reactors. Designing structural components for these high temperature environments with reliable long-term operations requires material models that can accurately capture the deformation mechanisms active in these environments. The LAROMance surrogate material models are based on a database of mechanistic crystal plasticity simulations for high-temperature conditions. Inputs to the LAROMance models reflect the microstructural pedigree of the material, like dislocation densities and precipitate contents. Based on the evolution of these microstructural features, the LAROMance model provides the engineering scale constitutive model response. The LAROMance model was recently parameterized for Grade 91, a high temperature alloy. In the present work, the Grade 91 LAROMance model is implemented in the New Material Model Library, version 2 (NEML2). NEML2 provides a modular way to build material models from smaller blocks and was developed to vectorize the material update to efficiently run on modern computational architectures with graphics processing unit accelerators. NEML2 constitutive models can be used in simulations based on the multiphysics object-oriented simulation environment (MOOSE). This report provides details on the implementation of the Grade 91 LAROMance model in NEML2 and its verification of engineering scale finite element simulations in MOOSE.

42 - ENGINEERING↗
DOE OSTI2025

Experimental Results on SS 304H and 2.25Cr-1Mo in Support of Developing Inelastic Constitutive Models

To address critical data gaps necessary for updating viscoplastic constitutive material models for Class A materials used in inelastic design analysis under the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code, Section III, Division 5, High Temperature Reactors, Oak Ridge National Laboratory (ORNL) conducted experimental studies on stainless steel 304H (SS 304H) and 2¼Cr-1Mo steel (F22), to probe their temperature dependent deformation behaviors. These studies covered a range of temperatures up to the maximum limits specified in Division 5 and are intended to support the development of material models by collaborators at Argonne National Laboratory (ANL).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Microstructural changes and mass transport in cement-based materials: A modeling approach

Highlights: • Concept to relate microstructural changes, mass transport, and chemical reactions in cement-based materials is presented. • Multi-physics modeling approach utilizing an extended version of the PNP equation and the geochemical code IPHREEQC. • Case studies indicate significant changes in mass transport properties due to alterations in the microstructure. • Microstructural changes depend on exposure and interactions between chemical reactions, pore structure, and mass transport. A generic modeling framework is presented to relate microstructural changes, i.e. changes in the pore volume distribution and phase assemblage, and mass transport in cement-based materials. The modeling framework accounts for mass transport and chemical equilibrium between ions in the pore solution and solid hydrates by means of an extended version of the Poisson-Nernst-Planck equation, in which the chemical equilibrium is solved by the external geochemical code IPHREEQC. Results of numerical studies concerning carbonation and leaching of a cement-based material indicate significant changes in mass transport properties due to chemical reactions leading to alterations in the microstructure. The resulting highly non-linear (both spatial and temporal) microstructural changes are thereby depending on the exposure and indicate that interactions between chemical reactions, pore structure changes, and mass transport have to be accounted for as a whole.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Initial Investigation of Cryogenic Wind Tunnel Model Filler Materials

Filler materials are used for surface flaws, instrumentation grooves, and fastener holes in wind tunnel models. More stringent surface quality requirements and the more demanding test environment encountered by cryogenic wind tunnels eliminate filler materials such as polyester resins, plaster, and waxes used on conventional wind tunnel models. To provide a material data base for cryogenic models, various filler materials are investigated. Surface quality requirements and test temperature extremes require matching of coefficients of thermal expansion or interfacing materials. Microstrain versus temperature curves are generated for several candidate filler materials for comparison with cryogenically acceptable materials. Matches have been achieved for aluminum alloys and austenitic steels. Simulated model surfaces are filled with candidate filler materials to determine finishing characteristics, adhesion and stability when subjected to cryogenic cycling. Filler material systems are identified which meet requirements for usage with aluminum model components.

Firth, G. C.↗
DOE OSTI2025

Language models for materials discovery and sustainability: Progress, challenges, and opportunities

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI’s GPT-3.5/4 and the recent release of GPT-4.5, which have sparked a global surge of interest akin to an NLP gold rush. Here, in this article, we offer our perspective on the development and application of NLP and large language models (LLMs) in materials science. We begin by presenting an overview of recent advancements in NLP within the broader scientific landscape, with a particular focus on their relevance to materials science. Next, we examine how NLP can facilitate the understanding and design of novel materials and its potential integration with other methodologies. To highlight key challenges and opportunities, we delve into three specific topics: (i) the limitations of LLMs and their implications for materials science applications, (ii) the creation of a fully automated materials discovery pipeline, and (iii) the potential of GPT-like tools to synthesize existing knowledge and aid in the design of sustainable materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Commutative Algebra Modeling in Materials Science – A Case Study on Metal–Organic Frameworks (MOFs)

Metal-organic frameworks (MOFs) are a class of important crystalline and highly porous materials whose hierarchical geometry and chemistry hinder interpretable predictions in materials properties. Commutative algebra is a branch of abstract algebra that has been rarely applied in data and material sciences. We introduce the first ever commutative algebra modeling and prediction in materials science. Specifically, category-specific commutative algebra (CSCA) is proposed as a new framework for MOF representation and learning. It integrates element-based categorization with multiscale algebraic invariants to encode both local coordination motifs and global network organization of MOFs. These algebraically consistent, chemically aware representations enable compact, interpretable, and data efficient modeling of MOF properties such as Henry’s constants and uptake capacities for common gases. Compared to traditional geometric and graph-based approaches, CSCA achieves comparable or superior predictive accuracy while substantially improving interpretability and stability across data sets. By aligning commutative algebra with the chemical hierarchy, the CSCA establishes a rigorous and generalizable paradigm for understanding structure and property relationships in porous materials and provides a nonlinear algebra-based framework for data-driven material discovery.

Khaemba, Caleb S.↗
DOE OSTI2025

A direct-adjoint approach for material point model calibration with application to plasticity

Here, this paper proposes a new approach for the calibration of material parameters in local elastoplastic constitutive models. The calibration is posed as a constrained optimization problem, where the constitutive model evolution equations for a single material point serve as constraints. The objective function quantifies the mismatch between the stress predicted by the model and corresponding experimental measurements. To improve calibration efficiency, a novel direct-adjoint approach is presented to compute the Hessian of the objective function, which enables the use of second-order optimization algorithms. Automatic differentiation is used for gradient and Hessian computations. Two numerical examples are employed to validate the Hessian matrices and to demonstrate that the Newton–Raphson algorithm consistently outperforms gradient-based algorithms such as L-BFGS-B.

36 MATERIALS SCIENCE↗
NASA NTRS2008

Factors Influencing Progressive Failure Analysis Predictions for Laminated Composite Structure

Progressive failure material modeling methods used for structural analysis including failure initiation and material degradation are presented. Different failure initiation criteria and material degradation models are described that define progressive failure formulations. These progressive failure formulations are implemented in a user-defined material model for use with a nonlinear finite element analysis tool. The failure initiation criteria include the maximum stress criteria, maximum strain criteria, the Tsai-Wu failure polynomial, and the Hashin criteria. The material degradation model is based on the ply-discounting approach where the local material constitutive coefficients are degraded. Applications and extensions of the progressive failure analysis material model address two-dimensional plate and shell finite elements and three-dimensional solid finite elements. Implementation details are described in the present paper. Parametric studies for laminated composite structures are discussed to illustrate the features of the progressive failure modeling methods that have been implemented and to demonstrate their influence on progressive failure analysis predictions.

Knight, Norman F., Jr.↗
NASA NTRS1983

Space radiation interaction mechanisms in materials

Models of charged-particle impact under conditions typical of the space environment are reported, with a focus on impact excitation and nuclear reactions, especially for heavy ions. Impact excitation is studied by using a global model for electronic excitation based on formal relations through the classical dielectric function to derive an approximation related to the local plasma (electron density distribution) within the atoms and molecules; and corrections to the model resulting from the nonfluid nature of this plasma are discussed. Nuclear reactions are studied by reducing quantum-mechanical treatment of this general N-body problem to an equivalent two-body problem that is solvable, and by comparing the results with experimental data. The equations for heavy-charged-particle transport are derived and solution techniques demonstrated. Finally, these methods of analysis are applied to study the change in the electrical properties of a GaAs semiconductor for photovoltaic applications; proton damage to GaAs crystals is found to arise from stable replacement defects and to be nonannealable, in contrast to electron-induced damage.

Wilson, J. W.↗