Results for “Material Response Model” — Page 66

DOE OSTI2021

Validity of Machine Learning in the Quantitative Analysis of Complex Scanning Near-Field Optical Microscopy Signals Using Simulated Data

Scattering-type scanning near-field optical microscope (s-SNOM) is a modern technique for subdiffractional optical imaging and spectroscopy. Over the past two decades, tremendous efforts have been devoted to modeling complex tip-sample interactions in s-SNOM, aimed at understanding the electrodynamics of materials at the nanoscale. However, due to complexities in analytical methods and the limited computation power for fully numerical simulations, compromises must be made to facilitate the modeling of tip-sample interaction, such as using quasistatic approximation or unrealistic tip geometries. Here, we apply a variety of widely utilized machine-learning methods, including k nearest neighbor and feedforward neural network etc. to study the phase-resolved spectroscopic near-field response. With only a small set of training data, which is simulated using the finite-dipole model, we demonstrate that the relation between the experimental near-field signal and sample optical constant can be one to one mapped without the need for tip modeling: for a given material with a moderate dielectric function, its complex near-field spectrum can be accurately determined within the mid-IR spectral range, and vice versa. Our preliminary study sets the stage for future exploration using real experimental data. Our method is beneficial for processing the increasing amount of data accumulated across many research groups and especially useful for user facilities such as synchrotron-based national laboratories where a large amount of data is generated on a daily basis.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Integrated Design of Ultradurable, Low CO 2 Alternative Binder Systems via Machine Learning

This ARPA-E project developed a machine learning tool to use in formulation design of cementitious binders for concrete having 50% less embodied CO 2 and possessing twice the durability compared to concrete based on ordinary portland cement (OPC) binders. The technical focus was on limestone/calcined clay cement (LC3), the leading replacement for OPC. Here, hierarchical machine learning (HML) was used to model the flowability, set time, strength, and durability of LC3 concrete. This methodology identifies latent variables derived from domain knowledge and empirical models that develop an accurate model for a response surface from small datasets. For the flowability metric, particle packing was a dominant factor, while strength and durability were both strongly determined by the fraction of metakaolin and the water:solids ratio. Under constraints of water:binder ratio, material performance metrics, embodied CO 2 , and cost per tonne of OPC, multi-objective optimization was used to design binders parameterized by the mineral composition replacing OPC, particle size distributions, and water:solids ratio. The trained algorithm was able to predict multiple mixes met these performance criteria, and experimental testing validated the predictions. The model demonstrated here is relevant for North America, where pure kaolin deposits are found broadly. The approach is being taken forward into commercial application by Ansatz AI, a materials informatics company founded by PI Washburn and co-PI Poczos. Through collaborations with the cement and concrete industry, and funding from SBIR programs, a commercial software will be developed in future research.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Thermo-Mechanical Modeling and Evaluation of the Cracking Response of Additively Manufactured Monolithic SiC Lattice Structures Subjected to Laser Heating

Increasing operating temperatures of solar receivers is paramount to the efficiency of concentrated solar thermal (CST) and solar power (CSP) systems. Owing to its high temperature stability combined with excellent thermal and optical properties, SiC has been the material of choice for application in high-temperature solar receivers. The state-of-the-art SiC volumetric concentrating solar air receivers such as honeycomb design have been demonstrated in field tests to achieve exit air temperatures approaching 800oC. However, successful application of CST systems for decarbonization requires significant increase in temperature capability of SiC receiver technology. Supported by an award from the Solar Technology Office (SETO), US Department of Energy (DOE), GE Research in collaboration with Heliogen Holdings Inc, is engaged in the development of ultra-High Operating Temperature SiC-matrix Solar Thermal Air Receiver (HOTSSTAR) enabled by additive manufacturing. The program objective is to design and to demonstrate a techno-economically viable SiC air receiver technology to achieve exit air temperature of 1100oC for CST applications. This report summarizes the learnings of a computational study on additively manufactured SiC lattice structures subjected to laser heating. The results from this study aim to help guide the design of a SiC receiver through a better understanding of lattice structure geometric parameters and their implications on the cracking response of the structure. In the study, a heat flux was applied to the surface of a 2”-diameter cylindrical lattice structure to simulate a 4kW CO2 laser. The resulting temperature distribution was applied to a structural model to approximate the stress distribution within the lattice structure and a Weibull analysis was performed to gain insight into the probability of failure and to evaluate the cracking response of the structure. With this approach, the influence of lattice density on temperature, stress, and probability of failure was explored for two different lattice beam spacings. A discussion on modeling assumptions, a comparison with experimental results, and an evaluation of the lattice cracking response is provided.

14 SOLAR ENERGY↗

NASA NTRS2011

Numerical Implementation of a Multiple-ISV Thermodynamically-Based Work Potential Theory for Modeling Progressive Damage and Failure in Fiber-Reinforced Laminates

A thermodynamically-based work potential theory for modeling progressive damage and failure in fiber-reinforced laminates is presented. The current, multiple-internal state variable (ISV) formulation, enhanced Schapery theory (EST), utilizes separate ISVs for modeling the effects of damage and failure. Damage is considered to be the effect of any structural changes in a material that manifest as pre-peak non-linearity in the stress versus strain response. Conversely, failure is taken to be the effect of the evolution of any mechanisms that results in post-peak strain softening. It is assumed that matrix microdamage is the dominant damage mechanism in continuous fiber-reinforced polymer matrix laminates, and its evolution is controlled with a single ISV. Three additional ISVs are introduced to account for failure due to mode I transverse cracking, mode II transverse cracking, and mode I axial failure. Typically, failure evolution (i.e., post-peak strain softening) results in pathologically mesh dependent solutions within a finite element method (FEM) setting. Therefore, consistent character element lengths are introduced into the formulation of the evolution of the three failure ISVs. Using the stationarity of the total work potential with respect to each ISV, a set of thermodynamically consistent evolution equations for the ISVs is derived. The theory is implemented into commercial FEM software. Objectivity of total energy dissipated during the failure process, with regards to refinements in the FEM mesh, is demonstrated. The model is also verified against experimental results from two laminated, T800/3900-2 panels containing a central notch and different fiber-orientation stacking sequences. Global load versus displacement, global load versus local strain gage data, and macroscopic failure paths obtained from the models are compared to the experiments.

Pineda, Evan J.↗

NASA NTRS2012

A Thermodynamically-Based Mesh Objective Work Potential Theory for Predicting Intralaminar Progressive Damage and Failure in Fiber-Reinforced Laminates

A thermodynamically-based work potential theory for modeling progressive damage and failure in fiber-reinforced laminates is presented. The current, multiple-internal state variable (ISV) formulation, enhanced Schapery theory (EST), utilizes separate ISVs for modeling the effects of damage and failure. Damage is considered to be the effect of any structural changes in a material that manifest as pre-peak non-linearity in the stress versus strain response. Conversely, failure is taken to be the effect of the evolution of any mechanisms that results in post-peak strain softening. It is assumed that matrix microdamage is the dominant damage mechanism in continuous fiber-reinforced polymer matrix laminates, and its evolution is controlled with a single ISV. Three additional ISVs are introduced to account for failure due to mode I transverse cracking, mode II transverse cracking, and mode I axial failure. Typically, failure evolution (i.e., post-peak strain softening) results in pathologically mesh dependent solutions within a finite element method (FEM) setting. Therefore, consistent character element lengths are introduced into the formulation of the evolution of the three failure ISVs. Using the stationarity of the total work potential with respect to each ISV, a set of thermodynamically consistent evolution equations for the ISVs is derived. The theory is implemented into commercial FEM software. Objectivity of total energy dissipated during the failure process, with regards to refinements in the FEM mesh, is demonstrated. The model is also verified against experimental results from two laminated, T800/3900-2 panels containing a central notch and different fiber-orientation stacking sequences. Global load versus displacement, global load versus local strain gage data, and macroscopic failure paths obtained from the models are compared to the experiments.

Pineda, Evan J.↗

NASA NTRS2023

Progressive Damage and Failure Analysis of Thermoplastic Composites in Low Velocity Impact Using MAT299

As part of the NASA Hi-Rate Composite Aircraft Manufacturing (HiCAM) Project, state-of-the-art progressive damage and failure analysis (PDFA) tools developed for use with thermosets are being evaluated for use in modeling alternative material systems, like thermoplastics. Experimental low-velocity impact data of a thermoplastic material system, AS4D/PEKK-FC, is presented and includes characterization of the impact damage mechanisms as well as associated load and displacement data. Following the presentation of experimental results, two simulation approaches using the PDFA tool MAT299 in the commercial off-the-shelf finite element software LS-DYNA are employed to predict damage area and force-displacement responses of thermoplastic panels subjected to various impact energies. The first modeling method uses solid elements with a high-density mesh and a ply-by-ply modeling approach similar to previously published work for thermosets. This method has the capability of capturing individual crack development, progression, and delamination on a per ply basis. The second modeling method uses TSHELL elements that have in-plane dimensions that are an order of magnitude larger than the elements used in the solid element approach and reduces the number of elements through the thickness of the laminate. The second method produces a lower-fidelity model with reduced run times that is incapable of monitoring every delamination plane and damage within each ply. Results from both simulation methods are compared to experiment, and limitations of the methods are discussed.

Composite material↗

NASA NTRS2023

Progressive Damage and Failure Analysis of Thermoplastic Composites in Low Velocity Impact Using MAT299

As part of the NASA Hi-Rate Composite Aircraft Manufacturing (HiCAM) Project, state-of-the-art progressive damage and failure analysis (PDFA) tools developed for use with thermosets are being evaluated for use in modeling alternative material systems, like thermoplastics. Experimental low-velocity impact data of a thermoplastic material system, AS4D/PEKK-FC, is presented and includes characterization of the impact damage mechanisms as well as associated load and displacement data. Following the presentation of experimental results, two simulation approaches using the PDFA tool MAT299 in the commercial off-the-shelf finite element software LS-DYNA are employed to predict damage area and force-displacement responses of thermoplastic panels subjected to various impact energies. The first modeling method uses solid elements with a high-density mesh and a ply-by-ply modeling approach similar to previously published work for thermosets. This method has the capability of capturing individual crack development, progression, and delamination on a per ply basis. The second modeling method uses TSHELL elements that have in-plane dimensions that are an order of magnitude larger than the elements used in the solid element approach and reduces the number of elements through the thickness of the laminate. The second method produces a lower-fidelity model with reduced run times that is incapable of monitoring every delamination plane and damage within each ply. Results from both simulation methods are compared to experiment, and limitations of the methods are discussed.

Composite material↗

DOE OSTI2025

Chemo‐Mechanical Coupling in Hydrogels: Dynamics in the Diffusion‐Limited Regime

Hydrogels are characterized by substantial volume changes in response to external stimuli, making them promising candidates for developing smart materials with enhanced adaptability and responsiveness. By integrating chemical reactions, hydrogels acquire dynamic and tunable responsiveness to external stimuli through chemo‐mechanical coupling, expanding their potential in emerging applications. However, capturing their transient behavior remains challenging due to the complex interplay of chemical reactions, solvent transport, and polymer network deformation. Classical theories capture equilibrium swelling but fail to describe time‐dependent phenomena. To address this, a time‐dependent continuum model is developed that explicitly couples these processes. Volume phase transition in hydrogels with homogeneous chemical reactions is investigated, then the effects of reaction kinetics on these transitions are analyzed. The coupling of these mechanisms is further explored through a study of transient mechanical instabilities. To illustrate the impact of distinct reaction and diffusion timescales, a photo‐active gripper is studied for robotic applications. Finally, a photo‐active microswimmer that exhibits non‐reciprocal motion is proposed to highlight the solvent diffusion for locomotion at the micro‐ and nano‐ scales. The work establishes that transient dynamics of chemo‐mechanical hydrogels generate functions not accessible by steady state models and provides a predictive platform for designing adaptive materials in emerging applications.

chemo-mechanical coupling↗

NASA NTRS2004

Nonlinear Thermoelastic Model for SMAs and SMA Hybrid Composites

A constitutive mathematical model has been developed that predicts the nonlinear thermomechanical behaviors of shape-memory-alloys (SMAs) and of shape-memory-alloy hybrid composite (SMAHC) structures, which are composite-material structures that contain embedded SMA actuators. SMAHC structures have been investigated for their potential utility in a variety of applications in which there are requirements for static or dynamic control of the shapes of structures, control of the thermoelastic responses of structures, or control of noise and vibrations. The present model overcomes deficiencies of prior, overly simplistic or qualitative models that have proven ineffective or intractable for engineering of SMAHC structures. The model is sophisticated enough to capture the essential features of the mechanics of SMAHC structures yet simple enough to accommodate input from fundamental engineering measurements and is in a form that is amenable to implementation in general-purpose structural analysis environments.

Turner, Travis L.↗

DOE OSTI2020

Observation of Unconventional Dynamics of Domain Walls in Uniaxial Ferroelectric Lead Germanate

Application of scanning probe microscopy techniques such as piezoresponse force microscopy (PFM) opens the possibility to re-visit the ferroelectrics previously studied by the macroscopic electrical testing methods and establish a link between their local nanoscale characteristics and integral response. It is reported that the nanoscale PFM studies and phase-field modeling of the static and dynamic behavior of the domain structure in the well-known ferroelectric material lead germanate Pb 5 Ge 3 O 11 . Here, several unusual phenomena are revealed: 1) domain formation during the paraelectric-to-ferroelectric phase transition, which exhibits an atypical cooling rate dependence; 2) unexpected electrically induced formation of the oblate domains due to the preferential domain walls motion in the directions perpendicular to the polar axis, contrary to the typical domain growth behavior observed so far; 3) absence of the bound charges at the 180 degrees head-to-head (H-H) and tail-totail (T-T) domain walls, which typically exhibit a significant charge density in other ferroelectrics due to the polarization discontinuity. This strikingly different behavior is rationalized by the phase field modeling of the dynamics of uncharged H-H and T-T domain walls. The results provide a new insight into the emergent physics of the ferroelectric domain boundaries, revealing unusual properties not exhibited by conventional Ising-type walls.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Electric field control of chirality

Polar textures have attracted substantial attention in recent years as a promising analog to spin-based textures in ferromagnets. Here, using optical second-harmonic generation–based circular dichroism, we demonstrate deterministic and reversible control of chirality over mesoscale regions in ferroelectric vortices using an applied electric field. The microscopic origins of the chirality, the pathway during the switching, and the mechanism for electric field control are described theoretically via phase-field modeling and second-principles simulations, and experimentally by examination of the microscopic response of the vortices under an applied field. The emergence of chirality from the combination of nonchiral materials and subsequent control of the handedness with an electric field has far-reaching implications for new electronics based on chirality as a field-controllable order parameter.

36 MATERIALS SCIENCE↗

NASA NTRS1973

Interaction of pollution abatement with world dynamics

The world dynamics model of Jay W. Forrester was modified to account for pollution abatement. In the modified model, it is assumed that as pollution increases, efforts are made to control pollution. There is a competition between food supply, material standard of living, and pollution abatement for capital, and time is required for diversion of capital toward pollution abatement. Inclusion of pollution abatement in the model drastically alters the response of the world system for the case in which depletion of natural resources is not considered. Instead of undergoing a pollution catastrophe, all system levels move more or less smoothly toward an equilibrium. A FORTRAN program listing of the modified world dynamics model is included.

Smith, G. L.↗

NASA NTRS1994

Finite element analysis of the Space Shuttle 2.5-inch frangible nut

Finite element analysis of the Space Shuttle 2.5-inch frangible nut was conducted to improve understanding of the current design and proposed design changes to this explosively-actuated nut. The 2.5-inch frangible nut is used in two places to attach the aft end of the Space Shuttle Orbiter to the External Tank. Both 2.5-inch frangible nuts must function to complete safe separation. The 2.5-inch frangible nut contains two explosive boosters containing RDX explosive each capable of splitting the nut in half, on command from the Orbiter computers. To ensure separation, the boosters are designed to be redundant. The detonation of one booster is sufficient to split the nut in half. However, beginning in 1987 some production lots of 2.5-inch frangible nuts have demonstrated an inability to separate using only a single booster. The cause of the failure has been attributed to differences in the material properties and response of the Inconel 718 from which the 2.5-inch frangible nut is manufactured. Subsequent tests have resulted in design modifications of the boosters and frangible nut. Model development and initial analysis was conducted by Sandia National Laboratories (SNL) under funding from NASA Lyndon B. Johnson Space Center (NASA-JSC) starting in 1992. Modeling codes previously developed by SNL were transferred to NASA-JSC for further analysis on this and other devices. An explosive bolt with NASA Standard Detonator (NSD) charge, a 3/4-inch frangible nut, and the Super*Zip linear separation system are being modeled by NASA-JSC.

Darin N. McKinnis↗

NASA NTRS1997

Thermal Structure Analysis of SIRCA Tile for X-34 Wing Leading Edge TPS

This paper will describe in detail thermal/structural analyses of SIRCA tiles which were performed at NASA Ames under the The Tile Analysis Task of the X-34 Program. The analyses used the COSMOS/M finite element software to simulate the material response in arc-jet tests, mechanical deflection tests, and the performance of candidate designs for the TPS system. Purposes of the analysis were to verify thermal and structural models for the SIRCA tiles, to establish failure criteria for stressed tiles, to simulate the TPS response under flight aerothermal and mechanical load, and to confirm that adequate safety margins exist for the actual TPS design.

Milos, Frank S.↗

NASA NTRS2015

Multiscale Modeling of Ceramic Matrix Composites

Results of multiscale modeling simulations of the nonlinear response of SiC/SiC ceramic matrix composites are reported, wherein the microstructure of the ceramic matrix is captured. This micro scale architecture, which contains free Si material as well as the SiC ceramic, is responsible for residual stresses that play an important role in the subsequent thermo-mechanical behavior of the SiC/SiC composite. Using the novel Multiscale Generalized Method of Cells recursive micromechanics theory, the microstructure of the matrix, as well as the microstructure of the composite (fiber and matrix) can be captured.

ceramic matrix composites↗

NASA NTRSDate not supplied

Engineering the Interface: Advanced Surface Technologies for Lunar Dust Management and Equipment Longevity

Through the Artemis program, NASA intends to develop a sustainable human foothold on the Moon, ultimately paving the way for crewed exploration of Mars. The Moon's hostile environment poses numerous obstacles, including exposure to radiation, temperature extremes, micrometeoroid threats, and particularly the persistent problem of lunar dust. Lunar dust impacts nearly every aspect of surface operations through adhesion and abrasion mechanisms, with contamination from anthropogenic activities (landing, rovers) far outweighing natural phenomena. Multiple adhesion pathways contribute to surface contamination in the lunar environment, including van der Waals forces, electrostatic forces, chemical reaction, and magnetic forces from elemental iron deposits. Sharp asperities from micrometeoroid bombardment and atmospheric absence increase interaction potential and enable mechanical interlocking. Low cohesion between dust particles exacerbates these challenges, as minimal interaction potential between dust and nearby surfaces overcomes particle cohesion, causing contamination. Lunar dust adhesion mitigation technologies can be categorized as either active, requiring external energy, or passive, relying on intrinsic material properties. Ultrasonic and electrodynamic technologies have been developed to the highest technology readiness level for active approaches. Passive strategies primarily focus on surface chemistry and topography modifications. At NASA Langley Research Center, approaches include surface migration agents to reduce surface energy, topographical modification using laser ablation patterning, and tailored surface conductivity to reduce intrinsic adhesion force. Performance has been evaluated using custom-built ultrasonic and centrifuge instruments. Plume-surface interactions from lunar landers can propel micrometer-sized particles at velocities up to 1000 m s-1.8 These particles pose risks to landers, habitats and infrastructure, leading to erosion, degradation, and reduced component lifespan. A panel recovered from Surveyor III was determined to have been severely abraded because of lunar dust displaced from the Apollo 12 lunar module that landed 160 m away. The performance of metallic surfaces has been evaluated via high velocity single particle impact using the laser-induced project impact test (LIPIT) facility at the University of Utah. Peridynamics modeling, a form of continuum mechanics that uses a nonlocal approach enabling greater simulation capabilities of crack initiation and fracture, has also been utilized to gain greater insight into material response during impact events. Lunar dust contamination challenges extend to power generation systems and moving equipment. Cables, rotation stages, and other mechanisms may experience limited range of motion and reduced lifetime due to dust infiltration. NASA Langley Research Center has evaluated traditional aerospace alloys, softgoods, wear resistant ceramics, and several polymer and polymer composite materials. Test methods have included traditional techniques like Taber abrasion testing, as well as designed test configurations developed in the DUSTE (dust, ultraviolet radiation, and space thermal environmental) chamber that reproduce mechanism functions in operational environment. Beyond laboratory experiments, several flight experiments have been conducted. Materials were exposed to the low Earth orbit environment on the Materials International Space Station Experiment (MISSE) and to the lunar surface environment through the Aegis Aerospace Regolith Adherence Characterization (RAC) payload and the Honeybee Robotics PlanetVac payload. Determining lunar dust's impact on surface exploration and habitation requires comprehensive experimental and computational capabilities combined with lessons learned from initial lunar activities. Identifying the greatest environmental challenges and developing mitigation technologies provides the clearest path toward successfully, expeditiously, and efficaciously completing NASA's mission. This presentation will discuss ongoing efforts at NASA Langley Research Center and collaborator contributions to these critical objectives.

Surface Engineering↗

DOE OSTI2020

Characterizing Dislocation Defects in Dark Field X-ray Microscopy Images of Bulk Aluminum

Material defects play a large role in material response under shock loading, yet the process of how these defects initiate, propagate, and annihilate is not well understood. Using a newly developed diagnostic, dark field X-ray microscopy (DFXM), we can now visualize the behavior of dislocation defects in materials at the mesoscale under varying conditions. Using data from the European Synchrotron Radiation Facility, we apply a variety of image processing techniques to capture relevant features to locate and characterize size and orientation of dislocation defects in bulk aluminum DFXM images. Beyond simple visualization, this analysis drives statistical characterization of the defects and their dynamic response to further improve the relevant physics models.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Dynamic Strength of Copper at High Pressures Using Pressure Shear Plate Experiments

Measurement of strength at high pressures is critical to understanding the behavior of materials subjected to extreme loading conditions. Recent developments have extended the pressure shear plate impact (PSPI) technique to the high-pressure regime. Such experiments provide a unique opportunity to extract the complete stress-strain behavior of materials at relatively high pressures. The modified technique includes a new fiber-optic heterodyne transverse velocity interferometer system and new analysis methods to account for the inelastic response of the anvil plates. In this study, PSPI experiments are conducted on oxygen-free high conductivity (OFHC) copper at pressures ranging from 10 to 43 GPa and at strain rates of ~10 5 s -1 . Complete stress-strain curves of copper are obtained using a hybrid methodology that relies on numerical simulations and particle velocity records gathered in these experiments. Experiments are conducted at similar pressures and strain rates using two types of anvils that undergo different levels of plastic strains: tool steel and tungsten carbide, to check the robustness of the hybrid method. The behavior of copper at these high pressures and strain rates is compared with previous literature data, and the effect of pressure and strain rate on the strength behavior of copper are discussed. Here, it was observed that the rate of change in yield strength change in pressure was 2.5 times the rate of change of shear modulus with pressure. The strength models that predict the response of copper at these extreme conditions are also examined and validated.

36 MATERIALS SCIENCE↗