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At least 1,477 records · Page 82

Estimating Material Properties Under Extreme Conditions by Using Bayesian Model Calibration with Functional Outputs

Summary Dynamic material properties experiments provide access to the most extreme temperatures and pressures attainable in a laboratory setting; the data from these experiments are often used to improve our understanding of material models at these extreme conditions. We apply Bayesian model calibration to dynamic material property applications where the experimental output is a function: velocity over time. This framework can accommodate more uncertainties and facilitate analysis of new types of experiments relative to techniques traditionally used to analyse dynamic material experiments. However, implementation of Bayesian model calibration requires more sophisticated statistical techniques, because of the functional nature of the output as well as parameter and model discrepancy identifiability. We propose a novel Bayesian model calibration process to simplify and improve the estimation of the material property calibration parameters. Specifically, we propose scaling the likelihood function by an effective sample size rather than modelling the auto-correlation function to accommodate the functional output. Additionally, we propose sensitivity analyses by using the notion of 'modularization' to assess the effect of experiment-specific nuisance input parameters on estimates of the physical parameters. The Bayesian model calibration framework proposed is applied to dynamic compression of tantalum to extreme pressures, and we conclude that the procedure results in simple, fast and valid inferences on the material properties for tantalum.

36 MATERIALS SCIENCE↗

Informing ARC divertor design and plasma facing material selection through integrated modeling

This INFUSE 2023 project between UCLA and Commonwealth Fusion Systems used computer modeling to test whether tungsten materials can survive in CFS's ARC fusion reactor divertor. The team simulated plasma conditions and material responses, finding that tungsten-rhenium alloys resist grain growth better than pure tungsten, and that hydrogen buildup depends more on particle flux than temperature. The work helps CFS design durable plasma-facing components for their fusion power plant.

36 MATERIALS SCIENCE↗

Probabilistic Multi-Factor Interaction Model for Complex Material Behavior

Complex material behavior is represented by a single equation of product form to account for interaction among the various factors. The factors are selected by the physics of the problem and the environment that the model is to represent. For example, different factors will be required for each to represent temperature, moisture, erosion, corrosion, etc. It is important that the equation represent the physics of the behavior in its entirety accurately. The Multi-Factor Interaction Model (MFIM) is used to evaluate the divot weight (foam weight ejected) from the external launch tanks. The multi-factor has sufficient degrees of freedom to evaluate a large number of factors that may contribute to the divot ejection. It also accommodates all interactions by its product form. Each factor has an exponent that satisfies only two points - the initial and final points. The exponent describes a monotonic path from the initial condition to the final. The exponent values are selected so that the described path makes sense in the absence of experimental data. In the present investigation, the data used were obtained by testing simulated specimens in launching conditions. Results show that the MFIM is an effective method of describing the divot weight ejected under the conditions investigated. The problem lies in how to represent the divot weight with a single equation. A unique solution to this problem is a multi-factor equation of product form. Each factor is of the following form (1 xi/xf)ei, where xi is the initial value, usually at ambient conditions, xf the final value, and ei the exponent that makes the curve represented unimodal that meets the initial and final values. The exponents are either evaluated by test data or by technical judgment. A minor disadvantage may be the selection of exponents in the absence of any empirical data. This form has been used successfully in describing the foam ejected in simulated space environmental conditions. Seven factors were required to represent the ejected foam. The exponents were evaluated by least squares method from experimental data. The equation is used and it can represent multiple factors in other problems as well; for example, evaluation of fatigue life, creep life, fracture toughness, and structural fracture, as well as optimization functions. The software is rather simplistic. Required inputs are initial value, final value, and an exponent for each factor. The number of factors is open-ended. The value is updated as each factor is evaluated. If a factor goes to zero, the previous value is used in the evaluation.

Abumeri, Galib H.↗

Global modeling of wall material migration following boronization in NSTX-U

Boronization is commonly utilized in tokamaks to suppress intrinsic impurities, most notably oxygen from residual water vapor. However, this is a temporary solution, as oxygen levels typically return to pre-boronization levels following repeated plasma exposure. The global impurity migration model WallDYN has been applied to the post-boronization surface impurity evolution in NSTX-U. A "Thin Film Model" has been incorporated into WallDYN to handle spatially inhomogeneous conditioning films of varying thicknesses, together with an empirical boron conditioning model for the NSTX-U glow discharge boronization process. The model qualitatively reproduces the spatial distribution of boron in the NSTX-U vessel, the spatially-resolved divertor emission pattern, and the increase in oxygen levels following boronization. The simulations suggest that oxygen is primarily sourced from wall locations without heavy plasma flux or significant boron deposition, namely the lower and upper passive plates and the lower private flux zone.

Integrated modeling↗

A thermomechanical anisotropic continuum model for geological materials with multiple joint sets

Joints in geological materials introduce elastic compliance and weak planes on which sliding can occur. Although these materials can have multiple joint sets, they often have preferred orientations that cause both elastic and inelastic anisotropic response even when the unjointed material is isotropic. Azimuthal variations in radial velocity and polarity of tangential motion have been observed in experimental data for wave propagation caused by an initially spherical source in a geological material with multiple joint sets. This observed tangential ground motion was found to be related to mechanical anisotropy caused by preferred orientations of joints in the rock. This paper describes thermomechanical continuum constitutive equations, which model the effects of multiple persistent joint sets. A number of quasi–static examples are considered, which show that the proposed model predicts anisotropic effects of sliding on multiple joint sets similar to those exhibited by computationally expensive mesoscale calculations, which model joint sets explicitly.

58 GEOSCIENCES↗

Mechanical Properties of Nanostructured Materials Determined Through Molecular Modeling Techniques

The potential for gains in material properties over conventional materials has motivated an effort to develop novel nanostructured materials for aerospace applications. These novel materials typically consist of a polymer matrix reinforced with particles on the nanometer length scale. In this study, molecular modeling is used to construct fully atomistic models of a carbon nanotube embedded in an epoxy polymer matrix. Functionalization of the nanotube which consists of the introduction of direct chemical bonding between the polymer matrix and the nanotube, hence providing a load transfer mechanism, is systematically varied. The relative effectiveness of functionalization in a nanostructured material may depend on a variety of factors related to the details of the chemical bonding and the polymer structure at the nanotube-polymer interface. The objective of this modeling is to determine what influence the details of functionalization of the carbon nanotube with the polymer matrix has on the resulting mechanical properties. By considering a range of degree of functionalization, the structure-property relationships of these materials is examined and mechanical properties of these models are calculated using standard techniques.

Clancy, Thomas C.↗

Vacuum System and Modeling for the Materials Plasma Exposure Experiment

Understanding the science of plasma-material interactions (PMI) is essential for the future development of fusion facilities. The design of divertors and first walls for the next generation of long-pulse fusion facilities, such as a Fusion Nuclear Science Facility (FNSF) or a DEMO, requires significant PMI research and development. In order to meet this need, a new linear plasma facility, the Materials Plasma Exposure Experiment (MPEX) is proposed, which will produce divertor relevant plasma conditions for these next generation facilities. The device will be capable of handling low activation irradiated samples and be able to remove and replace samples without breaking vacuum. A Target Exchange Chamber (TEC) which can be disconnected from the high field environment in order to perform in-situ diagnostics is planned for the facility as well. The vacuum system for MPEX must be carefully designed in order to meet the requirements of the different heating systems, and to provide conditions at the target similar to those expected in a divertor. An automated coupling-decoupling (“autocoupler”) system is designed to create a high vacuum seal, and will allow the TEC to be disconnected without breaking vacuum in either the TEC or the primary plasma materials interaction chamber. This autocoupler, which can be actuated remotely in the presence of the high magnetic fields, has been designed and prototyped, and shows robustness in a variety of conditions. The vacuum system has been modeled using a simplified finite element analysis, and indicates that the design goals for the pressures in key regions of the facility are achievable.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ductile Tearing of Thin Aluminum Plates Under Blast Loading: Predictions with Fully Coupled Models and Biaxial Material Response Characterization

The work presented in this report concerns the response and failure of thin 2024- T3 aluminum alloy circular plates to a blast load produced by the detonation of a nearby spherical charge. The plates were fully clamped around the circumference and the explosive charge was located centrally with respect to the plate. The principal objective was to conduct a numerical model validation study by comparing the results of predictions to experimental measurements of plate deformation and failure for charges with masses in the vicinity of the threshold between no tearing and tearing of the plates. Stereo digital image correlation data was acquired for all tests to measure the deflection and strains in the plates. The size of the virtual strain gage in the measurements, however, was relatively large, so the strain measurements have to be interpreted accordingly as lower bounds of the actual strains in the plate and of the severity of the strain gradients. A fully coupled interaction model between the blast and the deflection of the structure was considered. The results of the validation exercise indicated that the model predicted the deflection of the plates reasonably accurately as well as the distribution of strain on the plate. The estimation of the threshold charge based on a critical value of equivalent plastic strain measured in a bulge test, however, was not accurate. This in spite of efforts to determine the failure strain of the aluminum sheet under biaxial stress conditions. Further work is needed to be able to predict plate tearing with some degree of confidence. Given the current technology, at least one test under the actual blast conditions where the plate tears is needed to calibrate the value of equivalent plastic strain when failure occurs in the numerical model. Once that has been determined, the question of the explosive mass value at the threshold could be addressed with more confidence.

36 MATERIALS SCIENCE↗

Constitutive Modeling of Crosslinked Nanotube Materials

A non-linear, continuum-based constitutive model is developed for carbon nanotube materials in which bundles of aligned carbon nanotubes have varying amounts of crosslinks between the nanotubes. The model accounts for the non-linear elastic constitutive behavior of the material in terms of strain, and is developed using a thermodynamic energy approach. The model is used to examine the effect of the crosslinking on the overall mechanical properties of variations of the crosslinked carbon nanotube material with varying degrees of crosslinking. It is shown that the presence of the crosslinks has significant effects on the mechanical properties of the carbon nanotube materials. An increase in the transverse shear properties is observed when the nanotubes are crosslinked. However, this increase is accompanied by a decrease in axial mechanical properties of the nanotube material upon crosslinking.

Odegard, G. M.↗

Colloid-Facilitated Transport of 137 Cs in Fracture-Fill Material. Experiments and Modeling

In this study, we demonstrate how a combination of batch sorption/desorption experiments and column transport experiments were used to effectively parameterize a model describing the colloid-facilitated transport of Cs in the Grimsel granodiorite/FFM system. Cs partition coefficient estimates onto both the colloids and the stationary media obtained from the batch experiments were used as initial estimates of partition coefficients in the column experiments, and then the column experiment results were used to obtain refined estimates of the number of different sorption sites and the adsorption and desorption rate constants of the sites. The desorption portion of the column breakthrough curves highlighted the importance of accounting for adsorption-desorption hysteresis (or a very nonlinear adsorption isotherm) of the Cs on the FFM in the model, and this portion of the breakthrough curves also dictated that there be at least two different types of sorption sites on the FFM. In the end, the two-site model parameters estimated from the column experiments provided excellent matches to the batch adsorption/desorption data, which provided a measure of assurance in the validity of the model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Constitutive modeling for isotropic materials

Constitutive theories were evaluated against a large uniaxial and multiaxial data base that was generated as part of this work. The experimental approach was to determine the constitutive behavior of Rene 80 under a multitude of conditions that are important in the design of gas turbine blades and vanes. The experimental and analytical goals of this program were successfully accomplished. A new multiaxial constitutive model which can represent the complex nonlinear high temperature behavior of Rene 80 was developed. The model was extensively verified on data at several temperatures.

Ramaswamy, V. G.↗

What makes a material printable? A viscoelastic model for extrusion-based 3D printing of polymers

This paper presents a practical model for evaluating polymer feedstock materials as candidates for 3D printing across a variety of extrusion-based platforms. In order for a material to be successfully utilized for 3D printing operations, a series of fundamental conditions must be met. First, pressure-driven extrusion must occur through a given diameter nozzle at a specified flow rate. Second, the extruded material must form and sustain the desired shape. Third, the extruded structure must be able to bridge a specified gap and serve as a mechanically sound foundation for successive deposits. Finally, the deposited structure must be dimensionally stable during the transition to the final state (i.e. fully cured at room temperature). This article presents a framework for extrusion-based printing and a simple viscoelastic model for each of these conditions based on the rheological and thermo-physical properties of the candidate material and the processing parameters of the extrusion-based deposition platform. The model is demonstrated to be a useful tool for the evaluation of example test cases including: high temperature thermoplastics (polyphenylsulfone), fiber reinforced thermoplastics (acrylonitrile butadiene styrene), low-viscosity thermosets (epoxy resins), and thermoplastics with a high coefficient of thermal expansion (polypropylene).

36 MATERIALS SCIENCE↗

Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a diverse team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This report describes the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); identified gaps and actions to close those gaps; and major recommendations) which constitutes a community consensus document as it is a result of over 450 professionals input obtain via: 1) four society workshops (AIAA, NAFEMS, and two TMS), 2) community-wide survey, and 3) the establishment of 9 expert panels (one per KE) consisting on average of 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. The study envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems. Although the vision focused on aeronautics and space applications, it is believed that other engineering communities (e.g., automotive, biomedical, etc.) can benefit as well from the proposed framework with only minor modifications. Finally, it is TTT's hope and desire that this vision provides the strategic guidance to both public and private research and development decision makers to make the proposed 2040 vision state a reality and thereby provide a significant advancement in the United States global competitiveness.

multi-scale modeling↗

MEDLI2: Ablator Models for Flight

During the entry of Mars Science Laboratory (MSL) the heatshield was equipped with the instrumentation suite Mars Entry, Descent, and Landing Instruments (MEDLI). In-depth thermocouple (TC) data was used to reconstruct the surface heating[1,2]. Discrepancies between MEDLI’s flight heating data and predicted thermal response and recession[3] led to a campaign to characterize and test Mars2020 and MEDLI2 (Mars Entry, Descent, and Landing Instrument 2)[4] flight-lot thermal protection materials (TPS) at relevant ground test conditions. This paper covers the development and validation of flight-lot material response models for the heatshield material Phenolic Impregnated Carbon Ablator (PICA) and the backshell material SLA-561V (Super Lightweight Ablator). Virgin and char properties such as thermal conductivity and emissivity were updated as a function of temperature and pressure in the MEDLI2 specific material response models. Other material properties were characterized and determined to be similar to prior TPS material measurements used for the heritage models. MEDLI2 also investigated the impact of the protective coating that was applied to MSL and Mars2020’s PICA heatshield to reduce the particulate matter shedding. Evidence from arc jet experiments on coated PICA showed that although there were no adverse effects on the performance of the TPS, there were differences in the in-depth temperatures and reduced recession compared to material response predictions of uncoated PICA.[5,6]. Fully Implicit Ablation and Thermal response (FIAT)[7] material response simulations were conducted with the heritage and MEDLI2 flight-lot material models. FIAT-predicted in-depth temperature responses and recession predictions were compared to flight-lot certification ground-test arc jet test data and MEDLI2 thermocouple data.

Materials Response↗

Application of symbolic computations to the constitutive modeling of structural materials

In applications involving elevated temperatures, the derivation of mathematical expressions (constitutive equations) describing the material behavior can be quite time consuming, involved and error-prone. Therefore intelligent application of symbolic systems to faciliate this tedious process can be of significant benefit. Presented here is a problem oriented, self contained symbolic expert system, named SDICE, which is capable of efficiently deriving potential based constitutive models in analytical form. This package, running under DOE MACSYMA, has the following features: (1) potential differentiation (chain rule), (2) tensor computations (utilizing index notation) including both algebraic and calculus; (3) efficient solution of sparse systems of equations; (4) automatic expression substitution and simplification; (5) back substitution of invariant and tensorial relations; (6) the ability to form the Jacobian and Hessian matrix; and (7) a relational data base. Limited aspects of invariant theory were also incorporated into SDICE due to the utilization of potentials as a starting point and the desire for these potentials to be frame invariant (objective). The uniqueness of SDICE resides in its ability to manipulate expressions in a general yet pre-defined order and simplify expressions so as to limit expression growth. Results are displayed, when applicable, utilizing index notation. SDICE was designed to aid and complement the human constitutive model developer. A number of examples are utilized to illustrate the various features contained within SDICE. It is expected that this symbolic package can and will provide a significant incentive to the development of new constitutive theories.

Arnold, Steven M.↗

Computational Modeling in Structural Materials Processing

High temperature materials such as silicon carbide, a variety of nitrides, and ceramic matrix composites find use in aerospace, automotive, machine tool industries and in high speed civil transport applications. Chemical vapor deposition (CVD) is widely used in processing such structural materials. Variations of CVD include deposition on substrates, coating of fibers, inside cavities and on complex objects, and infiltration within preforms called chemical vapor infiltration (CVI). Our current knowledge of the process mechanisms, ability to optimize processes, and scale-up for large scale manufacturing is limited. In this regard, computational modeling of the processes is valuable since a validated model can be used as a design tool. The effort is similar to traditional chemically reacting flow modeling with emphasis on multicomponent diffusion, thermal diffusion, large sets of homogeneous reactions, and surface chemistry. In the case of CVI, models for pore infiltration are needed. In the present talk, examples of SiC nitride, and Boron deposition from the author's past work will be used to illustrate the utility of computational process modeling.

Meyyappan, Meyya↗

Uncertainty quantification of material parameters in modeling coupled metal and high explosive experiments

Experiments involving the coupling of metal and high explosives (HE) are of notable defense-related interest, and we seek to refine the uncertainty quantification associated with models of such experiments. In particular, our focus is on how uncertainty related to the metal constitutive model challenges our ability to infer high explosive model parameters when analyzing focused science experiments. We consider three focused experiments involving an HE accelerating metal: small plate tests with tantalum/LX-14 and tantalum/LX-17 pairings as well as a tantalum/LX-17 cylinder test. For all three models, we perform sensitivity analysis to ascertain the influence of metal strength on the coupled experimental response. Moreover, we calibrate each model in a Bayesian setting and study the quantification of metal strength on the inference of the HE parameters. Based on our results, we offer guidance for future metal/HE experiments.

36 MATERIALS SCIENCE↗