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At least 469 records · Page 26

Elastic/viscoplastic constitutive model for fiber reinforced thermoplastic composites

A constitutive model to describe the elastic/viscoplastic behavior of fiber-reinforced thermoplastic composites under plane stress conditions is presented. Formulations are given for quasi-static plasticity and time-dependent viscoplasticity. Experimental procedures required to generate the necessary material constants are explained, and the experimental data is compared to the predicted behavior.

Gates, T. S.↗

Fluidized-Bed Gasification of Coal-Biomass-Plastics for Hydrogen Production

Coal is one of the most abundant fossil energy resources in the United States and in the world. The recoverable reserves in the United States are estimated to be about 252 billion tons – more than 350 years of supply at current rates of usage. However, the share of coal in total primary energy consumption in the US has been declining over the years. The decline of coal is mainly attributed to cheap natural gas and precipitous declines in the cost of electricity production from renewable technologies such as wind and solar. Coal can potentially be used if it is coupled with carbon-neutral feedstock such as biomass-agricultural residues, forest biomass, and forest residues. Co-gasification of coal and biomass can become a negative carbon emission technology if the carbon dioxide (CO 2 ) is captured and sequestered. Although the biomass gasification process has a lot of similarities to coal gasification, the large-scale adaptation of power production sourced from biomass has not come to fruition. The main reason is that the power production from biomass is still expensive when compared with natural gas or coal power technologies. To address the feedstock cost, one approach is to use low-cost feedstocks, such as municipal solid wastes (MSW) or plastics, for gasification. Gasification involves the partial oxidation of coal and/or biomass feedstocks to produce a combustible fuel called synthesis gas (syngas) which is composed of carbon monoxide (CO), hydrogen (H 2 ), CO 2 , methane (CH 4 ), nitrogen (N 2 ), water (H 2 O), and other compounds that might be considered as contaminants. Raw syngas from gasification must go through multiple steps to produce high-purity hydrogen. The specific steps depend upon the quality (gas composition, contaminants, and their concentration) and condition (pressure and temperature) of syngas. The long-term goal of the project was to utilize coal and plastics together with biomass to produce energy and fuels using a gasification platform while reducing greenhouse gas emissions. The main objective of this research was to examine gasification performance in a laboratory-scale fluidized-bed gasifier for hydrogen production. The specific objectives of the research were to: (i) study coal-plastic-biomass mixture flowability for consistent feeding in the gasifier; (ii) understand the gasification behavior of the mixture in steam and oxygen environments; (iii) perform thermal property characterization of ash and slag from the mixture feedstock and refractory-ash interface of the mixture under gasification conditions; and (iv) develop process models to determine the technology needed for syngas cleanup and contaminants. The study found that there was no apparent segregation when biomass, coal, and waste plastics were mixed together during feeding. Although there were differences in hydrogen production when individual feedstock were fed, the hydrogen concentration remained almost constant with various blends. Therefore, blending waste plastics with biomass and coal, which are all abundant, is a better approach for energy production. Results of the techno-economic analysis suggested that integration of advanced gasification (GTI’s R-GAS™) and syngas cleanup and conditioning technologies (RTI’s WDP and AFWGS) for clean hydrogen production resulted in substantial benefits, including significant capital cost and operating cost reductions. Advanced technologies resulted in 16% reduction in the hydrogen production cost (COH) from 2.94 $\$$/kg to 2.47 $\$$/g, with further scope for optimization and cost reduction. These advanced technologies also result in lower emissions, and improved energy efficiency.

01 COAL, LIGNITE, AND PEAT↗

In situ study on the compression deformation of MoNbTaVW high-entropy alloy

The excellent mechanical properties of high-entropy alloys (HEAs) make them promising materials for advances in science and technology. However, the underlying mechanism of plastic deformation is not well understood. In situ experiments are urgently required to provide a fundamental understanding of the plastic deformation under high pressure. We performed in situ synchrotron X-ray diffraction (XRD) experiments to study compression deformation behavior of the HEA MoNbTaVW in a radial diamond anvil cell (rDAC). Our results show that the strength and ratio of the stress-to-shear modulus values are ~1.5 and 3 times that of pure tungsten (W), respectively. MoNbTaVW showed plastic deformation above 5 GPa and displayed a much stronger texture. In this work, we found that the active dislocation behavior is mainly responsible for the high strength in MoNbTaVW under compression. This unique technique opens a new avenue to investigate the in situ mechanical properties and their mechanism in other types of HEAs.

36 MATERIALS SCIENCE↗

Atomistic Investigation of Plastic Deformation and Dislocation Motion in Uranium Mononitride

Uranium mononitride (UN) is a promising advanced nuclear fuel due to its high thermal conductivity and high fissile density. However, many aspects of its mechanical behavior, particularly at reactor-relevant conditions, remain unclear. In this study, molecular dynamics (MD) simulations were employed to investigate the deformation behavior and dislocation motion in UN. We found that the Kocevski potential predicts the principal slip system as $\frac{1}{2}$ $\langle110\rangle${110}, aligning with experimental data. On the other hand, the Tseplyaev potential predicts slip to primarily occur on $\frac{1}{2}$ $\langle110\rangle${111}. MD simulations of stress–strain behavior were used to estimate the nanoindentation hardness, revealing that the Kocevski potential accurately predicts hardness even though it fails to model dynamic plasticity. Complete dislocation mobility functions have been fitted for the edge and screw dislocations in both the thermally activated and phonon-drag regimes. The 300 K linear mobility of the edge dislocation using the Tseplyaev potential was found to be 817 Pa -1 ·s -1 , whereas that of the screw dislocation using the Kocevski potential was found to be 4546 Pa -1 ·s -1 . At intermediate stresses, we observed that the subsonic steady-state motion of the edge dislocation in UN is intermittently interrupted by velocity jumps, reaching the average sound velocity. Finally, the threshold Schmid stress is calculated as 179–197 MPa, which gives an upper-limit estimate of the uniaxial yield stress of polycrystalline UN of 548–603 MPa. These findings, including the fitted dislocation mobility function, provide essential input for future plasticity and dislocation dynamics models of nuclear fuels.

36 MATERIALS SCIENCE↗

Virtual diffraction simulations using the quasi-coarse-grained dynamics method to understand and interpret plasticity contributions during in situ shock experiments

The dynamic deformation response of metallic materials has contributions from dislocations, deformation twinning, and plastic deformation. The current state-of-art techniques can detail the complex mechanistic history of deformation modes under shock loading in real-time using in situ X-ray diffraction (XRD). However, the capability of these experiments to unravel plasticity contributions is challenging due to limitations in interpreting results and the lack of validation from atomistic simulations. Molecular dynamics (MD) simulations can successfully capture various deformation modes in metals and complement experiments using simulated diffractograms at various stages of evolution. However, the difference in length and time scales of MD simulations and experiments is a substantial obstacle in completing and interpreting in situ diffractograms. Therefore, the existing modeling methods require various approximations to model defect evolution and interaction at the mesoscales. However, while using approximations to correlate the peak broadening behavior to the density of dislocations or the shifts/splitting due to the presence of twins, the interpretations of the plasticity contributions from diffractograms are non-trivial, especially when multiple modes of deformation may be operating. This viewpoint discusses combining a mesoscale modeling method called quasi-coarse-grained dynamics and virtual XRD to characterize the plasticity contributions in BCC metals from slip, twinning, and phase transformation behavior. Furthermore, the combined approach shows promise in bridging the mesoscale gap between the capabilities of atomic-scale simulations and in situ experiments to characterize the dynamic deformation of materials.

36 MATERIALS SCIENCE↗

Virtual texture analysis to investigate the deformation mechanisms in metal microstructures at the atomic scale

Understanding the deformation behavior of metallic materials at high strain rates requires the characterization of plasticity contributors such as twins, phase transformed regions, and dislocations. However, predicting the contributions from phase transformation and twinning relies on a complete understanding of the selection of variants for various loading orientations and the evolution of their volume fractions. This manuscript presents a new virtual texture (VirTex) analysis approach to characterize phase transformation and twinning variants in deformed microstructures generated using molecular dynamics (MD) simulations. Furthermore, the VirTex method involves the construction of a rotation matrix to calculate the angle/axis pairs and misorientation angles for each atom in the microstructure. Any changes in the orientation angle from angle/axis pairs and/or structure types are analyzed to determine the nucleation and evolution of variants in the microstructure. The study uses shock deformed single-crystal Fe, Ta, and Cu to analyze the variant selections for phase transformation or twinning or both in BCC and FCC systems. In addition, the VirTex analysis is able to characterize the phase transformation and twinning variants in nanocrystalline Fe and Ta microstructures. Besides characterizing variants, orientation mapping also provides an accelerated and on-the-fly approach for quantifying twin fractions in MD microstructures.

36 MATERIALS SCIENCE↗

Tailoring ductile-phase toughened tungsten hierarchical microstructures for plasma-facing materials

Biological materials, such as bones, nacre, etc., have been found to show attractive and unique combinations of stiffness, strength and fracture toughness. Research has been conducted in various engineering areas to mimic the naturally hierarchical microstructures or nanostructures of these materials to produce materials with optimum stiffness, high strength and fracture toughness for their intended structural applications. In the same objective, this work applies a multiscale microstructural approach recently developed to investigate the deformation and fracture behavior of ductile phase toughened tungsten (W) materials such as tungsten-nickel/iron (W-Ni/Fe) composites that possess lamellar-like and hierarchical “brick-and-mortar” (BAM) microstructures. First, the approach is used to simulate tensile loading of W-Ni/Fe specimens cut out from hot-rolled W-Ni/Fe plates which possess lamellar-like microstructures. The finite element model of the gage section of the specimen consists of a W-Ni/Fe dual-phase microstructural domain in which the constitutive behaviors of W and Ni/Fe phases are described by an elastic-plastic damage model. The predicted material stress-strain response and crack pattern development as a function of loading are then compared to the corresponding experimental results to determine the constitutive model parameters for W and Ni/Fe. Subsequently, the model parameters are used to analyze W-Ni/Fe BAM microstructures that are artificially created to investigate the effects of microstructural features and morphologies on the composite stress-strain response, damage, and fracture patterns. The modeling shows that regular BAM microstructures that experience bridging mechanism combined with crack penetration across W-phase regions exhibit significantly higher strengths than the rather random lamellar-like microstructures. More significantly, however adjusting the brick’s length-to-height ratio, the BAM microstructure can be designed to allow a more distributed damage zone which leads to increased strength, ductility and fracture energy.

36 MATERIALS SCIENCE↗

Tensile deformation behavior of twist grain boundaries in CoCrFeMnNi high entropy alloy bicrystals

High entropy alloys (HEA) are a class of materials that consist of multiple elemental species in similar concentrations. The use of elements in far from dilute concentrations introduces a multi-dimensional composition design space by which the properties of metallic systems can be tailored. While the mechanical behavior of HEAs has been the subject of active research recently, the role of grain boundaries (GBs) in their deformation behavior remains poorly understood. Motivated by recent experiments on HEAs demonstrating that GBs act as nucleation sites for deformation twins, herein, we leverage atomistic simulations to construct a series of equiatomic CoCrFeMnNi HEA bicrystals with $\langle 110 \rangle$ and $\langle 111 \rangle$ symmetric twist GBs and examine their tensile behavior and underlying deformation mechanisms at 77 K. Simulation results reveal that plastic deformation proceeds by the nucleation of partial dislocations from GBs, which then grow with further loading by bowing into the bulk crystals leaving behind stacking faults. Variations in the nucleation stress exist as function of GB character, defined in this work by the twist angle. Our results provide future avenues to explore GBs as a microstructure design tool to develop HEAs with tailored properties.

36 MATERIALS SCIENCE↗

plastic-abm [SWR 23-74]

The plastic agent-based model (ABM) built with the MESA python library simulates agents decisions to recycle plastic waste according to an extended version of the theory of planned behavior.

Walzberg, Julien↗

Nonlinear analysis of structures

The development of nonlinear analysis techniques within the framework of the finite-element method is reported. Although the emphasis is concerned with those nonlinearities associated with material behavior, a general treatment of geometric nonlinearity, alone or in combination with plasticity is included, and applications presented for a class of problems categorized as axisymmetric shells of revolution. The scope of the nonlinear analysis capabilities includes: (1) a membrane stress analysis, (2) bending and membrane stress analysis, (3) analysis of thick and thin axisymmetric bodies of revolution, (4) a general three dimensional analysis, and (5) analysis of laminated composites. Applications of the methods are made to a number of sample structures. Correlation with available analytic or experimental data range from good to excellent.

Armen, H., Jr.↗

Investigation of creep by use of closed loop servo-hydraulic test system

Creep tests were conducted by means of a closed loop servo-controlled materials test system. These tests are different from the conventional creep tests in that the strain history prior to creep may be carefully monitored. Tests were performed for aluminum alloy 6061-0 at 150 C and monitored by a PDP 11/04 minicomputer at a preset constant plastic-strain rate prehistory. The results show that the plastic-strain rate prior to creep plays a significant role in creep behavior. The endochronic theory of viscoplasticity was applied to describe the observed creep curves. The concepts of intrinsic time and strain rate sensitivity function are employed and modified according to the present observation.

Wu, H. C.↗

Parallel processors and nonlinear structural dynamics algorithms and software

A nonlinear structural dynamics finite element program was developed to run on a shared memory multiprocessor with pipeline processors. The program, WHAMS, was used as a framework for this work. The program employs explicit time integration and has the capability to handle both the nonlinear material behavior and large displacement response of 3-D structures. The elasto-plastic material model uses an isotropic strain hardening law which is input as a piecewise linear function. Geometric nonlinearities are handled by a corotational formulation in which a coordinate system is embedded at the integration point of each element. Currently, the program has an element library consisting of a beam element based on Euler-Bernoulli theory and trianglar and quadrilateral plate element based on Mindlin theory.

Belytschko, Ted↗

Mechanisms of fatigue crack retardation following single tensile overloads in powder metallurgy aluminum alloys

In ingot metallurgy (IM) alloys, the number of delay cycles following a single tensile overload typically increases from a minimum at an intermediate baseline stress intensity range, Delta-K(B), with decreasing Delta-K(B) approaching threshold and increasing Delta-K(B) approaching unstable fracture to produce a characteristic 'U' shaped curve. Two models have been proposed to explain this behavior. One model is based on the interaction between roughness and plasticity-induced closure, while the other model only utilizes plasticity-induced closure. This article examines these models, using experimental results from constant amplitude and single overload fatigue tests performed on two powder metallurgy (PM) aluminum alloys, AL-905XL and AA 8009. The results indicate that the 'U'-shaped curve is primarily due to plasticity-induced closure, and that the plasticity-induced retardation effect is through-thickness in nature, occurring in both the surface and interior regions. However, the retardation effect is greater at the surface, because the increase in plastic strain at the crack tip and overload plastic zone size are larger in the plane-stress surface regions than in the plane-strain interior regions. These results are not entirely consistent with either of the proposed models.

Bray, G. H.↗

A fracture criterion for widespread cracking in thin-sheet aluminum alloys

An elastic-plastic finite-element analysis was used with a critical crack-tip-opening angle (CTOA) fracture criterion to model stable crack growth in thin-sheet 2024-T3 aluminum alloy panels with single and multiple-site damage (MSD) cracks. Comparisons were made between critical angles determined from the analyses and those measured with photographic methods. Calculated load against crack extension and load against crack-tip displacement on single crack specimens agreed well with test data even for large-scale plastic deformations. The analyses were also able to predict the stable tearing behavior of large lead cracks in the presence of stably tearing MSD cracks. Small MSD cracks significantly reduced the residual strength for large lead cracks.

Newman, J. C., Jr.↗

Current capabilities for simulating the extreme distortion of thin structures subjected to severe impacts

The explicit transient dynamics technology in use today for simulating the impact and subsequent transient dynamic response of a structure has its origins in the 'hydrocodes' dating back to the late 1940's. The growth in capability in explicit transient dynamics technology parallels the growth in speed and size of digital computers. Computer software for simulating the explicit transient dynamic response of a structure is characterized by algorithms that use a large number of small steps. In explicit transient dynamics software there is a significant emphasis on speed and simplicity. The finite element technology used to generate the spatial discretization of a structure is based on a compromise between completeness of the representation for the physical processes modelled and speed in execution. That is, since it is expected in every calculation that the deformation will be finite and the material will be strained beyond the elastic range, the geometry and the associated gradient operators must be reconstructed, as well as complex stress-strain models evaluated at every time step. As a result, finite elements derived for explicit transient dynamics software use the simplest and barest constructions possible for computational efficiency while retaining an essential representation of the physical behavior. The best example of this technology is the four-node bending quadrilateral derived by Belytschko, Lin and Tsay. Today, the speed, memory capacity and availability of computer hardware allows a number of the previously used algorithms to be 'improved.' That is, it is possible with today's computing hardware to modify many of the standard algorithms to improve their representation of the physical process at the expense of added complexity and computational effort. The purpose is to review a number of these algorithms and identify the improvements possible. In many instances, both the older, faster version of the algorithm and the improved and somewhat slower version of the algorithm are found implemented together in software. Specifically, the following seven algorithmic items are examined: the invariant time derivatives of stress used in material models expressed in rate form; incremental objectivity and strain used in the numerical integration of the material models; the use of one-point element integration versus mean quadrature; shell elements used to represent the behavior of thin structural components; beam elements based on stress-resultant plasticity versus cross-section integration; the fidelity of elastic-plastic material models in their representation of ductile metals; and the use of Courant subcycling to reduce computational effort.

Key, Samuel W.↗

On the measurement of the crack tip stress field as a means of determining Delta K(sub eff) under conditions of fatigue crack closure

The optical method of caustics has been successfully extended to enable stress intensity factors as low as 1MPa square root of m to be determined accurately for central fatigue cracks in 2024-T3 aluminium alloy test panels. The feasibility of using this technique to study crack closure, and to determine the effective stress intensity factor range, Delta K(sub eff), has been investigated. Comparisons have been made between the measured values of stress intensity factor, K(sub caus), and corresponding theoretical values, K(sub theo), for a range of fatigue cracks grown under different loading conditions. The values of K(sub caus) and K(sub theo) were in good agreement at maximum stress, where the cracks are fully open, while K(sub caus) exceeded K(sub theo) at minimum stress, due to crack closure. However, the levels of crack closure and values of Delta K(sub eff) obtained could not account for the variations of crack growth rate with loading conditions. It is concluded that the values of Delta K(sub eff), based on caustic measurements in a 1/square root of r stress field well outside the plastic zone, do not fully reflect local conditions which control crack tip behavior.

Wallhead, Ian R.↗

Uncertainty Quantification of Fatigue Behavior of Rough AM Surfaces and Microstructures to Enable Hydrogen Gas Turbine Combustion

Modification of fossil-fueled industrial gas turbines to accept no/low carbon fuels (Hydrogen, H2/natural gas blends) is a significant undertaking. Successful deployment of this technology sits at the intersection of three design criteria (1) new functional fuel injectors that can burn these fuels, (2) manufacturability to meet cost and time-to-market targets, and (3) durability in the harsh environment of an operating turbine. Additive manufacturing (AM) provides accelerated product development. However, uncertainty remains around the durability of parts with rough AM surfaces. A fully experimental approach towards quantifying fatigue performance of rough AM microstructures is costly and laborious. Instead, Solar Turbines Incorporated (Solar) proposes the use of a crystal plasticity finite element (CPFE) model to quantify the factors that drive AM surface fatigue behavior. Solar will use the CPFE results, along with targeted experimental data, to train a computationally efficient surrogate model that can be incorporated into existing turbine part lifing methods.

08 HYDROGEN↗

A predictive discrete-continuum multiscale model of plasticity with quantified uncertainty

Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of uncertainty in the computational predictions delivered by them. In this work, a sequential multiscale model has been developed, incorporating discrete dislocation dynamics (DDD) simulations and a strain gradient plasticity (SGP) model to predict the size effect in plastic deformations of metallic micro-pillars. The DDD simulations include uniaxial compression of micro-pillars with different sizes and over a wide range of initial dislocation densities and spatial distributions of dislocations. An SGP model is employed at the continuum level that accounts for the size-dependency of flow stress and hardening rate. Sequences of uncertainty analyses have been performed to assess the predictive capability of the multiscale model. The variance-based global sensitivity analysis determines the effect of parameter uncertainty on the SGP model prediction. The multiscale model is then constructed by calibrating the continuum model using the data furnished by the DDD simulations. A Bayesian calibration method is implemented to quantify the uncertainty due to microstructural randomness in discrete dislocation simulations (density and spatial distribution of dislocations) on the macroscopic continuum model prediction (size effect in plastic deformation). Here, the outcomes of this study indicate that the discrete-continuum multiscale model can accurately simulate the plastic deformation of micro-pillars, despite the significant uncertainty in the DDD results. Additionally, depending on the macroscopic features represented by the DDD simulations, the SGP model can reliably predict the size effect in plasticity responses of the micropillars with below 10% of error.

36 MATERIALS SCIENCE↗