Nonlinearity and Strain-Rate Dependence in the Deformation Response of Polymer Matrix Composites Modeled

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.

2000-01-01

There has been no accurate procedure for modeling the high-speed impact of composite materials, but such an analytical capability will be required in designing reliable lightweight engine-containment systems. The majority of the models in use assume a linear elastic material response that does not vary with strain rate. However, for containment systems, polymer matrix composites incorporating ductile polymers are likely to be used. For such a material, the deformation response is likely to be nonlinear and to vary with strain rate. An analytical model has been developed at the NASA Glenn Research Center at Lewis Field that incorporates both of these features. A set of constitutive equations that was originally developed to analyze the viscoplastic deformation of metals (Ramaswamy-Stouffer equations) was modified to simulate the nonlinear, rate-dependent deformation of polymers. Specifically, the effects of hydrostatic stresses on the inelastic response, which can be significant in polymers, were accounted for by a modification of the definition of the effective stress. The constitutive equations were then incorporated into a composite micromechanics model based on the mechanics of materials theory. This theory predicts the deformation response of a composite material from the properties and behavior of the individual constituents. In this manner, the nonlinear, rate-dependent deformation response of a polymer matrix composite can be predicted.

Development of a Pressure-Dependent Constitutive Model with Combined Multilinear Kinematic and Isotropic Hardening

NASA Technical Reports Server (NTRS)

Allen Phillip A.; Wilson, Christopher D.

2003-01-01

The development of a pressure-dependent constitutive model with combined multilinear kinematic and isotropic hardening is presented. The constitutive model is developed using the ABAQUS user material subroutine (UMAT). First the pressure-dependent plasticity model is derived. Following this, the combined bilinear and combined multilinear hardening equations are developed for von Mises plasticity theory. The hardening rule equations are then modified to include pressure dependency. The method for implementing the new constitutive model into ABAQUS is given.

Communication—indentation of Li-ion pouch cell: Effect of material homogenization on prediction of internal short circuit

DOE PAGES

Kumar, A.; Kalnaus, Sergiy; Simunovic, Srdjan; ...

2016-09-12

We performed finite element simulations of spherical indentation of Li-ion pouch cells. Our model fully resolves different layers in the cell. The results of the layer resolved models were compared to the models available in the literature that treat the cell as an equivalent homogenized continuum material. Simulations were carried out for different sizes of the spherical indenter. Here, we show that calibration of a failure criterion for the cell in the homogenized model depends on the indenter size, whereas in the layer-resoled model, such dependency is greatly diminished.

Thermal Effects Modeling Developed for Smart Structures

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun

1998-01-01

Applying smart materials in aeropropulsion systems may improve the performance of aircraft engines through a variety of vibration, noise, and shape-control applications. To facilitate the experimental characterization of these smart structures, researchers have been focusing on developing analytical models to account for the coupled mechanical, electrical, and thermal response of these materials. One focus of current research efforts has been directed toward incorporating a comprehensive thermal analysis modeling capability. Typically, temperature affects the behavior of smart materials by three distinct mechanisms: Induction of thermal strains because of coefficient of thermal expansion mismatch 1. Pyroelectric effects on the piezoelectric elements; 2. Temperature-dependent changes in material properties; and 3. Previous analytical models only investigated the first two thermal effects mechanisms. However, since the material properties of piezoelectric materials generally vary greatly with temperature (see the graph), incorporating temperature-dependent material properties will significantly affect the structural deflections, sensory voltages, and stresses. Thus, the current analytical model captures thermal effects arising from all three mechanisms through thermopiezoelectric constitutive equations. These constitutive equations were incorporated into a layerwise laminate theory with the inherent capability to model both the active and sensory response of smart structures in thermal environments. Corresponding finite element equations were formulated and implemented for both the beam and plate elements to provide a comprehensive thermal effects modeling capability.

Indentation mapping revealed poroelastic, but not viscoelastic, properties spanning native zonal articular cartilage.

PubMed

Wahlquist, Joseph A; DelRio, Frank W; Randolph, Mark A; Aziz, Aaron H; Heveran, Chelsea M; Bryant, Stephanie J; Neu, Corey P; Ferguson, Virginia L

2017-12-01

Osteoarthrosis is a debilitating disease affecting millions, yet engineering materials for cartilage regeneration has proven difficult because of the complex microstructure of this tissue. Articular cartilage, like many biological tissues, produces a time-dependent response to mechanical load that is critical to cell's physiological function in part due to solid and fluid phase interactions and property variations across multiple length scales. Recreating the time-dependent strain and fluid flow may be critical for successfully engineering replacement tissues but thus far has largely been neglected. Here, microindentation is used to accomplish three objectives: (1) quantify a material's time-dependent mechanical response, (2) map material properties at a cellular relevant length scale throughout zonal articular cartilage and (3) elucidate the underlying viscoelastic, poroelastic, and nonlinear poroelastic causes of deformation in articular cartilage. Untreated and trypsin-treated cartilage was sectioned perpendicular to the articular surface and indentation was used to evaluate properties throughout zonal cartilage on the cut surface. The experimental results demonstrated that within all cartilage zones, the mechanical response was well represented by a model assuming nonlinear biphasic behavior and did not follow conventional viscoelastic or linear poroelastic models. Additionally, 10% (w/w) agarose was tested and, as anticipated, behaved as a linear poroelastic material. The approach outlined here provides a method, applicable to many tissues and biomaterials, which reveals and quantifies the underlying causes of time-dependent deformation, elucidates key aspects of material structure and function, and that can be used to provide important inputs for computational models and targets for tissue engineering. Elucidating the time-dependent mechanical behavior of cartilage, and other biological materials, is critical to adequately recapitulate native mechanosensory cues for cells. We used microindentation to map the time-dependent properties of untreated and trypsin treated cartilage throughout each cartilage zone. Unlike conventional approaches that combine viscoelastic and poroelastic behaviors into a single framework, we deconvoluted the mechanical response into separate contributions to time-dependent behavior. Poroelastic effects in all cartilage zones dominated the time-dependent behavior of articular cartilage, and a model that incorporates tension-compression nonlinearity best represented cartilage mechanical behavior. These results can be used to assess the success of regeneration and repair approaches, as design targets for tissue engineering, and for development of accurate computational models. Copyright © 2017 Acta Materialia Inc. All rights reserved.

In-air and pressurized water reactor environment fatigue experiments of 316 stainless steel to study the effect of environment on cyclic hardening

NASA Astrophysics Data System (ADS)

Mohanty, Subhasish; Soppet, William K.; Majumdar, Saurindranath; Natesan, Krishnamurti

2016-05-01

Argonne National Laboratory (ANL), under the sponsorship of Department of Energy's Light Water Reactor Sustainability (LWRS) program, is trying to develop a mechanistic approach for more accurate life estimation of LWR components. In this context, ANL has conducted many fatigue experiments under different test and environment conditions on type 316 stainless steel (316 SS) material which is widely used in the US reactors. Contrary to the conventional S ∼ N curve based empirical fatigue life estimation approach, the aim of the present DOE sponsored work is to develop an understanding of the material ageing issues more mechanistically (e.g. time dependent hardening and softening) under different test and environmental conditions. Better mechanistic understanding will help develop computer-based advanced modeling tools to better extrapolate stress-strain evolution of reactor components under multi-axial stress states and hence help predict their fatigue life more accurately. Mechanics-based modeling of fatigue such as by using finite element (FE) tools requires the time/cycle dependent material hardening properties. Presently such time-dependent material hardening properties are hardly available in fatigue modeling literature even under in-air conditions. Getting those material properties under PWR environment, are even harder. Through this work we made preliminary attempt to generate time/cycle dependent stress-strain data both under in-air and PWR water conditions for further study such as for possible development of material models and constitutive relations for FE model implementation. Although, there are open-ended possibility to further improve the discussed test methods and related material estimation techniques we anticipate that the data presented in this paper will help the metal fatigue research community particularly, the researchers who are dealing with mechanistic modeling of metal fatigue such as using FE tools. In this paper the fatigue experiments under different test and environment conditions and related stress-strain results for 316 SS are discussed.

Electromagnetic sunscreen model: design of experiments on particle specifications.

PubMed

Lécureux, Marie; Deumié, Carole; Enoch, Stefan; Sergent, Michelle

2015-10-01

We report a numerical study on sunscreen design and optimization. Thanks to the combined use of electromagnetic modeling and design of experiments, we are able to screen the most relevant parameters of mineral filters and to optimize sunscreens. Several electromagnetic modeling methods are used depending on the type of particles, density of particles, etc. Both the sun protection factor (SPF) and the UVB/UVA ratio are considered. We show that the design of experiments' model should include interactions between materials and other parameters. We conclude that the material of the particles is a key parameter for the SPF and the UVB/UVA ratio. Among the materials considered, none is optimal for both. The SPF is also highly dependent on the size of the particles.

Development of a strain rate dependent material model of human cortical bone for computer-aided reconstruction of injury mechanisms.

PubMed

Asgharpour, Zahra; Zioupos, Peter; Graw, Matthias; Peldschus, Steffen

2014-03-01

Computer-aided methods such as finite-element simulation offer a great potential in the forensic reconstruction of injury mechanisms. Numerous studies have been performed on understanding and analysing the mechanical properties of bone and the mechanism of its fracture. Determination of the mechanical properties of bones is made on the same basis used for other structural materials. The mechanical behaviour of bones is affected by the mechanical properties of the bone material, the geometry, the loading direction and mode and of course the loading rate. Strain rate dependency of mechanical properties of cortical bone has been well demonstrated in literature studies, but as many of these were performed on animal bones and at non-physiological strain rates it is questionable how these will apply in the human situations. High strain-rates dominate in a lot of forensic applications in automotive crashes and assault scenarios. There is an overwhelming need to a model which can describe the complex behaviour of bone at lower strain rates as well as higher ones. Some attempts have been made to model the viscoelastic and viscoplastic properties of the bone at high strain rates using constitutive mathematical models with little demonstrated success. The main objective of the present study is to model the rate dependent behaviour of the bones based on experimental data. An isotropic material model of human cortical bone with strain rate dependency effects is implemented using the LS-DYNA material library. We employed a human finite element model called THUMS (Total Human Model for Safety), developed by Toyota R&D Labs and the Wayne State University, USA. The finite element model of the human femur is extracted from the THUMS model. Different methods have been employed to develop a strain rate dependent material model for the femur bone. Results of one the recent experimental studies on human femur have been employed to obtain the numerical model for cortical femur. A forensic application of the model is explained in which impacts to the arm have been reconstructed using the finite element model of THUMS. The advantage of the numerical method is that a wide range of impact conditions can be easily reconstructed. Impact velocity has been changed as a parameter to find the tolerance levels of injuries to the lower arm. The method can be further developed to study the assaults and the injury mechanism which can lead to severe traumatic injuries in forensic cases. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

A semi-empirical model for the complete orientation dependence of the growth rate for vapor phase epitaxy - Chloride VPE of GaAs

NASA Technical Reports Server (NTRS)

Seidel-Salinas, L. K.; Jones, S. H.; Duva, J. M.

1992-01-01

A semi-empirical model has been developed to determine the complete crystallographic orientation dependence of the growth rate for vapor phase epitaxy (VPE). Previous researchers have been able to determine this dependence for a limited range of orientations; however, our model yields relative growth rate information for any orientation. This model for diamond and zincblende structure materials is based on experimental growth rate data, gas phase diffusion, and surface reactions. Data for GaAs chloride VPE is used to illustrate the model. The resulting growth rate polar diagrams are used in conjunction with Wulff constructions to simulate epitaxial layer shapes as grown on patterned substrates. In general, this model can be applied to a variety of materials and vapor phase epitaxy systems.

General Multimechanism Reversible-Irreversible Time-Dependent Constitutive Deformation Model Being Developed

NASA Technical Reports Server (NTRS)

Saleeb, A. F.; Arnold, Steven M.

2001-01-01

Since most advanced material systems (for example metallic-, polymer-, and ceramic-based systems) being currently researched and evaluated are for high-temperature airframe and propulsion system applications, the required constitutive models must account for both reversible and irreversible time-dependent deformations. Furthermore, since an integral part of continuum-based computational methodologies (be they microscale- or macroscale-based) is an accurate and computationally efficient constitutive model to describe the deformation behavior of the materials of interest, extensive research efforts have been made over the years on the phenomenological representations of constitutive material behavior in the inelastic analysis of structures. From a more recent and comprehensive perspective, the NASA Glenn Research Center in conjunction with the University of Akron has emphasized concurrently addressing three important and related areas: that is, 1) Mathematical formulation; 2) Algorithmic developments for updating (integrating) the external (e.g., stress) and internal state variables; 3) Parameter estimation for characterizing the model. This concurrent perspective to constitutive modeling has enabled the overcoming of the two major obstacles to fully utilizing these sophisticated time-dependent (hereditary) constitutive models in practical engineering analysis. These obstacles are: 1) Lack of efficient and robust integration algorithms; 2) Difficulties associated with characterizing the large number of required material parameters, particularly when many of these parameters lack obvious or direct physical interpretations.

A Viscoplastic Constitutive Theory for Monolithic Ceramic Materials. Series 1

NASA Technical Reports Server (NTRS)

Janosik, Lesley A.; Duffy, Stephen F.

1997-01-01

With increasing use of ceramic materials in high temperature structural applications such as advanced heat engine components, the need arises to accurately predict thermomechanical behavior. This paper, which is the first of two in a series, will focus on inelastic deformation behavior associated with these service conditions by providing an overview of a viscoplastic constitutive model that accounts for time-dependent hereditary material deformation (e.g., creep, stress relaxation, etc.) in monolithic structural ceramics. Early work in the field of metal plasticity indicated that inelastic deformations are essentially unaffected by hydrostatic stress. This is not the case, however, for ceramic-based material systems, unless the ceramic is fully dense. The theory presented here allows for fully dense material behavior as a limiting case. In addition, ceramic materials exhibit different time-dependent behavior in tension and compression. Thus, inelastic deformation models for ceramics must be constructed in a fashion that admits both sensitivity to hydrostatic stress and differing behavior in tension and compression. A number of constitutive theories for materials that exhibit sensitivity to the hydrostatic component of stress have been proposed that characterize deformation using time-independent classical plasticity as a foundation. However, none of these theories allow different behavior in tension and compression. In addition, these theories are somewhat lacking in that they are unable to capture creep, relaxation, and rate-sensitive phenomena exhibited by ceramic materials at high temperature. When subjected to elevated service temperatures, ceramic materials exhibit complex thermomechanical behavior that is inherently time-dependent, and hereditary in the sense that current behavior depends not only on current conditions, but also on thermo-mechanical history. The objective of this work is to present the formulation of a macroscopic continuum theory that captures these time-dependent phenomena. Specifically, the overview contained in this paper focuses on the multiaxial derivation of the constitutive model, and examines the scalar threshold function and its attending geometrical implications.

Hot-carrier trap-limited transport in switching chalcogenides

NASA Astrophysics Data System (ADS)

Piccinini, Enrico; Cappelli, Andrea; Buscemi, Fabrizio; Brunetti, Rossella; Ielmini, Daniele; Rudan, Massimo; Jacoboni, Carlo

2012-10-01

Chalcogenide materials have received great attention in the last decade owing to their application in new memory systems. Recently, phase-change memories have, in fact, reached the early stages of production. In spite of the industrial exploitation of such materials, the physical processes governing the switching mechanism are still debated. In this paper, we work out a complete and consistent model for transport in amorphous chalcogenide materials based on trap-limited conduction accompanied by carrier heating. A previous model is here extended to include position-dependent carrier concentration and field, consistently linked by the Poisson equation. The results of the new model reproduce the experimental electrical characteristics and their dependences on the device length and temperature. Furthermore, the model provides a sound physical interpretation of the switching phenomenon and is able to give an estimate of the threshold condition in terms of the material parameters, a piece of information of great technological interest.

Predicting Young’s Modulus of Glass/Ceramic Sealant for Solid Oxide Fuel Cell Considering the Combined Effects of Aging, Micro-Voids and Self-Healing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Wenning N.; Sun, Xin; Khaleel, Mohammad A.

We study the temperature dependent Young’s modulus for the glass/ceramic seal material used in Solid Oxide Fuel Cells (SOFCs). With longer heat treatment or aging time during operation, further devitrification may reduce the residual glass content in the seal material while boosting the ceramic crystalline content. In the meantime, micro-voids induced by the cooling process from the high operating temperature to room temperature can potentially degrade the mechanical properties of the glass/ceramic sealant. Upon reheating to the SOFC operating temperature, possible self-healing phenomenon may occur in the glass/ceramic sealant which can potentially restore some of its mechanical properties. A phenomenologicalmore » model is developed to model the temperature dependent Young’s modulus of glass/ceramic seal considering the combined effects of aging, micro-voids, and possible self-healing. An aging-time-dependent crystalline content model is first developed to describe the increase of the crystalline content due to the continuing devitrification under high operating temperature. A continuum damage mechanics (CDM) model is then adapted to model the effects of both cooling induced micro-voids and reheating induced self-healing. This model is applied to model the glass-ceramic G18, a candidate SOFC seal material previously developed at PNNL. Experimentally determined temperature dependent Young’s modulus is used to validate the model predictions« less

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling: Final Technical Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maitra, Neepa

2016-07-14

This project investigates the accuracy of currently-used functionals in time-dependent density functional theory, which is today routinely used to predict and design materials and computationally model processes in solar energy conversion. The rigorously-based electron-ion dynamics method developed here sheds light on traditional methods and overcomes challenges those methods have. The fundamental research undertaken here is important for building reliable and practical methods for materials discovery. The ultimate goal is to use these tools for the computational design of new materials for solar cell devices of high efficiency.

Heat capacities and volumetric changes in the glass transition range: a constitutive approach based on the standard linear solid

NASA Astrophysics Data System (ADS)

Lion, Alexander; Mittermeier, Christoph; Johlitz, Michael

2017-09-01

A novel approach to represent the glass transition is proposed. It is based on a physically motivated extension of the linear viscoelastic Poynting-Thomson model. In addition to a temperature-dependent damping element and two linear springs, two thermal strain elements are introduced. In order to take the process dependence of the specific heat into account and to model its characteristic behaviour below and above the glass transition, the Helmholtz free energy contains an additional contribution which depends on the temperature history and on the current temperature. The model describes the process-dependent volumetric and caloric behaviour of glass-forming materials, and defines a functional relationship between pressure, volumetric strain, and temperature. If a model for the isochoric part of the material behaviour is already available, for example a model of finite viscoelasticity, the caloric and volumetric behaviour can be represented with the current approach. The proposed model allows computing the isobaric and isochoric heat capacities in closed form. The difference c_p -c_v is process-dependent and tends towards the classical expression in the glassy and equilibrium ranges. Simulations and theoretical studies demonstrate the physical significance of the model.

Modeling of indoor radon concentration from radon exhalation rates of building materials and validation through measurements.

PubMed

Kumar, Amit; Chauhan, R P; Joshi, Manish; Sahoo, B K

2014-01-01

Building materials are the second major source of indoor radon after soil. The contribution of building materials towards indoor radon depends upon the radium content and exhalation rates and can be used as a primary index for radon levels in the dwellings. The radon flux data from the building materials was used for calculation of the indoor radon concentrations and doses by many researchers using one and two dimensional model suggested by various researchers. In addition to radium content, the radon wall flux from a surface strongly depends upon the radon diffusion length (L) and thickness of the wall (2d). In the present work the indoor radon concentrations from the measured radon exhalation rate of building materials calculated using different models available in literature and validation of models was made through measurement. The variation in the predicted radon flux from different models was compared with d/L value for wall and roofs of different dwellings. The results showed that the radon concentrations predicted by models agree with experimental value. The applicability of different model with d/L ratio was discussed. The work aims to select a more appropriate and general model among available models in literature for the prediction of indoor radon. Copyright © 2013 Elsevier Ltd. All rights reserved.

Smart material platforms for miniaturized devices: implications in disease models and diagnostics.

PubMed

Verma, Ritika; Adhikary, Rishi Rajat; Banerjee, Rinti

2016-05-24

Smart materials are responsive to multiple stimuli like light, temperature, pH and redox reactions with specific changes in state. Various functionalities in miniaturised devices can be achieved through the application of "smart materials" that respond to changes in their surroundings. The change in state of the materials in the presence of a stimulus may be used for on demand alteration of flow patterns in devices, acting as microvalves, as scaffolds for cellular aggregation or as modalities for signal amplification. In this review, we discuss the concepts of smart trigger responsive materials and their applications in miniaturized devices both for organ-on-a-chip disease models and for point-of-care diagnostics. The emphasis is on leveraging the smartness of these materials for example, to allow on demand sample actuation, ion dependent spheroid models for cancer or light dependent contractility of muscle films for organ-on-a-chip applications. The review throws light on the current status, scope for technological enhancements, challenges for translation and future prospects of increased incorporation of smart materials as integral parts of miniaturized devices.

Skeletal muscle tensile strain dependence: hyperviscoelastic nonlinearity

PubMed Central

Wheatley, Benjamin B; Morrow, Duane A; Odegard, Gregory M; Kaufman, Kenton R; Donahue, Tammy L Haut

2015-01-01

Introduction Computational modeling of skeletal muscle requires characterization at the tissue level. While most skeletal muscle studies focus on hyperelasticity, the goal of this study was to examine and model the nonlinear behavior of both time-independent and time-dependent properties of skeletal muscle as a function of strain. Materials and Methods Nine tibialis anterior muscles from New Zealand White rabbits were subject to five consecutive stress relaxation cycles of roughly 3% strain. Individual relaxation steps were fit with a three-term linear Prony series. Prony series coefficients and relaxation ratio were assessed for strain dependence using a general linear statistical model. A fully nonlinear constitutive model was employed to capture the strain dependence of both the viscoelastic and instantaneous components. Results Instantaneous modulus (p<0.0005) and mid-range relaxation (p<0.0005) increased significantly with strain level, while relaxation at longer time periods decreased with strain (p<0.0005). Time constants and overall relaxation ratio did not change with strain level (p>0.1). Additionally, the fully nonlinear hyperviscoelastic constitutive model provided an excellent fit to experimental data, while other models which included linear components failed to capture muscle function as accurately. Conclusions Material properties of skeletal muscle are strain-dependent at the tissue level. This strain dependence can be included in computational models of skeletal muscle performance with a fully nonlinear hyperviscoelastic model. PMID:26409235

Thermostructural Analysis of Carbon Cloth Phenolic Material Tested at the Laser Hardened Material Evaluation Laboratory

NASA Technical Reports Server (NTRS)

Clayton, J. Louie; Ehle, Curt; Saxon, Jeff (Technical Monitor)

2002-01-01

RSRM nozzle liner components have been analyzed and tested to explore the occurrence of anomalous material performance known as pocketing erosion. Primary physical factors that contribute to pocketing seem to include the geometric permeability, which governs pore pressure magnitudes and hence load, and carbon fiber high temperature tensile strength, which defines a material limiting capability. The study reports on the results of a coupled thermostructural finite element analysis of Carbon Cloth Phenolic (CCP) material tested at the Laser Hardened Material Evaluation Laboratory (the LHMEL facility). Modeled test configurations will be limited to the special case of where temperature gradients are oriented perpendicular to the composite material ply angle. Analyses were conducted using a transient, one-dimensional flow/thermal finite element code that models pore pressure and temperature distributions and in an explicitly coupled formulation, passes this information to a 2-dimensional finite element structural model for determination of the stress/deformation behavior of the orthotropic fiber/matrix CCP. Pore pressures are generated by thermal decomposition of the phenolic resin which evolve as a multi-component gas phase which is partially trapped in the porous microstructure of the composite. The nature of resultant pressures are described by using the Darcy relationships which have been modified to permit a multi-specie mass and momentum balance including water vapor condensation. Solution to the conjugate flow/thermal equations were performed using the SINDA code. Of particular importance to this problem was the implementation of a char and deformation state dependent (geometric) permeability as describing a first order interaction between the flow/thermal and structural models. Material property models are used to characterize the solid phase mechanical stiffness and failure. Structural calculations were performed using the ABAQUS code. Iterations were made between the two codes involving the dependent variables temperature, pressure and across-ply strain level. Model results comparisons are made for three different surface heat rates and dependent variable sensitivities discussed for the various cases.

Experimental identification and mathematical modeling of viscoplastic material behavior

NASA Astrophysics Data System (ADS)

Haupt, P.; Lion, A.

1995-03-01

Uniaxial torsion and biaxial torsion-tension experiments on thin-walled tubes were carried out to investigate the viscoplastic behavior of stainless steel XCrNi18.9. A series of monotonic tests under strain and stress control shows nonlinear rate dependence and suggests the existence of equilibrium states, which are asymptotically approached during relaxation and creep processes. Strain controlled cyclic experiments display various hardening and softening phenomena that depend on strain amplitude and mean strain. All experiments indicate that the equilibrium states within the material depend on the history of the input process, whereas the history-dependence of the relaxation and creep behavior appears less significant. From the experiments the design of a constitutive model of viscoplasticity is motivated: The basic assumption is a decomposition of the total stress into an equilibrium stress and a non-equilibrium overstress: At constant strain, the overstress relaxes to zero, where the relaxation time depends on the overstress in order to account for the nonlinear rate-dependence. The equilibrium stress is assumed to be a rate independent functional of the total strain history. Classical plasticity is utilized with a kinematic hardening rule of the Armstrong-Frederick type. In order to incorporate the amplitude-dependent hardening and softening behavior, a generalized arc length representation is applied [14]. The introduction of an additional kinematic hardening variable facilitates consideration of additional hardening effects resulting from the non-radiality of the input process. Apart from the common yield and loading criterion of classical plasticity, the proposed constitutive model does not contain any further distinction of different cases. The experimental data are sufficient to identify the material parameters of the constitutive model. The results of the identification procedure demonstrate the ability of the model to represent the observed phenomena with satisfactory approximation.

High Strain Rate Deformation Modeling of a Polymer Matrix Composite. Part 2; Composite Micromechanical Model

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Stouffer, Donald C.

1998-01-01

Recently applications have exposed polymer matrix composite materials to very high strain rate loading conditions, requiring an ability to understand and predict the material behavior under these extreme conditions. In this second paper of a two part report, a three-dimensional composite micromechanical model is described which allows for the analysis of the rate dependent, nonlinear deformation response of a polymer matrix composite. Strain rate dependent inelastic constitutive equations utilized to model the deformation response of a polymer are implemented within the micromechanics method. The deformation response of two representative laminated carbon fiber reinforced composite materials with varying fiber orientation has been predicted using the described technique. The predicted results compare favorably to both experimental values and the response predicted by the Generalized Method of Cells, a well-established micromechanics analysis method.

A Multiscale Virtual Fabrication and Lattice Modeling Approach for the Fatigue Performance Prediction of Asphalt Concrete

NASA Astrophysics Data System (ADS)

Dehghan Banadaki, Arash

Predicting the ultimate performance of asphalt concrete under realistic loading conditions is the main key to developing better-performing materials, designing long-lasting pavements, and performing reliable lifecycle analysis for pavements. The fatigue performance of asphalt concrete depends on the mechanical properties of the constituent materials, namely asphalt binder and aggregate. This dependent link between performance and mechanical properties is extremely complex, and experimental techniques often are used to try to characterize the performance of hot mix asphalt. However, given the seemingly uncountable number of mixture designs and loading conditions, it is simply not economical to try to understand and characterize the material behavior solely by experimentation. It is well known that analytical and computational modeling methods can be combined with experimental techniques to reduce the costs associated with understanding and characterizing the mechanical behavior of the constituent materials. This study aims to develop a multiscale micromechanical lattice-based model to predict cracking in asphalt concrete using component material properties. The proposed algorithm, while capturing different phenomena for different scales, also minimizes the need for laboratory experiments. The developed methodology builds on a previously developed lattice model and the viscoelastic continuum damage model to link the component material properties to the mixture fatigue performance. The resulting lattice model is applied to predict the dynamic modulus mastercurves for different scales. A framework for capturing the so-called structuralization effects is introduced that significantly improves the accuracy of the modulus prediction. Furthermore, air voids are added to the model to help capture this important micromechanical feature that affects the fatigue performance of asphalt concrete as well as the modulus value. The effects of rate dependency are captured by implementing the viscoelastic fracture criterion. In the end, an efficient cyclic loading framework is developed to evaluate the damage accumulation in the material that is caused by long-sustained cyclic loads.

Regional Detection of Decoupled Explosions, Yield Estimation from Surface Waves, Two-Dimensional Source Effects, Three-Dimensional Earthquake Modeling and Automated Magnitude Measures

DTIC Science & Technology

1980-07-01

41 3.2 EXPERIMENTAL DETERMINATION OF THE DEPENDENCE OF RAYLEIGH WAVE AMPLITUDE ON PROPERTIES OF THE SOURCE MATERIAL ...Surface Wave Observations ...... ................ 48 3.3.3 Surface Wave Dependence on Source Material Properties ..... ................ .. 51 SYSTEMS...with various aspects of the problem of estimating yield from single station recordings of surface waves. The material in these four summaries has been

Modeling of Abrasion and Crushing of Unbound Granular Materials During Compaction

NASA Astrophysics Data System (ADS)

Ocampo, Manuel S.; Caicedo, Bernardo

2009-06-01

Unbound compacted granular materials are commonly used in engineering structures as layers in road pavements, railroad beds, highway embankments, and foundations. These structures are generally subjected to dynamic loading by construction operations, traffic and wheel loads. These repeated or cyclic loads cause abrasion and crushing of the granular materials. Abrasion changes a particle's shape, and crushing divides the particle into a mixture of many small particles of varying sizes. Particle breakage is important because the mechanical and hydraulic properties of these materials depend upon their grain size distribution. Therefore, it is important to evaluate the evolution of the grain size distribution of these materials. In this paper an analytical model for unbound granular materials is proposed in order to evaluate particle crushing of gravels and soils subjected to cyclic loads. The model is based on a Markov chain which describes the development of grading changes in the material as a function of stress levels. In the model proposed, each particle size is a state in the system, and the evolution of the material is the movement of particles from one state to another in n steps. Each step is a load cycle, and movement between states is possible with a transition probability. The crushing of particles depends on the mechanical properties of each grain and the packing density of the granular material. The transition probability was calculated using both the survival probability defined by Weibull and the compressible packing model developed by De Larrard. Material mechanical properties are considered using the Weibull probability theory. The size and shape of the grains, as well as the method of processing the packing density are considered using De Larrard's model. Results of the proposed analytical model show a good agreement with the experimental tests carried out using the gyratory compaction test.

A Study of Time-dependent and Anisotropic Effects on the Deformation Response of Two Flywheel Designs

NASA Technical Reports Server (NTRS)

Saleeb, Atef F.; Arnold, Steven M.; Al-Zoubi, Nasser R.

2003-01-01

The influence of material time dependency and anisotropy in the context of two specific flywheel designs-preload and multi-directional composite (MDC)--is investigated. In particular, we focus on the following aspects: 1) geometric constraints, 2) material constraints, 3) loading type, and 4) the fundamental character of the time-dependent response, i.e., reversible or irreversible. The bulk of the results presented were obtained using a composite (PMC IM7/8552 at 135 C) material system. The material was characterized using a general multimechanism hereditary (viscoelastoplastic) model. As a general conclusion, the results have clearly shown that both the preload and the MDC rotor designs are significantly affected by time-dependent material behavior, which may impact the state of rotor balance and potentially reduce its operating life. In view of the results of the parametric studies and predictions made in the present study, the need for actual experimentation focusing on the time-dependent behavior of full-scale flywheel rotors is self-evident.

Constitutive model for porous materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weston, A.M.; Lee, E.L.

1982-01-01

A simple pressure versus porosity compaction model is developed to calculate the response of granular porous bed materials to shock impact. The model provides a scheme for calculating compaction behavior when relatively limited material data are available. While the model was developed to study porous explosives and propellants, it has been applied to a much wider range of materials. The early development of porous material models, such as that of Hermann, required empirical dynamic compaction data. Erkman and Edwards successfully applied the early theory to unreacted porous high explosives using a Gruneisen equation of state without yield behavior and withoutmore » trapped gas in the pores. Butcher included viscoelastic rate dependance in pore collapse. The theoretical treatment of Carroll and Holt is centered on the collapse of a circular pore and includes radial inertia terms and a complex set of stress, strain and strain rate constitutive parameters. Unfortunately data required for these parameters are generally not available. The model described here is also centered on the collapse of a circular pore, but utilizes a simpler elastic-plastic static equilibrium pore collapse mechanism without strain rate dependence, or radial inertia terms. It does include trapped gas inside the pore, a solid material flow stress that creates both a yield point and a variation in solid material pressure with radius. The solid is described by a Mie-Gruneisen type EOS. Comparisons show that this model will accurately estimate major mechanical features which have been observed in compaction experiments.« less

Reformulated space-charge-limited current model and its application to disordered organic systems

NASA Astrophysics Data System (ADS)

Woellner, Cristiano F.; Freire, José A.

2011-02-01

We have reformulated a traditional model used to describe the current-voltage dependence of low mobility materials sandwiched between planar electrodes by using the quasi-electrochemical potential as the fundamental variable instead of the local electric field or the local charge carrier density. This allows the material density-of-states to enter explicitly in the equations and dispenses with the need to assume a particular type of contact. The diffusion current is included and as a consequence the current-voltage dependence obtained covers, with increasing bias, the diffusion limited current, the space-charge limited current, and the injection limited current regimes. The generalized Einstein relation and the field and density dependent mobility are naturally incorporated into the formalism; these two points being of particular relevance for disordered organic semiconductors. The reformulated model can be applied to any material where the carrier density and the mobility may be written as a function of the quasi-electrochemical potential. We applied it to the textbook example of a nondegenerate, constant mobility material and showed how a single dimensionless parameter determines the form of the I(V) curve. We obtained integral expressions for the carrier density and for the mobility as a function of the quasi-electrochemical potential for a Gaussianly disordered organic material and found the general form of the I(V) curve for such materials over the full range of bias, showing how the energetic disorder alone can give rise, in the space-charge limited current regime, to an I∝Vn dependence with an exponent n larger than 2.

Material Modeling of Space Shuttle Leading Edge and External Tank Materials For Use in the Columbia Accident Investigation

NASA Technical Reports Server (NTRS)

Carney, Kelly; Melis, Matthew; Fasanella, Edwin L.; Lyle, Karen H.; Gabrys, Jonathan

2004-01-01

Upon the commencement of the analytical effort to characterize the impact dynamics and damage of the Space Shuttle Columbia leading edge due to External Tank insulating foam, the necessity of creating analytical descriptions of these materials became evident. To that end, material models were developed of the leading edge thermal protection system, Reinforced Carbon Carbon (RCC), and a low density polyurethane foam, BX-250. Challenges in modeling the RCC include its extreme brittleness, the differing behavior in compression and tension, and the anisotropic fabric layup. These effects were successfully included in LS-DYNA Material Model 58, *MAT_LAMINATED_ COMPOSITE_ FABRIC. The differing compression and tension behavior was modeled using the available damage parameters. Each fabric layer was given an integration point in the shell element, and was allowed to fail independently. Comparisons were made to static test data and coupon ballistic impact tests before being utilized in the full scale analysis. The foam's properties were typical of elastic automotive foams; and LS-DYNA Material Model 83, *MAT_FU_CHANG_FOAM, was successfully used to model its behavior. Material parameters defined included strain rate dependent stress-strain curves for both loading and un-loading, and for both compression and tension. This model was formulated with static test data and strain rate dependent test data, and was compared to ballistic impact tests on load-cell instrumented aluminum plates. These models were subsequently utilized in analysis of the Shuttle leading edge full scale ballistic impact tests, and are currently being used in the Return to Flight Space Shuttle re-certification effort.

Regularities of Filamentary Channels Formation During Formation of Nanostructured Non-Metallic Inorganic Coatings in Microplasma Galvanostatic Mode in Solutions

NASA Astrophysics Data System (ADS)

Mamaev, A. I.; Mamaeva, V. A.; Kolenchin, N. F.; Chubenko, A. K.; Kovalskaya, Ya. B.; Konstantinova, T. A.; Dolgova, Yu. N.; Beletskaya, E. Yu.

2016-04-01

This paper presents the theoretical models describing the growth of filamentary channels of nanostructured non-metallic coatings formed by anodizing and microplasma oxidation. The authors identified dependences of the number of pores on the coating thickness. The paper presents graphic dependences of the number of filamentary channels on the process time and the coating thickness. These dependences allow calculating through and surface porosity, and in cases, when the pores are filled with functional material, they allow calculating the concentration distribution of this functional material throughout the coating thickness. The theoretical models enhance our understanding of the nature of anode processes and can be used to describe and forecast the growth and filling of porous coatings, so they can also be used to create functional and bioactive materials.

Time dependent fracture and cohesive zones

NASA Technical Reports Server (NTRS)

Knauss, W. G.

1993-01-01

This presentation is concerned with the fracture response of materials which develop cohesive or bridging zones at crack tips. Of special interest are concerns regarding crack stability as a function of the law which governs the interrelation between the displacement(s) or strain across these zones and the corresponding holding tractions. It is found that for some materials unstable crack growth can occur, even before the crack tip has experienced a critical COD or strain across the crack, while for others a critical COD will guarantee the onset of fracture. Also shown are results for a rate dependent nonlinear material model for the region inside of a craze for exploring time dependent crack propagation of rate sensitive materials.

Identification of a thermo-elasto-viscoplastic behavior law for the simulation of thermoforming of high impact polystyrene

NASA Astrophysics Data System (ADS)

Atmani, O.; Abbès, B.; Abbès, F.; Li, Y. M.; Batkam, S.

2018-05-01

Thermoforming of high impact polystyrene sheets (HIPS) requires technical knowledge on material behavior, mold type, mold material, and process variables. Accurate thermoforming simulations are needed in the optimization process. Determining the behavior of the material under thermoforming conditions is one of the key parameters for an accurate simulation. The aim of this work is to identify the thermomechanical behavior of HIPS in the thermoforming conditions. HIPS behavior is highly dependent on temperature and strain rate. In order to reproduce the behavior of such material, a thermo-elasto-viscoplastic constitutive law was implement in the finite element code ABAQUS. The proposed model parameters are considered as thermo-dependent. The strain-dependence effect is introduced using Prony series. Tensile tests were carried out at different temperatures and strain rates. The material parameters were then identified using a NSGA-II algorithm. To validate the rheological model, experimental blowing tests were carried out on a thermoforming pilot machine. To compare the numerical results with the experimental ones the thickness distribution and the bubble shape were investigated.

An exact solution for the history-dependent material and delamination behavior of laminated plates subjected to cylindrical bending

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williams, Todd O

2009-01-01

The exact solution for the history-dependent behavior of laminated plates subjected to cylindrical bending is presented. The solution represents the extension of Pagano's solution to consider arbitrary types of constitutive behaviors for the individual lamina as well as arbitrary types of cohesive zones models for delamination behavior. Examples of the possible types of material behavior are plasticity, viscoelasticity, viscoplasticity, and damaging. Examples of possible CZMs that can be considered are linear, nonlinear hardening, as well as nonlinear with softening. The resulting solution is intended as a benchmark solution for considering the predictive capabilities of different plate theories. Initial results aremore » presented for several types of history-dependent material behaviors. It is shown that the plate response in the presence of history-dependent behaviors can differ dramatically from the elastic response. These results have strong implications for what constitutes an appropriate plate theory for modeling such behaviors.« less

Determination of Strain Rate Sensitivity of Micro-struts Manufactured Using the Selective Laser Melting Method

NASA Astrophysics Data System (ADS)

Gümrük, Recep; Mines, R. A. W.; Karadeniz, Sami

2018-03-01

Micro-lattice structures manufactured using the selective laser melting (SLM) process provides the opportunity to realize optimal cellular materials for impact energy absorption. In this paper, strain rate-dependent material properties are measured for stainless steel 316L SLM micro-lattice struts in the strain rate range of 10-3 to 6000 s-1. At high strain rates, a novel version of the split Hopkinson Bar has been developed. Strain rate-dependent materials data have been used in Cowper-Symonds material model, and the scope and limit of this model in the context of SLM struts have been discussed. Strain rate material data and the Cowper-Symonds model have been applied to the finite element analysis of a micro-lattice block subjected to drop weight impact loading. The model output has been compared to experimental results, and it has been shown that the increase in crush stress due to impact loading is mainly the result of strain rate material behavior. Hence, a systematic methodology has been developed to investigate the impact energy absorption of a micro-lattice structure manufactured using additive layer manufacture (SLM). This methodology can be extended to other micro-lattice materials and configurations, and to other impact conditions.

Crash simulation of hybrid structures considering the stress and strain rate dependent material behavior of thermoplastic materials

NASA Astrophysics Data System (ADS)

Hopmann, Ch.; Schöngart, M.; Weber, M.; Klein, J.

2015-05-01

Thermoplastic materials are more and more used as a light weight replacement for metal, especially in the automotive industry. Since these materials do not provide the mechanical properties, which are required to manufacture supporting elements like an auto body or a cross bearer, plastics are combined with metals in so called hybrid structures. Normally, the plastics components are joined to the metal structures using different technologies like welding or screwing. Very often, the hybrid structures are made of flat metal parts, which are stiffened by a reinforcement structure made of thermoplastic materials. The loads on these structures are very often impulsive, for example in the crash situation of an automobile. Due to the large stiffness variation of metal and thermoplastic materials, complex states of stress and very high local strain rates occur in the contact zone under impact conditions. Since the mechanical behavior of thermoplastic materials is highly dependent on these types of load, the crash failure of metal plastic hybrid parts is very complex. The problem is that the normally used strain rate dependent elastic/plastic material models are not capable to simulate the mechanical behavior of thermoplastic materials depended on the state of stress. As part of a research project, a method to simulate the mechanical behavior of hybrid structures under impact conditions is developed at the IKV. For this purpose, a specimen for the measurement of mechanical properties dependet on the state of stress and a method for the strain rate depended characterization of thermoplastic materials were developed. In the second step impact testing is performed. A hybrid structure made from a metal sheet and a reinforcement structure of a Polybutylenterephthalat Polycarbonate blend is tested under impact conditions. The measured stress and strain rate depended material data are used to simulate the mechanical behavior of the hybrid structure under highly dynamic load with impact velocities up to 5 m/s. The mechanical behavior of the plastics structure is simulated using a quadratic yield surface, which takes the state of stress and the strain rate into account. The FE model is made from mid surface elements to reduce the computing time.

Digital Materials - Evaluation of the Possibilities of using Selected Hyperelastic Models to Describe Constitutive Relations

NASA Astrophysics Data System (ADS)

Mańkowski, J.; Lipnicki, J.

2017-08-01

The authors tried to identify the parameters of numerical models of digital materials, which are a kind of composite resulting from the manufacture of the product in 3D printers. With the arrangement of several heads of the printer, the new material can result from mixing of materials with radically different properties, during the process of producing single layer of the product. The new material has properties dependent on the base materials properties and their proportions. Digital materials tensile characteristics are often non-linear and qualify to be described by hyperelastic materials models. The identification was conducted based on the results of tensile tests models, its various degrees coefficients of the polynomials to various degrees coefficients of the polynomials. The Drucker's stability criterion was also examined. Fourteen different materials were analyzed.

Modeling Issues and Results for Hydrogen Isotopes in NIF Materials

NASA Astrophysics Data System (ADS)

Grossman, Arthur A.; Doerner, R. P.; Luckhardt, S. C.; Seraydarian, R.; Sze, D.; Burnham, A.

1998-11-01

The TMAP4 (G. Longhurst, et al. INEL 1992) model of hydrogen isotope transport in solid materials includes a particle diffusion calculation with Fick's Law modified for Soret Effect (Thermal Diffusion or Thermomigration), coupled to heat transport calculations which are needed because of the strong temperature dependence of diffusivity. These TMAP4 calculations applied to NIF show that high temperatures approaching the melting point and strong thermal gradients of 10^6 K/cm are reached in the first micron of wall material during the SXR pulse. These strong thermal gradients can drive hydrogen isotope migration up or down the thermal gradient depending on the sign of the heat of transport (Soret coefficient) which depends on whether the material dissolves hydrogen endothermically or exothermically. Two candidates for NIF wall material-boron carbide and stainless steel are compared. Boron carbide dissolves hydrogen exothermically so it may drive Soret migration down the thermal gradient deeper into the material, although the thermal gradient is not as large and hydrogen is not as mobile as in stainless steel. Stainless steel dissolves hydrogen endothermically, with a negative Soret coefficient which can drive hydrogen up the thermal gradient and out of the wall.

A unified dislocation density-dependent physical-based constitutive model for cold metal forming

NASA Astrophysics Data System (ADS)

Schacht, K.; Motaman, A. H.; Prahl, U.; Bleck, W.

2017-10-01

Dislocation-density-dependent physical-based constitutive models of metal plasticity while are computationally efficient and history-dependent, can accurately account for varying process parameters such as strain, strain rate and temperature; different loading modes such as continuous deformation, creep and relaxation; microscopic metallurgical processes; and varying chemical composition within an alloy family. Since these models are founded on essential phenomena dominating the deformation, they have a larger range of usability and validity. Also, they are suitable for manufacturing chain simulations since they can efficiently compute the cumulative effect of the various manufacturing processes by following the material state through the entire manufacturing chain and also interpass periods and give a realistic prediction of the material behavior and final product properties. In the physical-based constitutive model of cold metal plasticity introduced in this study, physical processes influencing cold and warm plastic deformation in polycrystalline metals are described using physical/metallurgical internal variables such as dislocation density and effective grain size. The evolution of these internal variables are calculated using adequate equations that describe the physical processes dominating the material behavior during cold plastic deformation. For validation, the model is numerically implemented in general implicit isotropic elasto-viscoplasticity algorithm as a user-defined material subroutine (UMAT) in ABAQUS/Standard and used for finite element simulation of upsetting tests and a complete cold forging cycle of case hardenable MnCr steel family.

Determining Experimental Parameters for Thermal-Mechanical Forming Simulation considering Martensite Formation in Austenitic Stainless Steel

NASA Astrophysics Data System (ADS)

Schmid, Philipp; Liewald, Mathias

2011-08-01

The forming behavior of metastable austenitic stainless steel is mainly dominated by the temperature-dependent TRIP effect (transformation induced plasticity). Of course, the high dependency of material properties on the temperature level during forming means the temperature must be considered during the FE analysis. The strain-induced formation of α'-martensite from austenite can be represented by using finite element programs utilizing suitable models such as the Haensel-model. This paper discusses the determination of parameters for a completely thermal-mechanical forming simulation in LS-DYNA based on the material model of Haensel. The measurement of the martensite evolution in non-isothermal tensile tests was performed with metastable austenitic stainless steel EN 1.4301 at different rolling directions between 0° and 90 °. This allows an estimation of the influence of the rolling direction to the martensite formation. Of specific importance is the accuracy of the martensite content measured by magnetic induction methods (Feritscope). The observation of different factors, such as stress dependence of the magnetisation, blank thickness and numerous calibration curves discloses a substantial important influence on the parameter determination for the material models. The parameters obtained for use of Haensel model and temperature-dependent friction coefficients are used to simulate forming process of a real component and to validate its implementation in the commercial code LS-DYNA.

High Strain Rate Deformation Modeling of a Polymer Matrix Composite. Part 1; Matrix Constitutive Equations

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Stouffer, Donald C.

1998-01-01

Recently applications have exposed polymer matrix composite materials to very high strain rate loading conditions, requiring an ability to understand and predict the material behavior under these extreme conditions. In this first paper of a two part report, background information is presented, along with the constitutive equations which will be used to model the rate dependent nonlinear deformation response of the polymer matrix. Strain rate dependent inelastic constitutive models which were originally developed to model the viscoplastic deformation of metals have been adapted to model the nonlinear viscoelastic deformation of polymers. The modified equations were correlated by analyzing the tensile/ compressive response of both 977-2 toughened epoxy matrix and PEEK thermoplastic matrix over a variety of strain rates. For the cases examined, the modified constitutive equations appear to do an adequate job of modeling the polymer deformation response. A second follow-up paper will describe the implementation of the polymer deformation model into a composite micromechanical model, to allow for the modeling of the nonlinear, rate dependent deformation response of polymer matrix composites.

Power-law viscous materials for analogue experiments: New data on the rheology of highly-filled silicone polymers

NASA Astrophysics Data System (ADS)

Boutelier, D.; Schrank, C.; Cruden, A.

2008-03-01

The selection of appropriate analogue materials is a central consideration in the design of realistic physical models. We investigate the rheology of highly-filled silicone polymers in order to find materials with a power-law strain-rate softening rheology suitable for modelling rock deformation by dislocation creep and report the rheological properties of the materials as functions of the filler content. The mixtures exhibit strain-rate softening behaviour but with increasing amounts of filler become strain-dependent. For the strain-independent viscous materials, flow laws are presented while for strain-dependent materials the relative importance of strain and strain rate softening/hardening is reported. If the stress or strain rate is above a threshold value some highly-filled silicone polymers may be considered linear visco-elastic (strain independent) and power-law strain-rate softening. The power-law exponent can be raised from 1 to ˜3 by using mixtures of high-viscosity silicone and plasticine. However, the need for high shear strain rates to obtain the power-law rheology imposes some restrictions on the usage of such materials for geodynamic modelling. Two simple shear experiments are presented that use Newtonian and power-law strain-rate softening materials. The results demonstrate how materials with power-law rheology result in better strain localization in analogue experiments.

Thermally induced structural transitions in cotton fiber revealed by a finite mixture model of fiber tenacity distribution

USDA-ARS?s Scientific Manuscript database

Much processing of cotton fibrous materials accompanies heat treatments. Despite their critical influence on the properties of the material, the structural responses of cotton fiber to elevated temperatures remain uncertain. This study demonstrated that modeling the temperature dependence of the fib...

Quantum description of light propagation in generalized media

NASA Astrophysics Data System (ADS)

Häyrynen, Teppo; Oksanen, Jani

2016-02-01

Linear quantum input-output relation based models are widely applied to describe the light propagation in a lossy medium. The details of the interaction and the associated added noise depend on whether the device is configured to operate as an amplifier or an attenuator. Using the traveling wave (TW) approach, we generalize the linear material model to simultaneously account for both the emission and absorption processes and to have point-wise defined noise field statistics and intensity dependent interaction strengths. Thus, our approach describes the quantum input-output relations of linear media with net attenuation, amplification or transparency without pre-selection of the operation point. The TW approach is then applied to investigate materials at thermal equilibrium, inverted materials, the transparency limit where losses are compensated, and the saturating amplifiers. We also apply the approach to investigate media in nonuniform states which can be e.g. consequences of a temperature gradient over the medium or a position dependent inversion of the amplifier. Furthermore, by using the generalized model we investigate devices with intensity dependent interactions and show how an initial thermal field transforms to a field having coherent statistics due to gain saturation.

Creep and shrinkage effects on integral abutment bridges

NASA Astrophysics Data System (ADS)

Munuswamy, Sivakumar

Integral abutment bridges provide bridge engineers an economical design alternative to traditional bridges with expansion joints owing to the benefits, arising from elimination of expensive joints installation and reduced maintenance cost. The superstructure for integral abutment bridges is cast integrally with abutments. Time-dependent effects of creep, shrinkage of concrete, relaxation of prestressing steel, temperature gradient, restraints provided by abutment foundation and backfill and statical indeterminacy of the structure introduce time-dependent variations in the redundant forces. An analytical model and numerical procedure to predict instantaneous linear behavior and non-linear time dependent long-term behavior of continuous composite superstructure are developed in which the redundant forces in the integral abutment bridges are derived considering the time-dependent effects. The redistributions of moments due to time-dependent effects have been considered in the analysis. The analysis includes nonlinearity due to cracking of the concrete, as well as the time-dependent deformations. American Concrete Institute (ACI) and American Association of State Highway and Transportation Officials (AASHTO) models for creep and shrinkage are considered in modeling the time dependent material behavior. The variations in the material property of the cross-section corresponding to the constituent materials are incorporated and age-adjusted effective modulus method with relaxation procedure is followed to include the creep behavior of concrete. The partial restraint provided by the abutment-pile-soil system is modeled using discrete spring stiffness as translational and rotational degrees of freedom. Numerical simulation of the behavior is carried out on continuous composite integral abutment bridges and the deformations and stresses due to time-dependent effects due to typical sustained loads are computed. The results from the analytical model are compared with the published laboratory experimental and field data. The behavior of the laterally loaded piles supporting the integral abutments is evaluated and presented in terms of the lateral deflection, bending moment, shear force and stress along the pile depth.

Finite element modeling of truss structures with frequency-dependent material damping

NASA Technical Reports Server (NTRS)

Lesieutre, George A.

1991-01-01

A physically motivated modelling technique for structural dynamic analysis that accommodates frequency dependent material damping was developed. Key features of the technique are the introduction of augmenting thermodynamic fields (AFT) to interact with the usual mechanical displacement field, and the treatment of the resulting coupled governing equations using finite element analysis methods. The AFT method is fully compatible with current structural finite element analysis techniques. The method is demonstrated in the dynamic analysis of a 10-bay planar truss structure, a structure representative of those contemplated for use in future space systems.

Optimized shielding for space radiation protection

NASA Technical Reports Server (NTRS)

Wilson, J. W.; Cucinotta, F. A.; Kim, M. H.; Schimmerling, W.

2001-01-01

Future deep space mission and International Space Station exposures will be dominated by the high-charge and -energy (HZE) ions of the Galactic Cosmic Rays (GCR). A few mammalian systems have been extensively tested over a broad range of ion types and energies. For example, C3H10T1/2 cells, V79 cells, and Harderian gland tumors have been described by various track-structure dependent response models. The attenuation of GCR induced biological effects depends strongly on the biological endpoint, response model used, and material composition. Optimization of space shielding is then driven by the nature of the response model and the transmission characteristics of the given material.

Optimized Shielding for Space Radiation Protection

NASA Technical Reports Server (NTRS)

Wilson, J. W.; Cucinotta, F. A.; Kim, M.-H. Y.; Schimmerling, W.

2000-01-01

Abstract. Future deep space mission and International Space Station exposures will be dominated by the high-charge and -energy (HZE) ions of the Galactic Cosmic Rays (GCR). A few mammalian systems have been extensively tested over a broad range of ion types and energies. For example, C3H10T1/2 cells, V79 cells, and Harderian gland tumors have been described by various track-structure dependent response models. The attenuation of GCR induced biological effects depends strongly on the biological endpoint, response model used, and material composition. Optimization of space shielding is then driven by the nature of the response model and the transmission characteristics of the given material.

A versatile phenomenological model for the S-shaped temperature dependence of photoluminescence energy for an accurate determination of the exciton localization energy in bulk and quantum well structures

NASA Astrophysics Data System (ADS)

Dixit, V. K.; Porwal, S.; Singh, S. D.; Sharma, T. K.; Ghosh, Sandip; Oak, S. M.

2014-02-01

Temperature dependence of the photoluminescence (PL) peak energy of bulk and quantum well (QW) structures is studied by using a new phenomenological model for including the effect of localized states. In general an anomalous S-shaped temperature dependence of the PL peak energy is observed for many materials which is usually associated with the localization of excitons in band-tail states that are formed due to potential fluctuations. Under such conditions, the conventional models of Varshni, Viña and Passler fail to replicate the S-shaped temperature dependence of the PL peak energy and provide inconsistent and unrealistic values of the fitting parameters. The proposed formalism persuasively reproduces the S-shaped temperature dependence of the PL peak energy and provides an accurate determination of the exciton localization energy in bulk and QW structures along with the appropriate values of material parameters. An example of a strained InAs0.38P0.62/InP QW is presented by performing detailed temperature and excitation intensity dependent PL measurements and subsequent in-depth analysis using the proposed model. Versatility of the new formalism is tested on a few other semiconductor materials, e.g. GaN, nanotextured GaN, AlGaN and InGaN, which are known to have a significant contribution from the localized states. A quantitative evaluation of the fractional contribution of the localized states is essential for understanding the temperature dependence of the PL peak energy of bulk and QW well structures having a large contribution of the band-tail states.

3D inelastic analysis methods for hot section components

NASA Technical Reports Server (NTRS)

Dame, L. T.; Chen, P. C.; Hartle, M. S.; Huang, H. T.

1985-01-01

The objective is to develop analytical tools capable of economically evaluating the cyclic time dependent plasticity which occurs in hot section engine components in areas of strain concentration resulting from the combination of both mechanical and thermal stresses. Three models were developed. A simple model performs time dependent inelastic analysis using the power law creep equation. The second model is the classical model of Professors Walter Haisler and David Allen of Texas A and M University. The third model is the unified model of Bodner, Partom, et al. All models were customized for linear variation of loads and temperatures with all material properties and constitutive models being temperature dependent.

Explicit 2-D Hydrodynamic FEM Program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Jerry

1996-08-07

DYNA2D* is a vectorized, explicit, two-dimensional, axisymmetric and plane strain finite element program for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. DYNA2D* contains 13 material models and 9 equations of state (EOS) to cover a wide range of material behavior. The material models implemented in all machine versions are: elastic, orthotropic elastic, kinematic/isotropic elastic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, rubber, high explosive burn, isotropic elastic-plastic, temperature-dependent elastic-plastic. The isotropic and temperature-dependent elastic-plastic models determine only the deviatoric stresses. Pressure is determined by one of 9 equations of state including linear polynomial, JWL highmore » explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, and tabulated.« less

Modeling size effects on the transformation behavior of shape memory alloy micropillars

NASA Astrophysics Data System (ADS)

Peraza Hernandez, Edwin A.; Lagoudas, Dimitris C.

2015-07-01

The size dependence of the thermomechanical response of shape memory alloys (SMAs) at the micro and nano-scales has gained increasing attention in the engineering community due to existing and potential uses of SMAs as solid-state actuators and components for energy dissipation in small scale devices. Particularly, their recent uses in microelectromechanical systems (MEMS) have made SMAs attractive options as active materials in small scale devices. One factor limiting further application, however, is the inability to effectively and efficiently model the observed size dependence of the SMA behavior for engineering applications. Therefore, in this work, a constitutive model for the size-dependent behavior of SMAs is proposed. Experimental observations are used to motivate the extension of an existing thermomechanical constitutive model for SMAs to account for the scale effects. It is proposed that such effects can be captured via characteristic length dependent material parameters in a power-law manner. The size dependence of the transformation behavior of NiFeGa micropillars is investigated in detail and used as model prediction cases. The constitutive model is implemented in a finite element framework and used to simulate and predict the response of SMA micropillars with different sizes. The results show a good agreement with experimental data. A parametric study performed using the calibrated model shows that the influence of micropillar aspect ratio and taper angle on the compression response is significantly smaller than that of the micropillar average diameter. It is concluded that the model is able to capture the size dependent transformation response of the SMA micropillars. In addition, the simplicity of the calibration and implementation of the proposed model make it practical for the design and numerical analysis of small scale SMA components that exhibit size dependent responses.

The Bilinear Product Model of Hysteresis Phenomena

NASA Astrophysics Data System (ADS)

Kádár, György

1989-01-01

In ferromagnetic materials non-reversible magnetization processes are represented by rather complex hysteresis curves. The phenomenological description of such curves needs the use of multi-valued, yet unambiguous, deterministic functions. The history dependent calculation of consecutive Everett-integrals of the two-variable Preisach-function can account for the main features of hysteresis curves in uniaxial magnetic materials. The traditional Preisach model has recently been modified on the basis of population dynamics considerations, removing the non-real congruency property of the model. The Preisach-function was proposed to be a product of two factors of distinct physical significance: a magnetization dependent function taking into account the overall magnetization state of the body and a bilinear form of a single variable, magnetic field dependent, switching probability function. The most important statement of the bilinear product model is, that the switching process of individual particles is to be separated from the book-keeping procedure of their states. This empirical model of hysteresis can easily be extended to other irreversible physical processes, such as first order phase transitions.

A Spatially Continuous Model of Carbohydrate Digestion and Transport Processes in the Colon

PubMed Central

Moorthy, Arun S.; Brooks, Stephen P. J.; Kalmokoff, Martin; Eberl, Hermann J.

2015-01-01

A spatially continuous mathematical model of transport processes, anaerobic digestion and microbial complexity as would be expected in the human colon is presented. The model is a system of first-order partial differential equations with context determined number of dependent variables, and stiff, non-linear source terms. Numerical simulation of the model is used to elucidate information about the colon-microbiota complex. It is found that the composition of materials on outflow of the model does not well-describe the composition of material in other model locations, and inferences using outflow data varies according to model reactor representation. Additionally, increased microbial complexity allows the total microbial community to withstand major system perturbations in diet and community structure. However, distribution of strains and functional groups within the microbial community can be modified depending on perturbation length and microbial kinetic parameters. Preliminary model extensions and potential investigative opportunities using the computational model are discussed. PMID:26680208

Time Dependent Dielectric Breakdown in Copper Low-k Interconnects: Mechanisms and Reliability Models

PubMed Central

Wong, Terence K.S.

2012-01-01

The time dependent dielectric breakdown phenomenon in copper low-k damascene interconnects for ultra large-scale integration is reviewed. The loss of insulation between neighboring interconnects represents an emerging back end-of-the-line reliability issue that is not fully understood. After describing the main dielectric leakage mechanisms in low-k materials (Poole-Frenkel and Schottky emission), the major dielectric reliability models that had appeared in the literature are discussed, namely: the Lloyd model, 1/E model, thermochemical E model, E1/2 models, E2 model and the Haase model. These models can be broadly categorized into those that consider only intrinsic breakdown (Lloyd, 1/E, E and Haase) and those that take into account copper migration in low-k materials (E1/2, E2). For each model, the physical assumptions and the proposed breakdown mechanism will be discussed, together with the quantitative relationship predicting the time to breakdown and supporting experimental data. Experimental attempts on validation of dielectric reliability models using data obtained from low field stressing are briefly discussed. The phenomenon of soft breakdown, which often precedes hard breakdown in porous ultra low-k materials, is highlighted for future research.

A comparative study of the constitutive models for silicon carbide

NASA Astrophysics Data System (ADS)

Ding, Jow-Lian; Dwivedi, Sunil; Gupta, Yogendra

2001-06-01

Most of the constitutive models for polycrystalline silicon carbide were developed and evaluated using data from either normal plate impact or Hopkinson bar experiments. At ISP, extensive efforts have been made to gain detailed insight into the shocked state of the silicon carbide (SiC) using innovative experimental methods, viz., lateral stress measurements, in-material unloading measurements, and combined compression shear experiments. The data obtained from these experiments provide some unique information for both developing and evaluating material models. In this study, these data for SiC were first used to evaluate some of the existing models to identify their strength and possible deficiencies. Motivated by both the results of this comparative study and the experimental observations, an improved phenomenological model was developed. The model incorporates pressure dependence of strength, rate sensitivity, damage evolution under both tension and compression, pressure confinement effect on damage evolution, stiffness degradation due to damage, and pressure dependence of stiffness. The model developments are able to capture most of the material features observed experimentally, but more work is needed to better match the experimental data quantitatively.

A thermomechanical anisotropic model for shock loading of elastic-plastic and elastic-viscoplastic materials with application to jointed rock

DOE PAGES

Rubin, M. B.; Vorobiev, O.; Vitali, E.

2016-04-21

Here, a large deformation thermomechanical model is developed for shock loading of a material that can exhibit elastic and inelastic anisotropy. Use is made of evolution equations for a triad of microstructural vectors m i(i=1,2,3) which model elastic deformations and directions of anisotropy. Specific constitutive equations are presented for a material with orthotropic elastic response. The rate of inelasticity depends on an orthotropic yield function that can be used to model weak fault planes with failure in shear and which exhibits a smooth transition to isotropic response at high compression. Moreover, a robust, strongly objective numerical algorithm is proposed formore » both rate-independent and rate-dependent response. The predictions of the continuum model are examined by comparison with exact steady-state solutions. Also, the constitutive equations are used to obtain a simplified continuum model of jointed rock which is compared with high fidelity numerical solutions that model a persistent system of joints explicitly in the rock medium.« less

Temperature dependence of material gain of InGaAsP/InP nano-heterostructure

NASA Astrophysics Data System (ADS)

Yadav, Rashmi; Alvi, P. A.

2014-04-01

This paper deals with temperature dependent study on material gain of InGaAsP/InP lasing nano-heterostructure with in TE mode. The model is based on simple separate confinement heterostructure (SCH). Material gain for the structure has been simulated for below and above the room temperatures. Different behaviors of the material gain for both ranges of the temperature have been reported in this paper. The results obtained in the simulation of the heterostructures suggest that only the shift in maximum gain takes place that appears at the lasing wavelength ˜ 1.40 μm.

Strain rate dependent hyperelastic stress-stretch behavior of a silica nanoparticle reinforced poly (ethylene glycol) diacrylate nanocomposite hydrogel.

PubMed

Zhan, Yuexing; Pan, Yihui; Chen, Bing; Lu, Jian; Zhong, Zheng; Niu, Xinrui

2017-11-01

Poly (ethylene glycol) diacrylate (PEGDA) derivatives are important biomedical materials. PEGDA based hydrogels have emerged as one of the popular regenerative orthopedic materials. This work aims to study the mechanical behavior of a PEGDA based silica nanoparticle (NP) reinforced nanocomposite (NC) hydrogel at physiological strain rates. The work combines materials fabrication, mechanical experiments, mathematical modeling and structural analysis. The strain rate dependent stress-stretch behaviors were observed, analyzed and quantified. Visco-hyperelasticity was identified as the deformation mechanism of the nano-silica/PEGDA NC hydrogel. NPs showed significant effect on both initial shear modulus and viscoelastic materials properties. A structure-based quasi-linear viscoelastic (QLV) model was constructed and capable to describe the visco-hyperelastic stress-stretch behavior of the NC hydrogel. A group of unified material parameters was extracted by the model from the stress-stretch curves obtained at different strain rates. Visco-hyperelastic behavior of NP/polymer interphase was not only identified but also quantified. The work could provide guidance to the structural design of next-generation NC hydrogel. Copyright © 2017. Published by Elsevier Ltd.

Thermal conductivity of disperse insulation materials and their mixtures

NASA Astrophysics Data System (ADS)

Geža, V.; Jakovičs, A.; Gendelis, S.; Usiļonoks, I.; Timofejevs, J.

2017-10-01

Development of new, more efficient thermal insulation materials is a key to reduction of heat losses and contribution to greenhouse gas emissions. Two innovative materials developed at Thermeko LLC are Izoprok and Izopearl. This research is devoted to experimental study of thermal insulation properties of both materials as well as their mixture. Results show that mixture of 40% Izoprok and 60% of Izopearl has lower thermal conductivity than pure materials. In this work, material thermal conductivity dependence temperature is also measured. Novel modelling approach is used to model spatial distribution of disperse insulation material. Computational fluid dynamics approach is also used to estimate role of different heat transfer phenomena in such porous mixture. Modelling results show that thermal convection plays small role in heat transfer despite large fraction of air within material pores.

Moment Tensor Descriptions for Simulated Explosions of the Source Physics Experiment (SPE)

NASA Astrophysics Data System (ADS)

Yang, X.; Rougier, E.; Knight, E. E.; Patton, H. J.

2014-12-01

In this research we seek to understand damage mechanisms governing the behavior of geo-materials in the explosion source region, and the role they play in seismic-wave generation. Numerical modeling tools can be used to describe these mechanisms through the development and implementation of appropriate material models. Researchers at Los Alamos National Laboratory (LANL) have been working on a novel continuum-based-viscoplastic strain-rate-dependent fracture material model, AZ_Frac, in an effort to improve the description of these damage sources. AZ_Frac has the ability to describe continuum fracture processes, and at the same time, to handle pre-existing anisotropic material characteristics. The introduction of fractures within the material generates further anisotropic behavior that is also accounted for within the model. The material model has been calibrated to a granitic medium and has been applied in a number of modeling efforts under the SPE project. In our modeling, we use a 2D, axisymmetric layered earth model of the SPE site consisting of a weathered layer on top of a half-space. We couple the hydrodynamic simulation code with a seismic simulation code and propagate the signals to distances of up to 2 km. The signals are inverted for time-dependent moment tensors using a modified inversion scheme that accounts for multiple sources at different depths. The inversion scheme is evaluated for its resolving power to determine a centroid depth and a moment tensor description of the damage source. The capabilities of the inversion method to retrieve such information from waveforms recorded on three SPE tests conducted to date are also being assessed.

The time dependence of rock healing as a universal relaxation process, a tutorial

NASA Astrophysics Data System (ADS)

Snieder, Roel; Sens-Schönfelder, Christoph; Wu, Renjie

2017-01-01

The material properties of earth materials often change after the material has been perturbed (slow dynamics). For example, the seismic velocity of subsurface materials changes after earthquakes, and granular materials compact after being shaken. Such relaxation processes are associated by observables that change logarithmically with time. Since the logarithm diverges for short and long times, the relaxation can, strictly speaking, not have a log-time dependence. We present a self-contained description of a relaxation function that consists of a superposition of decaying exponentials that has log-time behaviour for intermediate times, but converges to zero for long times, and is finite for t = 0. The relaxation function depends on two parameters, the minimum and maximum relaxation time. These parameters can, in principle, be extracted from the observed relaxation. As an example, we present a crude model of a fracture that is closing under an external stress. Although the fracture model violates some of the assumptions on which the relaxation function is based, it follows the relaxation function well. We provide qualitative arguments that the relaxation process, just like the Gutenberg-Richter law, is applicable to a wide range of systems and has universal properties.

Calibration and Finite Element Implementation of an Energy-Based Material Model for Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Junker, Philipp; Hackl, Klaus

2016-09-01

Numerical simulations are a powerful tool to analyze the complex thermo-mechanically coupled material behavior of shape memory alloys during product engineering. The benefit of the simulations strongly depends on the quality of the underlying material model. In this contribution, we discuss a variational approach which is based solely on energetic considerations and demonstrate that unique calibration of such a model is sufficient to predict the material behavior at varying ambient temperature. In the beginning, we recall the necessary equations of the material model and explain the fundamental idea. Afterwards, we focus on the numerical implementation and provide all information that is needed for programing. Then, we show two different ways to calibrate the model and discuss the results. Furthermore, we show how this model is used during real-life industrial product engineering.

On the Influence of the Sample Absorptivity when Studying the Thermal Degradation of Materials

PubMed Central

Boulet, Pascal; Brissinger, Damien; Collin, Anthony; Acem, Zoubir; Parent, Gilles

2015-01-01

The change in absorptivity during the degradation process of materials is discussed, and its influence as one of the involved parameters in the degradation models is studied. Three materials with very different behaviors are used for the demonstration of its role: a carbon composite material, which is opaque, almost grey, a plywood slab, which is opaque and spectral-dependent and a clear PMMA slab, which is semitransparent. Data are analyzed for virgin and degraded materials at different steps of thermal degradation. It is seen that absorptivity and emissivity often reach high values in the range of 0.90–0.95 with a near-grey behavior after significant thermal aggression, but depending on the materials of interest, some significant evolution may be first observed, especially during the early stages of the degradation. Supplementary inaccuracy can come from the heterogeneity of the incident flux on the slab. As a whole, discrepancies up to 20% can be observed on the absorbed flux depending on the degradation time, mainly because of the spectral variations of the absorption and up to 10% more, depending on the position on the slab. Simple models with a constant and unique value of absorptivity may then lead to inaccuracies in the evaluation of the radiative flux absorption, with possible consequences on the pyrolysis analysis, especially for properties related to the early step of the degradation process, like the time to ignition, for example. PMID:28793512

On the Influence of the Sample Absorptivity when Studying the Thermal Degradation of Materials.

PubMed

Boulet, Pascal; Brissinger, Damien; Collin, Anthony; Acem, Zoubir; Parent, Gilles

2015-08-21

The change in absorptivity during the degradation process of materials is discussed, and its influence as one of the involved parameters in the degradation models is studied. Three materials with very different behaviors are used for the demonstration of its role: a carbon composite material, which is opaque, almost grey, a plywood slab, which is opaque and spectral-dependent and a clear PMMA slab, which is semitransparent. Data are analyzed for virgin and degraded materials at different steps of thermal degradation. It is seen that absorptivity and emissivity often reach high values in the range of 0.90-0.95 with a near-grey behavior after significant thermal aggression, but depending on the materials of interest, some significant evolution may be first observed, especially during the early stages of the degradation. Supplementary inaccuracy can come from the heterogeneity of the incident flux on the slab. As a whole, discrepancies up to 20% can be observed on the absorbed flux depending on the degradation time, mainly because of the spectral variations of the absorption and up to 10% more, depending on the position on the slab. Simple models with a constant and unique value of absorptivity may then lead to inaccuracies in the evaluation of the radiative flux absorption, with possible consequences on the pyrolysis analysis, especially for properties related to the early step of the degradation process, like the time to ignition, for example.

The Effect of Temperature Dependent Material Nonlinearities on the Response of Piezoelectric Composite Plates

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun; Saravanos, Dimitris A.

1997-01-01

Previously developed analytical formulations for piezoelectric composite plates are extended to account for the nonlinear effects of temperature on material properties. The temperature dependence of the composite and piezoelectric properties are represented at the material level through the thermopiezoelectric constitutive equations. In addition to capturing thermal effects from temperature dependent material properties, this formulation also accounts for thermal effects arising from: (1) coefficient of thermal expansion mismatch between the various composite and piezoelectric plies and (2) pyroelectric effects on the piezoelectric material. The constitutive equations are incorporated into a layerwise laminate theory to provide a unified representation of the coupled mechanical, electrical, and thermal behavior of smart structures. Corresponding finite element equations are derived and implemented for a bilinear plate element with the inherent capability to model both the active and sensory response of piezoelectric composite laminates. Numerical studies are conducted on a simply supported composite plate with attached piezoceramic patches under thermal gradients to investigate the nonlinear effects of material property temperature dependence on the displacements, sensory voltages, active voltages required to minimize thermal deflections, and the resultant stress states.

A Statistics-Based Material Property Analysis to Support TPS Characterization

NASA Technical Reports Server (NTRS)

Copeland, Sean R.; Cozmuta, Ioana; Alonso, Juan J.

2012-01-01

Accurate characterization of entry capsule heat shield material properties is a critical component in modeling and simulating Thermal Protection System (TPS) response in a prescribed aerothermal environment. The thermal decomposition of the TPS material during the pyrolysis and charring processes is poorly characterized and typically results in large uncertainties in material properties as inputs for ablation models. These material property uncertainties contribute to large design margins on flight systems and cloud re- construction efforts for data collected during flight and ground testing, making revision to existing models for entry systems more challenging. The analysis presented in this work quantifies how material property uncertainties propagate through an ablation model and guides an experimental test regimen aimed at reducing these uncertainties and characterizing the dependencies between properties in the virgin and charred states for a Phenolic Impregnated Carbon Ablator (PICA) based TPS. A sensitivity analysis identifies how the high-fidelity model behaves in the expected flight environment, while a Monte Carlo based uncertainty propagation strategy is used to quantify the expected spread in the in-depth temperature response of the TPS. An examination of how perturbations to the input probability density functions affect output temperature statistics is accomplished using a Kriging response surface of the high-fidelity model. Simulations are based on capsule configuration and aerothermal environments expected during the Mars Science Laboratory (MSL) entry sequence. We identify and rank primary sources of uncertainty from material properties in a flight-relevant environment, show the dependence on spatial orientation and in-depth location on those uncertainty contributors, and quantify how sensitive the expected results are.

Measurements of mechanical anisotropy in brain tissue and implications for transversely isotropic material models of white matter

PubMed Central

Feng, Yuan; Okamoto, Ruth J.; Namani, Ravi; Genin, Guy M.; Bayly, Philip V.

2013-01-01

White matter in the brain is structurally anisotropic, consisting largely of bundles of aligned, myelin-sheathed axonal fibers. White matter is believed to be mechanically anisotropic as well. Specifically, transverse isotropy is expected locally, with the plane of isotropy normal to the local mean fiber direction. Suitable material models involve strain energy density functions that depend on the I4 and I5 pseudo-invariants of the Cauchy–Green strain tensor to account for the effects of relatively stiff fibers. The pseudo-invariant I4 is the square of the stretch ratio in the fiber direction; I5 contains contributions of shear strain in planes parallel to the fiber axis. Most, if not all, published models of white matter depend on I4 but not on I5. Here, we explore the small strain limits of these models in the context of experimental measurements that probe these dependencies. Models in which strain energy depends on I4 but not I5 can capture differences in Young’s (tensile) moduli, but will not exhibit differences in shear moduli for loading parallel and normal to the mean direction of axons. We show experimentally, using a combination of shear and asymmetric indentation tests, that white matter does exhibit such differences in both tensile and shear moduli. Indentation tests were interpreted through inverse fitting of finite element models in the limit of small strains. Results highlight that: (1) hyperelastic models of transversely isotropic tissues such as white matter should include contributions of both the I4 and I5 strain pseudo-invariants; and (2) behavior in the small strain regime can usefully guide the choice and initial parameterization of more general material models of white matter. PMID:23680651

Forming limit curves of DP600 determined in high-speed Nakajima tests and predicted by two different strain-rate-sensitive models

NASA Astrophysics Data System (ADS)

Weiß-Borkowski, Nathalie; Lian, Junhe; Camberg, Alan; Tröster, Thomas; Münstermann, Sebastian; Bleck, Wolfgang; Gese, Helmut; Richter, Helmut

2018-05-01

Determination of forming limit curves (FLC) to describe the multi-axial forming behaviour is possible via either experimental measurements or theoretical calculations. In case of theoretical determination, different models are available and some of them consider the influence of strain rate in the quasi-static and dynamic strain rate regime. Consideration of the strain rate effect is necessary as many material characteristics such as yield strength and failure strain are affected by loading speed. In addition, the start of instability and necking depends not only on the strain hardening coefficient but also on the strain rate sensitivity parameter. Therefore, the strain rate dependency of materials for both plasticity and the failure behaviour is taken into account in crash simulations for strain rates up to 1000 s-1 and FLC can be used for the description of the material's instability behaviour at multi-axial loading. In this context, due to the strain rate dependency of the material behaviour, an extrapolation of the quasi-static FLC to dynamic loading condition is not reliable. Therefore, experimental high-speed Nakajima tests or theoretical models shall be used to determine the FLC at high strain rates. In this study, two theoretical models for determination of FLC at high strain rates and results of experimental high-speed Nakajima tests for a DP600 are presented. One of the theoretical models is the numerical algorithm CRACH as part of the modular material and failure model MF GenYld+CrachFEM 4.2, which is based on an initial imperfection. Furthermore, the extended modified maximum force criterion considering the strain rate effect is also used to predict the FLC. These two models are calibrated by the quasi-static and dynamic uniaxial tensile tests and bulge tests. The predictions for the quasi-static and dynamic FLC by both models are presented and compared with the experimental results.

Integrated Structural/Acoustic Modeling of Heterogeneous Panels

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett, A.; Aboudi, Jacob; Arnold, Steven, M.; Pennline, James, A.

2012-01-01

A model for the dynamic response of heterogeneous media is presented. A given medium is discretized into a number of subvolumes, each of which may contain an elastic anisotropic material, void, or fluid, and time-dependent boundary conditions are applied to simulate impact or incident pressure waves. The full time-dependent displacement and stress response throughout the medium is then determined via an explicit solution procedure. The model is applied to simulate the coupled structural/acoustic response of foam core sandwich panels as well as aluminum panels with foam inserts. Emphasis is placed on the acoustic absorption performance of the panels versus weight and the effects of the arrangement of the materials and incident wave frequency.

Information transport in classical statistical systems

NASA Astrophysics Data System (ADS)

Wetterich, C.

2018-02-01

For "static memory materials" the bulk properties depend on boundary conditions. Such materials can be realized by classical statistical systems which admit no unique equilibrium state. We describe the propagation of information from the boundary to the bulk by classical wave functions. The dependence of wave functions on the location of hypersurfaces in the bulk is governed by a linear evolution equation that can be viewed as a generalized Schrödinger equation. Classical wave functions obey the superposition principle, with local probabilities realized as bilinears of wave functions. For static memory materials the evolution within a subsector is unitary, as characteristic for the time evolution in quantum mechanics. The space-dependence in static memory materials can be used as an analogue representation of the time evolution in quantum mechanics - such materials are "quantum simulators". For example, an asymmetric Ising model on a Euclidean two-dimensional lattice represents the time evolution of free relativistic fermions in two-dimensional Minkowski space.

A blood circulation model for reference man

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leggett, R.W.; Eckerman, K.F.; Williams, L.R.

This paper describes a dynamic blood circulation model that predicts the movement and gradual dispersal of a bolus of material in the circulation after its intravascular injection into an adult human. The main purpose of the model is to improve the dosimetry of internally deposited radionuclides that decay in the circulation to a significant extent. The total blood volume is partitioned into the blood contents of 24 separate organs or tissues, right heart chambers, left heart chambers, pulmonary circulation, arterial outflow to the systemic tissues (aorta and large arteries), and venous return from the systemic tissues (large veins). As amore » compromise between physical reality and computational simplicity, the circulation of blood is viewed as a system of first-order transfers between blood pools, with the delay time depending on the mean transit time across the pool. The model allows consideration of incomplete, tissue-dependent extraction of material during passage through the circulation and return of material from tissues to plasma.« less

Continuum modeling of rate-dependent granular flows in SPH

DOE PAGES

Hurley, Ryan C.; Andrade, José E.

2016-09-13

In this paper, we discuss a constitutive law for modeling rate-dependent granular flows that has been implemented in smoothed particle hydrodynamics (SPH). We model granular materials using a viscoplastic constitutive law that produces a Drucker–Prager-like yield condition in the limit of vanishing flow. A friction law for non-steady flows, incorporating rate-dependence and dilation, is derived and implemented within the constitutive law. We compare our SPH simulations with experimental data, demonstrating that they can capture both steady and non-steady dynamic flow behavior, notably including transient column collapse profiles. In conclusion, this technique may therefore be attractive for modeling the time-dependent evolutionmore » of natural and industrial flows.« less

How to include frequency dependent complex permeability Into SPICE models to improve EMI filters design?

NASA Astrophysics Data System (ADS)

Sixdenier, Fabien; Yade, Ousseynou; Martin, Christian; Bréard, Arnaud; Vollaire, Christian

2018-05-01

Electromagnetic interference (EMI) filters design is a rather difficult task where engineers have to choose adequate magnetic materials, design the magnetic circuit and choose the size and number of turns. The final design must achieve the attenuation requirements (constraints) and has to be as compact as possible (goal). Alternating current (AC) analysis is a powerful tool to predict global impedance or attenuation of any filter. However, AC analysis are generally performed without taking into account the frequency-dependent complex permeability behaviour of soft magnetic materials. That's why, we developed two frequency-dependent complex permeability models able to be included into SPICE models. After an identification process, the performances of each model are compared to measurements made on a realistic EMI filter prototype in common mode (CM) and differential mode (DM) to see the benefit of the approach. Simulation results are in good agreement with the measured ones especially in the middle frequency range.

Simulation studies of chemical erosion on carbon based materials at elevated temperatures

NASA Astrophysics Data System (ADS)

Kenmotsu, T.; Kawamura, T.; Li, Zhijie; Ono, T.; Yamamura, Y.

1999-06-01

We simulated the fluence dependence of methane reaction yield in carbon with hydrogen bombardment using the ACAT-DIFFUSE code. The ACAT-DIFFUSE code is a simulation code based on a Monte Carlo method with a binary collision approximation and on solving diffusion equations. The chemical reaction model in carbon was studied by Roth or other researchers. Roth's model is suitable for the steady state methane reaction. But this model cannot estimate the fluence dependence of the methane reaction. Then, we derived an empirical formula based on Roth's model for methane reaction. In this empirical formula, we assumed the reaction region where chemical sputtering due to methane formation takes place. The reaction region corresponds to the peak range of incident hydrogen distribution in the target material. We adopted this empirical formula to the ACAT-DIFFUSE code. The simulation results indicate the similar fluence dependence compared with the experiment result. But, the fluence to achieve the steady state are different between experiment and simulation results.

Anisotropic constitutive modeling for nickel-base single crystal superalloys. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Sheh, Michael Y.

1988-01-01

An anisotropic constitutive model was developed based on crystallographic slip theory for nickel base single crystal superalloys. The constitutive equations developed utilizes drag stress and back stress state variables to model the local inelastic flow. Specially designed experiments were conducted to evaluate the existence of back stress in single crystal superalloy Rene N4 at 982 C. The results suggest that: (1) the back stress is orientation dependent; and (2) the back stress state variable is required for the current model to predict material anelastic recovery behavior. The model was evaluated for its predictive capability on single crystal material behavior including orientation dependent stress-strain response, tension/compression asymmetry, strain rate sensitivity, anelastic recovery behavior, cyclic hardening and softening, stress relaxation, creep and associated crystal lattice rotation. Limitation and future development needs are discussed.

Laser-driven interactions and resultant instabilities in materials with high dielectric constant

NASA Astrophysics Data System (ADS)

Rajpoot, Moolchandra; Dixit, Sanjay

2015-07-01

An analytical investigation of nonlinear interactions resulting in parametric amplification of acoustic wave is made by obtaining the dispersion relation using hydrodynamic model of inhomogeneous plasma by applying large static field at an arbitrary angle with the pump wave. The investigation shows that many early studies have neglected dependence of dielectric constant on deformation of materials but deformation of materials does infect depends on the dielectric constant of medium. Thus we have assumed to high dielectric material like BaTiO3 which resulted in substantially high growth rate of threshold electric field which opens a new dimension to study nonlinear interactions and instabilities.

On numerical integration and computer implementation of viscoplastic models

NASA Technical Reports Server (NTRS)

Chang, T. Y.; Chang, J. P.; Thompson, R. L.

1985-01-01

Due to the stringent design requirement for aerospace or nuclear structural components, considerable research interests have been generated on the development of constitutive models for representing the inelastic behavior of metals at elevated temperatures. In particular, a class of unified theories (or viscoplastic constitutive models) have been proposed to simulate material responses such as cyclic plasticity, rate sensitivity, creep deformations, strain hardening or softening, etc. This approach differs from the conventional creep and plasticity theory in that both the creep and plastic deformations are treated as unified time-dependent quantities. Although most of viscoplastic models give better material behavior representation, the associated constitutive differential equations have stiff regimes which present numerical difficulties in time-dependent analysis. In this connection, appropriate solution algorithm must be developed for viscoplastic analysis via finite element method.

Healing of a mechano-responsive material

NASA Astrophysics Data System (ADS)

Vetter, A.; Sander, O.; Duda, G. N.; Weinkamer, R.

2013-12-01

While contribution of physics to model fracture of materials is significant, the “reversed” process of healing is hardly investigated. Inspired by fracture healing that occurs as a self-repair process in nature, e.g. in bone, we computationally study the conditions under which a material can repair itself. In our model the material around a fracture is assumed mechano-responsive: it processes the information of i) local stiffness and ii) local strain and responds by local stiffening. Depending on how information i) and ii) is processed, healing evolves via fundamentally different paths.

Effective conductivity and permittivity of unsaturated porous materials in the frequency range 1 mHz–1GHz

PubMed Central

Revil, A

2013-01-01

A model combining low-frequency complex conductivity and high-frequency permittivity is developed in the frequency range from 1 mHz to 1 GHz. The low-frequency conductivity depends on pore water and surface conductivities. Surface conductivity is controlled by the electrical diffuse layer, the outer component of the electrical double layer coating the surface of the minerals. The frequency dependence of the effective quadrature conductivity shows three domains. Below a critical frequency fp, which depends on the dynamic pore throat size Λ, the quadrature conductivity is frequency dependent. Between fp and a second critical frequency fd, the quadrature conductivity is generally well described by a plateau when clay minerals are present in the material. Clay-free porous materials with a narrow grain size distribution are described by a Cole-Cole model. The characteristic frequency fd controls the transition between double layer polarization and the effect of the high-frequency permittivity of the material. The Maxwell-Wagner polarization is found to be relatively negligible. For a broad range of frequencies below 1 MHz, the effective permittivity exhibits a strong dependence with the cation exchange capacity and the specific surface area. At high frequency, above the critical frequency fd, the effective permittivity reaches a high-frequency asymptotic limit that is controlled by the two Archie's exponents m and n like the low-frequency electrical conductivity. The unified model is compared with various data sets from the literature and is able to explain fairly well a broad number of observations with a very small number of textural and electrochemical parameters. It could be therefore used to interpret induced polarization, induction-based electromagnetic methods, and ground penetrating radar data to characterize the vadose zone. PMID:23576823

Modeling of outgassing and matrix decomposition in carbon-phenolic composites

NASA Technical Reports Server (NTRS)

Mcmanus, Hugh L.

1993-01-01

A new release rate equation to model the phase change of water to steam in composite materials was derived from the theory of molecular diffusion and equilibrium moisture concentration. The new model is dependent on internal pressure, the microstructure of the voids and channels in the composite materials, and the diffusion properties of the matrix material. Hence, it is more fundamental and accurate than the empirical Arrhenius rate equation currently in use. The model was mathematically formalized and integrated into the thermostructural analysis code CHAR. Parametric studies on variation of several parameters have been done. Comparisons to Arrhenius and straight-line models show that the new model produces physically realistic results under all conditions.

Crustal deformation, the earthquake cycle, and models of viscoelastic flow in the asthenosphere

NASA Technical Reports Server (NTRS)

Cohen, S. C.; Kramer, M. J.

1983-01-01

The crustal deformation patterns associated with the earthquake cycle can depend strongly on the rheological properties of subcrustal material. Substantial deviations from the simple patterns for a uniformly elastic earth are expected when viscoelastic flow of subcrustal material is considered. The detailed description of the deformation pattern and in particular the surface displacements, displacement rates, strains, and strain rates depend on the structure and geometry of the material near the seismogenic zone. The origin of some of these differences are resolved by analyzing several different linear viscoelastic models with a common finite element computational technique. The models involve strike-slip faulting and include a thin channel asthenosphere model, a model with a varying thickness lithosphere, and a model with a viscoelastic inclusion below the brittle slip plane. The calculations reveal that the surface deformation pattern is most sensitive to the rheology of the material that lies below the slip plane in a volume whose extent is a few times the fault depth. If this material is viscoelastic, the surface deformation pattern resembles that of an elastic layer lying over a viscoelastic half-space. When the thickness or breath of the viscoelastic material is less than a few times the fault depth, then the surface deformation pattern is altered and geodetic measurements are potentially useful for studying the details of subsurface geometry and structure. Distinguishing among the various models is best accomplished by making geodetic measurements not only near the fault but out to distances equal to several times the fault depth. This is where the model differences are greatest; these differences will be most readily detected shortly after an earthquake when viscoelastic effects are most pronounced.

Time-Dependent Reversible-Irreversible Deformation Threshold Determined Explicitly by Experimental Technique

NASA Technical Reports Server (NTRS)

Castelli, Michael G.; Arnold, Steven M.

2000-01-01

Structural materials for the design of advanced aeropropulsion components are usually subject to loading under elevated temperatures, where a material's viscosity (resistance to flow) is greatly reduced in comparison to its viscosity under low-temperature conditions. As a result, the propensity for the material to exhibit time-dependent deformation is significantly enhanced, even when loading is limited to a quasi-linear stress-strain regime as an effort to avoid permanent (irreversible) nonlinear deformation. An understanding and assessment of such time-dependent effects in the context of combined reversible and irreversible deformation is critical to the development of constitutive models that can accurately predict the general hereditary behavior of material deformation. To this end, researchers at the NASA Glenn Research Center at Lewis Field developed a unique experimental technique that identifies the existence of and explicitly determines a threshold stress k, below which the time-dependent material deformation is wholly reversible, and above which irreversible deformation is incurred. This technique is unique in the sense that it allows, for the first time, an objective, explicit, experimental measurement of k. The underlying concept for the experiment is based on the assumption that the material s time-dependent reversible response is invariable, even in the presence of irreversible deformation.

3D Viscoelastic Traction Force Microscopy

PubMed Central

Toyjanova, Jennet; Hannen, Erin; Bar-Kochba, Eyal; Darling, Eric M.; Henann, David L.; Franck, Christian

2014-01-01

Native cell-material interactions occur on materials differing in their structural composition, chemistry, and physical compliance. While the last two decades have shown the importance of traction forces during cell-material interactions, they have been almost exclusively presented on purely elastic in-vitro materials. Yet, most bodily tissue materials exhibit some level of viscoelasticity, which could play an important role in how cells sense and transduce tractions. To expand the realm of cell traction measurements and to encompass all materials from elastic to viscoelastic, this paper presents a general, and comprehensive approach for quantifying 3D cell tractions in viscoelastic materials. This methodology includes the experimental characterization of the time-dependent material properties for any viscoelastic material with the subsequent mathematical implementation of the determined material model into a 3D traction force microscopy (3D TFM) framework. Utilizing this new 3D viscoelastic TFM (3D VTFM) approach, we quantify the influence of viscosity on the overall material traction calculations and quantify the error associated with omitting time-dependent material effects, as is the case for all other TFM formulations. We anticipate that the 3D VTFM technique will open up new avenues of cell-material investigations on even more physiologically relevant time-dependent materials including collagen and fibrin gels. PMID:25170569

Wavelength dependence of femtosecond laser-induced damage threshold of optical materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gallais, L., E-mail: laurent.gallais@fresnel.fr; Douti, D.-B.; Commandré, M.

2015-06-14

An experimental and numerical study of the laser-induced damage of the surface of optical material in the femtosecond regime is presented. The objective of this work is to investigate the different processes involved as a function of the ratio of photon to bandgap energies and compare the results to models based on nonlinear ionization processes. Experimentally, the laser-induced damage threshold of optical materials has been studied in a range of wavelengths from 1030 nm (1.2 eV) to 310 nm (4 eV) with pulse durations of 100 fs with the use of an optical parametric amplifier system. Semi-conductors and dielectrics materials, in bulk or thinmore » film forms, in a range of bandgap from 1 to 10 eV have been tested in order to investigate the scaling of the femtosecond laser damage threshold with the bandgap and photon energy. A model based on the Keldysh photo-ionization theory and the description of impact ionization by a multiple-rate-equation system is used to explain the dependence of laser-breakdown with the photon energy. The calculated damage fluence threshold is found to be consistent with experimental results. From these results, the relative importance of the ionization processes can be derived depending on material properties and irradiation conditions. Moreover, the observed damage morphologies can be described within the framework of the model by taking into account the dynamics of energy deposition with one dimensional propagation simulations in the excited material and thermodynamical considerations.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rubin, M. B.; Vorobiev, O.; Vitali, E.

Here, a large deformation thermomechanical model is developed for shock loading of a material that can exhibit elastic and inelastic anisotropy. Use is made of evolution equations for a triad of microstructural vectors m i(i=1,2,3) which model elastic deformations and directions of anisotropy. Specific constitutive equations are presented for a material with orthotropic elastic response. The rate of inelasticity depends on an orthotropic yield function that can be used to model weak fault planes with failure in shear and which exhibits a smooth transition to isotropic response at high compression. Moreover, a robust, strongly objective numerical algorithm is proposed formore » both rate-independent and rate-dependent response. The predictions of the continuum model are examined by comparison with exact steady-state solutions. Also, the constitutive equations are used to obtain a simplified continuum model of jointed rock which is compared with high fidelity numerical solutions that model a persistent system of joints explicitly in the rock medium.« less

A crystallographic model for nickel base single crystal alloys

NASA Technical Reports Server (NTRS)

Dame, L. T.; Stouffer, D. C.

1988-01-01

The purpose of this research is to develop a tool for the mechanical analysis of nickel-base single-crystal superalloys, specifically Rene N4, used in gas turbine engine components. This objective is achieved by developing a rate-dependent anisotropic constitutive model and implementing it in a nonlinear three-dimensional finite-element code. The constitutive model is developed from metallurgical concepts utilizing a crystallographic approach. An extension of Schmid's law is combined with the Bodner-Partom equations to model the inelastic tension/compression asymmetry and orientation-dependence in octahedral slip. Schmid's law is used to approximate the inelastic response of the material in cube slip. The constitutive equations model the tensile behavior, creep response and strain-rate sensitivity of the single-crystal superalloys. Methods for deriving the material constants from standard tests are also discussed. The model is implemented in a finite-element code, and the computed and experimental results are compared for several orientations and loading conditions.

Modeling of non-ideal hard permanent magnets with an affine-linear model, illustrated for a bar and a horseshoe magnet

NASA Astrophysics Data System (ADS)

Glane, Sebastian; Reich, Felix A.; Müller, Wolfgang H.

2017-11-01

This study is dedicated to continuum-scale material modeling of isotropic permanent magnets. An affine-linear extension to the commonly used ideal hard model for permanent magnets is proposed, motivated, and detailed. In order to demonstrate the differences between these models, bar and horseshoe magnets are considered. The structure of the boundary value problem for the magnetic field and related solution techniques are discussed. For the ideal model, closed-form analytical solutions were obtained for both geometries. Magnetic fields of the boundary value problems for both models and differently shaped magnets were computed numerically by using the boundary element method. The results show that the character of the magnetic field is strongly influenced by the model that is used. Furthermore, it can be observed that the shape of an affine-linear magnet influences the near-field significantly. Qualitative comparisons with experiments suggest that both the ideal and the affine-linear models are relevant in practice, depending on the magnetic material employed. Mathematically speaking, the ideal magnetic model is a special case of the affine-linear one. Therefore, in applications where knowledge of the near-field is important, the affine-linear model can yield more accurate results—depending on the magnetic material.

The effects of surface chemistry of mesoporous silica materials and solution pH on kinetics of molsidomine adsorption

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dolinina, E.S.; Parfenyuk, E.V., E-mail: terrakott37@mail.ru

2014-01-15

Adsorption kinetics of molsidomine on mesoporous silica material (UMS), the phenyl- (PhMS) and mercaptopropyl-functionalized (MMS) derivatives from solution with different pH and 298 K was studied. The adsorption kinetics was found to follow the pseudo-second-order kinetic model for all studied silica materials and pH. Effects of surface functional groups and pH on adsorption efficiency and kinetic adsorption parameters were investigated. At all studied pH, the highest molsidomine amount is adsorbed on PhMS due to π–π interactions and hydrogen bonding between surface groups of PhMS and molsidomine molecules. An increase of pH results in a decrease of the amounts of adsorbedmore » molsidomine onto the silica materials. Furthermore, the highest adsorption rate kinetically evaluated using a pseudo-second-order model, is observed onto UMS and it strongly depends on pH. The mechanism of the adsorption process was determined from the intraparticle diffusion and Boyd kinetic film–diffusion models. The results showed that the molsidomine adsorption on the silica materials is controlled by film diffusion. Effect of pH on the diffusion parameters is discussed. - Graphical abstract: The kinetic study showed that the k{sub 2} value, the rate constant of pseudo-second order kinetic model, is the highest for molsidomine adsorption on UMS and strongly depends on pH because it is determined by availability and accessibility of the reaction sites of the adsorbents molsidomine binding. Display Omitted - Highlights: • The adsorption capacities of UMS, PhMS and MMS were dependent on the pH. • At all studied pH, the highest molsidomine amount is adsorbed on PhMS. • The highest adsorption rate, k{sub 2}, is observed onto UMS and strongly depends on pH. • Film diffusion was the likely rate-limiting step in the adsorption process.« less

Modification of Pawlow's thermodynamical model for the melting of small single-component particles

NASA Astrophysics Data System (ADS)

Barybin, Anatoly; Shapovalov, Victor

2011-02-01

A new approach to the melting of small particles is proposed to modify the known Pawlow's model by taking into account the transfer of material from solid spherical particles to liquid ones through a gas phase. Thermodynamical analysis gives rise to a differential equation for the melting point Tm involving such size-dependent and temperature-dependent parameters of a material as the surface tensions σs(l ), molar heat of fusion ΔHm and molar volumes vs(l ). Solution of this equation has shown that all the limiting cases for size-independent situations coincide with results known in the literature and our analysis of size-dependent situations gives results close to the experimental data previously obtained by other authors for some metallic particles.

Impact erosion prediction using the finite volume particle method with improved constitutive models

NASA Astrophysics Data System (ADS)

Leguizamón, Sebastián; Jahanbakhsh, Ebrahim; Maertens, Audrey; Vessaz, Christian; Alimirzazadeh, Siamak; Avellan, François

2016-11-01

Erosion damage in hydraulic turbines is a common problem caused by the high- velocity impact of small particles entrained in the fluid. In this investigation, the Finite Volume Particle Method is used to simulate the three-dimensional impact of rigid spherical particles on a metallic surface. Three different constitutive models are compared: the linear strainhardening (L-H), Cowper-Symonds (C-S) and Johnson-Cook (J-C) models. They are assessed in terms of the predicted erosion rate and its dependence on impact angle and velocity, as compared to experimental data. It has been shown that a model accounting for strain rate is necessary, since the response of the material is significantly tougher at the very high strain rate regime caused by impacts. High sensitivity to the friction coefficient, which models the cutting wear mechanism, has been noticed. The J-C damage model also shows a high sensitivity to the parameter related to triaxiality, whose calibration appears to be scale-dependent, not exclusively material-determined. After calibration, the J-C model is capable of capturing the material's erosion response to both impact velocity and angle, whereas both C-S and L-H fail.

Modeling Climate Dynamically

ERIC Educational Resources Information Center

Walsh, Jim; McGehee, Richard

2013-01-01

A dynamical systems approach to energy balance models of climate is presented, focusing on low order, or conceptual, models. Included are global average and latitude-dependent, surface temperature models. The development and analysis of the differential equations and corresponding bifurcation diagrams provides a host of appropriate material for…

Molecular- and Domain-level Microstructure-dependent Material Model for Nano-segregated Polyurea

DTIC Science & Technology

2013-04-15

material subroutine VUMAT of ABAQUS /Explicit (Dassault Systems, 2010), a commercial finite element code. This subroutine is called by the ABAQUS solver...rate of change of the local internal thermal energy is equal to the corresponding rate of dissipative work. Critical assessment of this model identified...The model also takes into account the plastic expansion or contraction of voids and therefore the stresses are appropriately modified to account for

A temperature dependent cyclic plasticity model for hot work tool steel including particle coarsening

NASA Astrophysics Data System (ADS)

Jilg, Andreas; Seifert, Thomas

2018-05-01

Hot work tools are subjected to complex thermal and mechanical loads during hot forming processes. Locally, the stresses can exceed the material's yield strength in highly loaded areas as e.g. in small radii in die cavities. To sustain the high loads, the hot forming tools are typically made of martensitic hot work steels. While temperatures for annealing of the tool steels usually lie in the range between 400 and 600 °C, the steels may experience even higher temperatures during hot forming, resulting in softening of the material due to coarsening of strengthening particles. In this paper, a temperature dependent cyclic plasticity model for the martensitic hot work tool steel 1.2367 (X38CrMoV5-3) is presented that includes softening due to particle coarsening and that can be applied in finite-element calculations to assess the effect of softening on the thermomechanical fatigue life of hot work tools. To this end, a kinetic model for the evolution of the mean size of secondary carbides based on Ostwald ripening is coupled with a cyclic plasticity model with kinematic hardening. Mechanism-based relations are developed to describe the dependency of the mechanical properties on carbide size and temperature. The material properties of the mechanical and kinetic model are determined on the basis of tempering hardness curves as well as monotonic and cyclic tests.

On the Relative Relevance of Subject-Specific Geometries and Degeneration-Specific Mechanical Properties for the Study of Cell Death in Human Intervertebral Disk Models

PubMed Central

Malandrino, Andrea; Pozo, José M.; Castro-Mateos, Isaac; Frangi, Alejandro F.; van Rijsbergen, Marc M.; Ito, Keita; Wilke, Hans-Joachim; Dao, Tien Tuan; Ho Ba Tho, Marie-Christine; Noailly, Jérôme

2015-01-01

Capturing patient- or condition-specific intervertebral disk (IVD) properties in finite element models is outmost important in order to explore how biomechanical and biophysical processes may interact in spine diseases. However, disk degenerative changes are often modeled through equations similar to those employed for healthy organs, which might not be valid. As for the simulated effects of degenerative changes, they likely depend on specific disk geometries. Accordingly, we explored the ability of continuum tissue models to simulate disk degenerative changes. We further used the results in order to assess the interplay between these simulated changes and particular IVD morphologies, in relation to disk cell nutrition, a potentially important factor in disk tissue regulation. A protocol to derive patient-specific computational models from clinical images was applied to different spine specimens. In vitro, IVD creep tests were used to optimize poro-hyperelastic input material parameters in these models, in function of the IVD degeneration grade. The use of condition-specific tissue model parameters in the specimen-specific geometrical models was validated against independent kinematic measurements in vitro. Then, models were coupled to a transport-cell viability model in order to assess the respective effects of tissue degeneration and disk geometry on cell viability. While classic disk poro-mechanical models failed in representing known degenerative changes, additional simulation of tissue damage allowed model validation and gave degeneration-dependent material properties related to osmotic pressure and water loss, and to increased fibrosis. Surprisingly, nutrition-induced cell death was independent of the grade-dependent material properties, but was favored by increased diffusion distances in large IVDs. Our results suggest that in situ geometrical screening of IVD morphology might help to anticipate particular mechanisms of disk degeneration. PMID:25717471

Implementation of Improved Transverse Shear Calculations and Higher Order Laminate Theory Into Strain Rate Dependent Analyses of Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Zhu, Lin-Fa; Kim, Soo; Chattopadhyay, Aditi; Goldberg, Robert K.

2004-01-01

A numerical procedure has been developed to investigate the nonlinear and strain rate dependent deformation response of polymer matrix composite laminated plates under high strain rate impact loadings. A recently developed strength of materials based micromechanics model, incorporating a set of nonlinear, strain rate dependent constitutive equations for the polymer matrix, is extended to account for the transverse shear effects during impact. Four different assumptions of transverse shear deformation are investigated in order to improve the developed strain rate dependent micromechanics model. The validities of these assumptions are investigated using numerical and theoretical approaches. A method to determine through the thickness strain and transverse Poisson's ratio of the composite is developed. The revised micromechanics model is then implemented into a higher order laminated plate theory which is modified to include the effects of inelastic strains. Parametric studies are conducted to investigate the mechanical response of composite plates under high strain rate loadings. Results show the transverse shear stresses cannot be neglected in the impact problem. A significant level of strain rate dependency and material nonlinearity is found in the deformation response of representative composite specimens.

Modelling the influence of carbon content on material behavior during forging

NASA Astrophysics Data System (ADS)

Korpała, G.; Ullmann, M.; Graf, M.; Wester, H.; Bouguecha, A.; Awiszus, B.; Behrens, B.-A.; Kawalla, R.

2017-10-01

Nowadays the design of single process steps and even of whole process chains is realized by the use of numerical simulation, in particular finite element (FE) based methods. A detailed numerical simulation of hot forging processes requires realistic models, which consider the relevant material-specific parameters to characterize the material behavior, the surface phenomena, the dies as well as models for the machine kinematic. This data exists partial for several materials, but general information on steel groups depending on alloying elements are not available. In order to generate the scientific input data regarding to material modelling, it is necessary to take into account the mathematical functions for deformation behavior as well as recrystallization kinetic, which depends alloying elements, initial microstructure and reheating mode. Besides the material flow characterization, a detailed description of surface changes caused by oxide scale is gaining in importance, as these phenomena affect the material flow and the component quality. Experiments to investigate the influence of only one chemical element on the oxide scale kinetic and the inner structure at high temperatures are still not available. Most data concerning these characteristics is provided for the steel grade C45, so this steel will be used as basis for the tests. In order to identify the effect of the carbon content on the material and oxidation behavior, the steel grades C15 and C60 will be investigated. This paper gives first approaches with regard to the influence of the carbon content on the oxide scale kinetic and the flow stresses combined with the initial microstructure.

Improved model for the angular dependence of excimer laser ablation rates in polymer materials

NASA Astrophysics Data System (ADS)

Pedder, J. E. A.; Holmes, A. S.; Dyer, P. E.

2009-10-01

Measurements of the angle-dependent ablation rates of polymers that have applications in microdevice fabrication are reported. A simple model based on Beer's law, including plume absorption, is shown to give good agreement with the experimental findings for polycarbonate and SU8, ablated using the 193 and 248 nm excimer lasers, respectively. The modeling forms a useful tool for designing masks needed to fabricate complex surface relief by ablation.

Modeling of the flow stress for AISI H13 Tool Steel during Hard Machining Processes

NASA Astrophysics Data System (ADS)

Umbrello, Domenico; Rizzuti, Stefania; Outeiro, José C.; Shivpuri, Rajiv

2007-04-01

In general, the flow stress models used in computer simulation of machining processes are a function of effective strain, effective strain rate and temperature developed during the cutting process. However, these models do not adequately describe the material behavior in hard machining, where a range of material hardness between 45 and 60 HRC are used. Thus, depending on the specific material hardness different material models must be used in modeling the cutting process. This paper describes the development of a hardness-based flow stress and fracture models for the AISI H13 tool steel, which can be applied for range of material hardness mentioned above. These models were implemented in a non-isothermal viscoplastic numerical model to simulate the machining process for AISI H13 with various hardness values and applying different cutting regime parameters. Predicted results are validated by comparing them with experimental results found in the literature. They are found to predict reasonably well the cutting forces as well as the change in chip morphology from continuous to segmented chip as the material hardness change.

Micromechanical investigation of ductile failure in Al 5083-H116 via 3D unit cell modeling

NASA Astrophysics Data System (ADS)

Bomarito, G. F.; Warner, D. H.

2015-01-01

Ductile failure is governed by the evolution of micro-voids within a material. The micro-voids, which commonly initiate at second phase particles within metal alloys, grow and interact with each other until failure occurs. The evolution of the micro-voids, and therefore ductile failure, depends on many parameters (e.g., stress state, temperature, strain rate, void and particle volume fraction, etc.). In this study, the stress state dependence of the ductile failure of Al 5083-H116 is investigated by means of 3-D Finite Element (FE) periodic cell models. The cell models require only two pieces of information as inputs: (1) the initial particle volume fraction of the alloy and (2) the constitutive behavior of the matrix material. Based on this information, cell models are subjected to a given stress state, defined by the stress triaxiality and the Lode parameter. For each stress state, the cells are loaded in many loading orientations until failure. Material failure is assumed to occur in the weakest orientation, and so the orientation in which failure occurs first is considered as the critical orientation. The result is a description of material failure that is derived from basic principles and requires no fitting parameters. Subsequently, the results of the simulations are used to construct a homogenized material model, which is used in a component-scale FE model. The component-scale FE model is compared to experiments and is shown to over predict ductility. By excluding smaller nucleation events and load path non-proportionality, it is concluded that accuracy could be gained by including more information about the true microstructure in the model; emphasizing that its incorporation into micromechanical models is critical to developing quantitatively accurate physics-based ductile failure models.

Measurements of mineral thermal conductivity at high pressures and temperatures with the laser-heated diamond anvil cell

NASA Astrophysics Data System (ADS)

McGuire, C. P.; Rainey, E.; Kavner, A.

2016-12-01

The high-pressure, high-temperature thermal conductivities of lower mantle oxides and silicates play an important role in governing the heat flow across the core-mantle boundary, and the thermal conductivity of core materials determines, at first order, the power required to run the geodynamo. Uncertainties in the pressure-dependence and compositional-dependence of thermal conductivities has complicated our understanding of the heat flow in the deep earth and has implications for the geodynamo mechanism (Buffett, 2012). The goal of this study is to measure how thermal conductivity varies with pressure and composition using a technique that combines temperature measurements as a function of power input in the laser-heated diamond anvil cell (LHDAC) with a model of three-dimensional heat flow (Rainey & Kavner, 2014). In one set of experiments, we measured temperature versus laser-power for iron, iron silicide, and stainless steel (Fe:Cr:Ni = 70:19:11 wt%), using a variety of insulating layers. In another set of experiments, we measured temperature vs. laser power for a series of Fe-bearing periclase (Mg1-x,FexO) samples, with compositions ranging from x = .24 to x = .78. These experiments were conducted up to pressures of 25 GPa and temperatures of 2800 K. A numerical model for heat conduction in the LHDAC is used to forward model the temperature versus laser power curves at successive pressures, solving for the change in thermal conductivity of the material required to best reproduce the measurements. The heat flow model is implemented using a finite element full-approximation storage (FAS) multi-grid solver, which allows for efficient computation with flexible inputs for geometry and material properties in the diamond anvil cell (Rainey et al., 2013). We use the results of our experiments and model to extract pressure and compositional dependencies of thermal conductivity for the materials described herein. The results are used to help constrain models of the thermal properties of core and mantle materials.

Fatigue strength degradation of metals in corrosive environments

NASA Astrophysics Data System (ADS)

Adasooriya, N. D.; Hemmingsen, T.; Pavlou, D.

2017-12-01

Structures exposed to aggressive environmental conditions are often subjected to time-dependent loss of coating and loss of material due to corrosion; this causes reduction in the cross-sectional properties of the members, increased surface roughness, surface irregularities and corrosion pits, and degradation of material strengths. These effects have been identified and simulated in different research studies. However, time and corrosive media dependent fatigue strength curves for materials have not been discussed in the design or assessment guidelines for structures. This paper attempts to review the corrosion degradation process and available approaches/models used to determine the fatigue strength of corroded materials and to interpolate corrosion deterioration data. High cycle fatigue and full range fatigue life formulae for fatigue strength of corroded materials are proposed. The above formulae depend on the endurance limit of corroded material, in addition to the stress-life fatigue curve parameters of the uncorroded material. The endurance limit of corroded material can either be determined by a limited number of tests in the very high-cycle fatigue region or predicted by an analytical approach. Comparison with experimentally measured corrosion fatigue behavior of several materials is provided and discussed.

On numerical model of one-dimensional time-dependent gas flows through bed of encapsulated phase change material

NASA Astrophysics Data System (ADS)

Lutsenko, N. A.; Fetsov, S. S.

2017-10-01

Mathematical model and numerical method are proposed for investigating the one-dimensional time-dependent gas flows through a packed bed of encapsulated Phase Change Material (PCM). The model is based on the assumption of interacting interpenetrating continua and includes equations of state, continuity, momentum conservation and energy for PCM and gas. The advantage of the method is that it does not require predicting the location of phase transition zone and can define it automatically as in a usual shock-capturing method. One of the applications of the developed numerical model is the simulation of novel Adiabatic Compressed Air Energy Storage system (A-CAES) with Thermal Energy Storage subsystem (TES) based on using the encapsulated PCM in packed bed. Preliminary test calculations give hope that the method can be effectively applied in the future for modelling the charge and discharge processes in such TES with PCM.

Estimating Energy Conversion Efficiency of Thermoelectric Materials: Constant Property Versus Average Property Models

NASA Astrophysics Data System (ADS)

Armstrong, Hannah; Boese, Matthew; Carmichael, Cody; Dimich, Hannah; Seay, Dylan; Sheppard, Nathan; Beekman, Matt

2017-01-01

Maximum thermoelectric energy conversion efficiencies are calculated using the conventional "constant property" model and the recently proposed "cumulative/average property" model (Kim et al. in Proc Natl Acad Sci USA 112:8205, 2015) for 18 high-performance thermoelectric materials. We find that the constant property model generally predicts higher energy conversion efficiency for nearly all materials and temperature differences studied. Although significant deviations are observed in some cases, on average the constant property model predicts an efficiency that is a factor of 1.16 larger than that predicted by the average property model, with even lower deviations for temperature differences typical of energy harvesting applications. Based on our analysis, we conclude that the conventional dimensionless figure of merit ZT obtained from the constant property model, while not applicable for some materials with strongly temperature-dependent thermoelectric properties, remains a simple yet useful metric for initial evaluation and/or comparison of thermoelectric materials, provided the ZT at the average temperature of projected operation, not the peak ZT, is used.

Deformation modeling and constitutive modeling for anisotropic superalloys

NASA Technical Reports Server (NTRS)

Milligan, Walter W.; Antolovich, Stephen D.

1989-01-01

A study of deformation mechanisms in the single crystal superalloy PWA 1480 was conducted. Monotonic and cyclic tests were conducted from 20 to 1093 C. Both (001) and near-(123) crystals were tested, at strain rates of 0.5 and 50 percent/minute. The deformation behavior could be grouped into two temperature regimes: low temperatures, below 760 C; and high temperatures, above 820 to 950 C depending on the strain rate. At low temperatures, the mechanical behavior was very anisotropic. An orientation dependent CRSS, a tension-compression asymmetry, and anisotropic strain hardening were all observed. The material was deformed by planar octahedral slip. The anisotropic properties were correlated with the ease of cube cross-slip, as well as the number of active slip systems. At high temperatures, the material was isotropic, and deformed by homogeneous gamma by-pass. It was found that the temperature dependence of the formation of superlattice-intrinsic stacking faults was responsible for the local minimum in the CRSS of this alloy at 400 C. It was proposed that the cube cross-slip process must be reversible. This was used to explain the reversible tension-compression asymmetry, and was used to study models of cross-slip. As a result, the cross-slip model proposed by Paidar, Pope and Vitek was found to be consistent with the proposed slip reversibility. The results were related to anisotropic viscoplastic constitutive models. The model proposed by Walter and Jordan was found to be capable of modeling all aspects of the material anisotropy. Temperature and strain rate boundaries for the model were proposed, and guidelines for numerical experiments were proposed.

Calibrating the Abaqus Crushable Foam Material Model using UNM Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schembri, Philip E.; Lewis, Matthew W.

Triaxial test data from the University of New Mexico and uniaxial test data from W-14 is used to calibrate the Abaqus crushable foam material model to represent the syntactic foam comprised of APO-BMI matrix and carbon microballoons used in the W76. The material model is an elasto-plasticity model in which the yield strength depends on pressure. Both the elastic properties and the yield stress are estimated by fitting a line to the elastic region of each test response. The model parameters are fit to the data (in a non-rigorous way) to provide both a conservative and not-conservative material model. Themore » model is verified to perform as intended by comparing the values of pressure and shear stress at yield, as well as the shear and volumetric stress-strain response, to the test data.« less

Analytic Thermoelectric Couple Modeling: Variable Material Properties and Transient Operation

NASA Technical Reports Server (NTRS)

Mackey, Jonathan A.; Sehirlioglu, Alp; Dynys, Fred

2015-01-01

To gain a deeper understanding of the operation of a thermoelectric couple a set of analytic solutions have been derived for a variable material property couple and a transient couple. Using an analytic approach, as opposed to commonly used numerical techniques, results in a set of useful design guidelines. These guidelines can serve as useful starting conditions for further numerical studies, or can serve as design rules for lab built couples. The analytic modeling considers two cases and accounts for 1) material properties which vary with temperature and 2) transient operation of a couple. The variable material property case was handled by means of an asymptotic expansion, which allows for insight into the influence of temperature dependence on different material properties. The variable property work demonstrated the important fact that materials with identical average Figure of Merits can lead to different conversion efficiencies due to temperature dependence of the properties. The transient couple was investigated through a Greens function approach; several transient boundary conditions were investigated. The transient work introduces several new design considerations which are not captured by the classic steady state analysis. The work helps to assist in designing couples for optimal performance, and also helps assist in material selection.

Frequency Domain Modelling of Electromagnetic Wave Propagation in Layered Media

NASA Astrophysics Data System (ADS)

Schmidt, Felix; Lünenschloss, Peter; Mai, Juliane; Wagner, Norman; Töpfer, Hannes; Bumberger, Jan

2016-04-01

The amount of water in porous media such as soils and rocks is a key parameter when water resources are under investigation. Especially the quantitative spatial distribution and temporal evolution of water contents in soil formations are needed. In high frequency electromagnetic applications soil water content is quantitatively derived from the propagation behavior of electromagnetic waves along waveguides embedded in soil formations. The spatial distribution of the dielectric material properties along the waveguide can be estimated by numerical solving of the inverse problem based on the full wave forward model in time or frequency domain. However, current approaches mostly neglect or approximate the frequency dependence of the electromagnetic material properties of transfer function of the waveguide. As a first prove of concept a full two port broadband frequency domain forward model for propagation of transverse electromagnetic (TEM) waves in coaxial waveguide has been implemented. It is based on the propagation matrix approach for layered transmission line sections. Depending on the complexity of the material different models for the frequency dependent complex permittivity were applied. For the validation of the model a broadband frequency domain measurement with network analyzer technique was used. The measurement is based on a 20 cm long 50 Ohm 20/46 coaxial transmission line cell considering inhomogeneous material distributions. This approach allows (i) an increase of the waveguide calibration accuracy in comparison to conventional TDR based technique and (ii) the consideration of the broadband permittivity spectrum of the porous material. In order to systematic analyze the model, theoretical results were compared with measurements as well as 3D broadband finite element modeling of homogeneous and layered media in the coaxial transmission line cell. Defined standards (Teflon, dry glass beads, de-ionized water) were placed inside the line as the dielectric layers in different configurations. With a Thru Reflect Line calibration (TRL) the influences of connectors and adapters at the coaxial line sample holder were removed. The combination of the full two port calibration procedure and broadband modeling approach turns out to achieve a good accordance of modeling and experimental results. The next step is the implementation of an inversion to calculate the material parameters of every layer out of the s-parameters of the layered sample.

Frequency Domain Modelling of Electromagnetic Wave Propagation in Layered Media

NASA Astrophysics Data System (ADS)

Schmidt, Felix; Wagner, Norman; Lünenschloß, Peter; Toepfer, Hannes; Dietrich, Peter; Kaliorias, Andreas; Bumberger, Jan

2015-04-01

The amount of water in porous media such as soils and rocks is a key parameter when water resources are under investigation. Especially the quantitative spatial distribution and temporal evolution of water contents in soil formations are needed. In high frequency electromagnetic applications soil water content is quantitatively derived from the propagation behavior of electromagnetic waves along waveguides embedded in soil formations. The spatial distribution of the dielectric material properties along the waveguide can be estimated by numerical solving of the inverse problem based on the full wave forward model in time or frequency domain. However, current approaches mostly neglect or approximate the frequency dependence of the electromagnetic material properties of transfer function of the waveguide. As a first prove of concept a full two port broadband frequency domain forward model for propagation of transverse electromagnetic (TEM) waves in coaxial waveguide has been implemented. It is based on the propagation matrix approach for layered transmission line sections Depending on the complexity of the material different models for the frequency dependent complex permittivity were applied. For the validation of the model a broadband frequency domain measurement with network analyzer technique was used. The measurement is based on a 20 cm long 50 Ohm 20/46 coaxial transmission line cell considering inhomogeneous material distributions. This approach allows (i) an increase of the waveguide calibration accuracy in comparison to conventional TDR based technique and (ii) the consideration of the broadband permittivity spectrum of the porous material. In order to systematic analyze the model, theoretical results were compared with measurements as well as 3D broadband finite element modeling of homogeneous and layered media in the coaxial transmission line cell. Defined standards (Teflon, dry glass beads, de-ionized water) were placed inside the line as the dielectric layers in different configurations. With a Thru Reflect Line calibration (TRL) the influences of connectors and adapters at the coaxial line sample holder were removed. The combination of the full two port calibration procedure and broadband modeling approach turns out to achieve a good accordance of modeling and experimental results. The next step is the implementation of an inversion to calculate the material parameters of every layer out of the s-parameters of the layered sample.

Theory of concentration dependence in drag reduction by polymers and of the maximum drag reduction asymptote.

PubMed

Benzi, Roberto; Ching, Emily S C; Horesh, Nizan; Procaccia, Itamar

2004-02-20

A simple model of the effect of polymer concentration on the amount of drag reduction in turbulence is presented, simulated, and analyzed. The qualitative phase diagram of drag coefficient versus Reynolds number (Re) is recaptured in this model, including the theoretically elusive onset of drag reduction and the maximum drag reduction (MDR) asymptote. The Re-dependent drag and the MDR are analytically explained, and the dependence of the amount of drag on material parameters is rationalized.

Time dependent behavior of a graphite/thermoplastic composite and the effects of stress and physical aging

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Feldman, Mark

1993-01-01

Two complimentary studies were performed to determine the effects of stress and physical aging on the matrix dominated time dependent properties of IM7/8320 composite. The first of these studies, experimental in nature, used isothermal tensile creep/aging test techniques developed for polymers and adapted them for testing of the composite material. From these tests, the time dependent transverse (S22) and shear (S66) compliance's for an orthotropic plate were found from short term creep compliance measurements at constant, sub-T(sub g) temperatures. These compliance terms were shown to be affected by physical aging. Aging time shift factors and shift rates were found to be a function of temperature and applied stress. The second part of the study relied upon isothermal uniaxial tension tests of IM7/8320 to determine the effects of physical aging on the nonlinear material behavior at elevated temperature. An elastic/viscoplastic constitutive model was used to quantify the effects of aging on the rate-independent plastic and rate-dependent viscoplastic response. Sensitivity of the material constants required by the model to aging time were determined for aging times up to 65 hours. Verification of the analytical model indicated that the effects of prior aging on the nonlinear stress/strain/time data of matrix dominated laminates can be predicted.

An improved interfacial bonding model for material interface modeling

PubMed Central

Lin, Liqiang; Wang, Xiaodu; Zeng, Xiaowei

2016-01-01

An improved interfacial bonding model was proposed from potential function point of view to investigate interfacial interactions in polycrystalline materials. It characterizes both attractive and repulsive interfacial interactions and can be applied to model different material interfaces. The path dependence of work-of-separation study indicates that the transformation of separation work is smooth in normal and tangential direction and the proposed model guarantees the consistency of the cohesive constitutive model. The improved interfacial bonding model was verified through a simple compression test in a standard hexagonal structure. The error between analytical solutions and numerical results from the proposed model is reasonable in linear elastic region. Ultimately, we investigated the mechanical behavior of extrafibrillar matrix in bone and the simulation results agreed well with experimental observations of bone fracture. PMID:28584343

High Speed Dynamics in Brittle Materials

NASA Astrophysics Data System (ADS)

Hiermaier, Stefan

2015-06-01

Brittle Materials under High Speed and Shock loading provide a continuous challenge in experimental physics, analysis and numerical modelling, and consequently for engineering design. The dependence of damage and fracture processes on material-inherent length and time scales, the influence of defects, rate-dependent material properties and inertia effects on different scales make their understanding a true multi-scale problem. In addition, it is not uncommon that materials show a transition from ductile to brittle behavior when the loading rate is increased. A particular case is spallation, a brittle tensile failure induced by the interaction of stress waves leading to a sudden change from compressive to tensile loading states that can be invoked in various materials. This contribution highlights typical phenomena occurring when brittle materials are exposed to high loading rates in applications such as blast and impact on protective structures, or meteorite impact on geological materials. A short review on experimental methods that are used for dynamic characterization of brittle materials will be given. A close interaction of experimental analysis and numerical simulation has turned out to be very helpful in analyzing experimental results. For this purpose, adequate numerical methods are required. Cohesive zone models are one possible method for the analysis of brittle failure as long as some degree of tension is present. Their recent successful application for meso-mechanical simulations of concrete in Hopkinson-type spallation tests provides new insight into the dynamic failure process. Failure under compressive loading is a particular challenge for numerical simulations as it involves crushing of material which in turn influences stress states in other parts of a structure. On a continuum scale, it can be modeled using more or less complex plasticity models combined with failure surfaces, as will be demonstrated for ceramics. Models which take microstructural cracking directly into account may provide a more physics-based approach for compressive failure in the future.

On the sensitivity analysis of porous material models

NASA Astrophysics Data System (ADS)

Ouisse, Morvan; Ichchou, Mohamed; Chedly, Slaheddine; Collet, Manuel

2012-11-01

Porous materials are used in many vibroacoustic applications. Different available models describe their behaviors according to materials' intrinsic characteristics. For instance, in the case of porous material with rigid frame, and according to the Champoux-Allard model, five parameters are employed. In this paper, an investigation about this model sensitivity to parameters according to frequency is conducted. Sobol and FAST algorithms are used for sensitivity analysis. A strong parametric frequency dependent hierarchy is shown. Sensitivity investigations confirm that resistivity is the most influent parameter when acoustic absorption and surface impedance of porous materials with rigid frame are considered. The analysis is first performed on a wide category of porous materials, and then restricted to a polyurethane foam analysis in order to illustrate the impact of the reduction of the design space. In a second part, a sensitivity analysis is performed using the Biot-Allard model with nine parameters including mechanical effects of the frame and conclusions are drawn through numerical simulations.

DEM modeling of flexible structures against granular material avalanches

NASA Astrophysics Data System (ADS)

Lambert, Stéphane; Albaba, Adel; Nicot, François; Chareyre, Bruno

2016-04-01

This article presents the numerical modeling of flexible structures intended to contain avalanches of granular and coarse material (e.g. rock slide, a debris slide). The numerical model is based on a discrete element method (YADE-Dem). The DEM modeling of both the flowing granular material and the flexible structure are detailed before presenting some results. The flowing material consists of a dry polydisperse granular material accounting for the non-sphericity of real materials. The flexible structure consists in a metallic net hanged on main cables, connected to the ground via anchors, on both sides of the channel, including dissipators. All these components were modeled as flexible beams or wires, with mechanical parameters defined from literature data. The simulation results are presented with the aim of investigating the variability of the structure response depending on different parameters related to the structure (inclination of the fence, with/without brakes, mesh size opening), but also to the channel (inclination). Results are then compared with existing recommendations in similar fields.

Time-dependent constitutive modeling of drive belts—II. The effect of the shape of material retardation spectrum on the strain accumulation process

NASA Astrophysics Data System (ADS)

Zupančič, B.; Emri, I.

2009-11-01

This is the second paper in the series addressing the constitutive modeling of dynamically loaded elastomeric products such as power transmission belts. During the normal operation of such belts certain segments of the belt structure are loaded via tooth-like cyclical loading. When the time-dependent properties of the elastomeric material “match” the time-scale of the dynamic loading a strain accumulation (incrementation) process occurs. It was shown that the location of a critical rotation speed strongly depends on the distribution (shape) of the retardation spectrum, whereas the magnitude of the accumulated strain is governed by the strength of the corresponding spectrum lines. These interrelations are extremely non-linear. The strain accumulation process is most intensive at the beginning of the drive belt operation, and is less intensive for longer belts. The strain accumulation process is governed by the spectrum lines that are positioned within a certain region, which we call the Strain Accumulation Window (SAW). An SAW is always located to the right of the spectrum line, L i , at log ( ω λ i )=0, where ω is the operational angular velocity. The width of the SAW depends on the width of the material spectrum. Based on the following analysis a new designing criterion is proposed for use in engineering applications for selecting a proper material for general drive-belt operations.

Dynamic compaction of granular materials

PubMed Central

Favrie, N.; Gavrilyuk, S.

2013-01-01

An Eulerian hyperbolic multiphase flow model for dynamic and irreversible compaction of granular materials is constructed. The reversible model is first constructed on the basis of the classical Hertz theory. The irreversible model is then derived in accordance with the following two basic principles. First, the entropy inequality is satisfied by the model. Second, the corresponding ‘intergranular stress’ coming from elastic energy owing to contact between grains decreases in time (the granular media behave as Maxwell-type materials). The irreversible model admits an equilibrium state corresponding to von Mises-type yield limit. The yield limit depends on the volume fraction of the solid. The sound velocity at the yield surface is smaller than that in the reversible model. The last one is smaller than the sound velocity in the irreversible model. Such an embedded model structure assures a thermodynamically correct formulation of the model of granular materials. The model is validated on quasi-static experiments on loading–unloading cycles. The experimentally observed hysteresis phenomena were numerically confirmed with a good accuracy by the proposed model. PMID:24353466

New material model for simulating large impacts on rocky bodies

NASA Astrophysics Data System (ADS)

Tonge, A.; Barnouin, O.; Ramesh, K.

2014-07-01

Large impact craters on an asteroid can provide insights into its internal structure. These craters can expose material from the interior of the body at the impact site [e.g., 1]; additionally, the impact sends stress waves throughout the body, which interrogate the asteroid's interior. Through a complex interplay of processes, such impacts can result in a variety of motions, the consequence of which may appear as lineaments that are exposed over all or portions of the asteroid's surface [e.g., 2,3]. While analytic, scaling, and heuristic arguments can provide some insight into general phenomena on asteroids, interpreting the results of a specific impact event, or series of events, on a specific asteroid geometry generally necessitates the use of computational approaches that can solve for the stress and displacement history resulting from an impact event. These computational approaches require a constitutive model for the material, which relates the deformation history of a small material volume to the average force on the boundary of that material volume. In this work, we present a new material model that is suitable for simulating the failure of rocky materials during impact events. This material model is similar to the model discussed in [4]. The new material model incorporates dynamic sub-scale crack interactions through a micro-mechanics-based damage model, thermodynamic effects through the use of a Mie-Gruneisen equation of state, and granular flow of the fully damaged material. The granular flow model includes dilatation resulting from the mutual interaction of small fragments of material (grains) as they are forced to slide and roll over each other and includes a P-α type porosity model to account for compaction of the granular material in a subsequent impact event. The micro-mechanics-based damage model provides a direct connection between the flaw (crack) distribution in the material and the rate-dependent strength. By connecting the rate-dependent failure behavior to the sub-scale flaw distribution in the material, we are able to investigate the effect of changing the assumed initial flaw population on an asteroid. Additionally, by simulating the naturally variable local flaw population in a body, we introduce macroscopic variability that is both physical and improves the numerical stability. We have implemented this material model using the Generalized Interpolated Material Point method (GIMP) within the Uintah computational framework [5]. GIMP is an updated Lagrangian formulation, which uses material points to track field quantities in the simulation and a background grid to solve the equations of motion. Since nodal quantities on the grid are mapped from the material points, the grid can be reset at the end of each timestep avoiding mesh entanglement errors associated with Lagrangian finite-element approaches. Since the material points always stay with the same block of material, this method is ideal for history-dependent damage models that are difficult to solve using Eulerian approaches. Finally, using a background grid simplifies the computation of gradients in the material and specifically eliminates the costly neighbor search step in pure particle methods such as SPH. The disadvantage of a background grid is that it must cover the entire simulation domain, not just the location where there is material. This is an acceptable trade-off, because, in our material model, most of the cost of the calculation is confined to the particles and updating the constitutive model. In this work, we demonstrate the strength of our modeling approach by simulating the impact history of Eros. We assume that Eros began as a solid shard of material, consistent with [3], and then simulate the series of impacts that could have formed the three major craters Himeros, Psyche, and Shoemaker. Work presented by Tonge et al. [6] demonstrated that this material model was able to explain the 20 percent porosity of (433) Eros from porosity produced during the formation of Himeros. Additionally, they showed that initial impacts into solid targets are more effective at creating porosity than later impacts into targets that have been significantly damaged. This modeling work suggests that the first large impact on a body like Eros is the most important impact for setting up the observed structure, and the subsequent impacts can make local modifications to the structure, but will not significantly alter the network of cracks developed by the initial impact event. Additional implications of the modeling work for our understanding of the tectonic history of Eros are discussed in the talk by O.S. Barnouin et al., ''The Tectonic Evolution of (433) Eros''.

Zonal Articular Cartilage Possesses Complex Mechanical Behavior Spanning Multiple Length Scales: Dependence on Chemical Heterogeneity, Anisotropy, and Microstructure

NASA Astrophysics Data System (ADS)

Wahlquist, Joseph A.

This work focused on characterizing the mechanical behavior of biological material in physiologically relevant conditions and at sub millimeter length scales. Elucidating the time, length scale, and directionally dependent mechanical behavior of cartilage and other biological materials is critical to adequately recapitulate native mechanosensory cues for cells, create computational models that mimic native tissue behavior, and assess disease progression. This work focused on three broad aspects of characterizing the mechanical behavior of articular cartilage. First, we sought to reveal the causes of time-dependent deformation and variation of mechanical properties with distance from the articular surface. Second, we investigated size dependence of mechanical properties. Finally, we examined material anisotropy of both the calcified and uncalcified tissues of the osteochondral interface. This research provides insight into how articular cartilage serves to support physiologic loads and simultaneously sustain chondrocyte viability.

Three-dimensional finite element models of the human pubic symphysis with viscohyperelastic soft tissues.

PubMed

Li, Zuoping; Alonso, Jorge E; Kim, Jong-Eun; Davidson, James S; Etheridge, Brandon S; Eberhardt, Alan W

2006-09-01

Three-dimensional finite element (FE) models of human pubic symphyses were constructed from computed tomography image data of one male and one female cadaver pelvis. The pubic bones, interpubic fibrocartilaginous disc and four pubic ligaments were segmented semi-automatically and meshed with hexahedral elements using automatic mesh generation schemes. A two-term viscoelastic Prony series, determined by curve fitting results of compressive creep experiments, was used to model the rate-dependent effects of the interpubic disc and the pubic ligaments. Three-parameter Mooney-Rivlin material coefficients were calculated for the discs using a heuristic FE approach based on average experimental joint compression data. Similarly, a transversely isotropic hyperelastic material model was applied to the ligaments to capture average tensile responses. Linear elastic isotropic properties were assigned to bone. The applicability of the resulting models was tested in bending simulations in four directions and in tensile tests of varying load rates. The model-predicted results correlated reasonably with the joint bending stiffnesses and rate-dependent tensile responses measured in experiments, supporting the validity of the estimated material coefficients and overall modeling approach. This study represents an important and necessary step in the eventual development of biofidelic pelvis models to investigate symphysis response under high-energy impact conditions, such as motor vehicle collisions.

Neural network modeling of conditions of destruction of wood plank based on measurements

NASA Astrophysics Data System (ADS)

Filkin, V.; Kaverzneva, T.; Lazovskaya, T.; Lukinskiy, E.; Petrov, A.; Stolyarov, O.; Tarkhov, D.

2016-11-01

The paper deals with the possibility of predicting the ultimate load breaking timber sample based on the loading force dependence on the deflection before destruction. Prediction of mechanical properties of wood is handicapped by complex anisotropic structures. The anisotropic nature of the material and, in a great measure, the random nature of wood grain local features defining moment of destruction lead to a significant dependence of the required load on the individual characteristics of a particular bar. The ultimate load is sought as a function of the coefficients of the neural network approximation of the loading force dependence on the deflection. For this purpose, a number of experiments on timber sample loading until the destruction is conducted. Modeling of the conditions of material destruction may provide the required safety control in building industry.

Assessing the Validity of the Simplified Potential Energy Clock Model for Modeling Glass-Ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jamison, Ryan Dale; Grillet, Anne M.; Stavig, Mark E.

Glass-ceramic seals may be the future of hermetic connectors at Sandia National Laboratories. They have been shown capable of surviving higher temperatures and pressures than amorphous glass seals. More advanced finite-element material models are required to enable model-based design and provide evidence that the hermetic connectors can meet design requirements. Glass-ceramics are composite materials with both crystalline and amorphous phases. The latter gives rise to (non-linearly) viscoelastic behavior. Given their complex microstructures, glass-ceramics may be thermorheologically complex, a behavior outside the scope of currently implemented constitutive models at Sandia. However, it was desired to assess if the Simplified Potential Energymore » Clock (SPEC) model is capable of capturing the material response. Available data for SL 16.8 glass-ceramic was used to calibrate the SPEC model. Model accuracy was assessed by comparing model predictions with shear moduli temperature dependence and high temperature 3-point bend creep data. It is shown that the model can predict the temperature dependence of the shear moduli and 3- point bend creep data. Analysis of the results is presented. Suggestions for future experiments and model development are presented. Though further calibration is likely necessary, SPEC has been shown capable of modeling glass-ceramic behavior in the glass transition region but requires further analysis below the transition region.« less

Preliminary study: Moisture-polymer interaction. Stuby objectives

NASA Technical Reports Server (NTRS)

Wen, L. C.

1985-01-01

The problems associated with mathematically modeling water-module interaction phenomena, including sorption and desorption, diffusion, and permeation are discussed. With reliable analytical models, an extensive materials data base, and solar radiation surface meteorological observations (SOLMET) weather data, predicting module lifetimes in realistic environments can become a practical reality. The status of the present techniques of simulating the various transport mechanisms was reported. The Dent model (a modified Brunauer-Emmet-Teller) approach represented polyvinyl butyral (PVB) sorption data. A 100-layer material model and Fick's diffusion model gave diffusivity values exhibiting adequate agreement with those measured for PVB. Diffusivity of PVB is concentration dependent, decreasing as the water content in PVB increases. The temperature dependence of diffusion in PVB is well modeled by the Arrhenius rate equation. Equilibrium conductivity and leakage current data are well represented by Hearle's model for bulk ionic conductivity. A nodal network analysis using the Systems Improved Numerical Differencing Analyzer (SINDA) Thermal Analyzer gave reasonable correlation with measurable data. It is concluded that realistic lifetime predictions seem to be feasible.

Towards a Simple Constitutive Model for Bread Dough

NASA Astrophysics Data System (ADS)

Tanner, Roger I.

2008-07-01

Wheat flour dough is an example of a soft solid material consisting of a gluten (rubbery) network with starch particles as a filler. The volume fraction of the starch filler is high-typically 60%. A computer-friendly constitutive model has been lacking for this type of material and here we report on progress towards finding such a model. The model must describe the response to small strains, simple shearing starting from rest, simple elongation, biaxial straining, recoil and various other transient flows. A viscoelastic Lodge-type model involving a damage function. which depends on strain from an initial reference state fits the given data well, and it is also able to predict the thickness at exit from dough sheeting, which has been a long-standing unsolved puzzle. The model also shows an apparent rate-dependent yield stress, although no explicit yield stress is built into the model. This behaviour agrees with the early (1934) observations of Schofield and Scott Blair on dough recoil after unloading.

Physically based multiscale-viscoplastic model for metals and steel alloys: Theory and computation

NASA Astrophysics Data System (ADS)

Abed, Farid H.

The main requirement of large deformation problems such as high-speed machining, impact, and various primarily metal forming, is to develop constitutive relations which are widely applicable and capable of accounting for complex paths of deformation. Achieving such desirable goals for material like metals and steel alloys involves a comprehensive study of their microstructures and experimental observations under different loading conditions. In general, metal structures display a strong rate- and temperature-dependence when deformed non-uniformly into the inelastic range. This effect has important implications for an increasing number of applications in structural and engineering mechanics. The mechanical behavior of these applications cannot be characterized by classical (rate-independent) continuum theories because they incorporate no 'material length scales'. It is therefore necessary to develop a rate-dependent (viscoplasticity) continuum theory bridging the gap between the classical continuum theories and the microstructure simulations. Physically based vicoplasticity models for different types of metals (body centered cubic, face centered cubic and hexagonal close-packed) and steel alloys are derived in this work for this purpose. We adopt a multi-scale, hierarchical thermodynamic consistent framework to construct the material constitutive relations for the rate-dependent behavior. The concept of thermal activation energy, dislocations interactions mechanisms and the role of dislocations dynamics in crystals are used in the derivation process taking into consideration the contribution of the plastic strain evolution of dislocation density to the flow stress of polycrystalline metals. Material length scales are implicitly introduced into the governing equations through material rate-dependency (viscosity). The proposed framework is implemented into the commercially well-known finite element software ABAQUS. The finite element simulations of material instability problems converge to meaningful results upon further refinement of the finite element mesh due to the successful incorporation of the material length scale in the model formulations. It is shown that the model predicted results compare very well with different experimental data over a wide range of temperatures (77K°-1000K°) and strain rates (10-3-10 4s-1). It is also concluded from this dissertation that the width of localization zone (shear band) exhibits tremendous changes with different initial temperatures (i.e., different initial viscosities and accordingly different length scales).

Length-Scale Effects and Material Models at Numerical Simulations of Nanoindentation of A Metallic Alloy

NASA Astrophysics Data System (ADS)

Nikolov, N.; Avdjieva, T.; Altaparmakov, I.

2014-06-01

Some specially designed metallic alloys crystallize during process of rapid quenching which aims their amorphization. Nevertheless, change in their mechanical properties could be seen compared to these obtained during conventional technological regimes of cooling. That attracts the attention in this elaboration. Full 3-D numerical simulations of nanoindentation process of two material models are performed. The models reflect equivalent elastic and different plastic material properties. The plastic behaviour of the first one is subjected to yield criterion of Dracker-Prager and this of the second one to yield criterion of Mises. The reported numerical results depending on the nanoindentation scale length of 1000 nanometers, suggest different adequacy of the two yield criteria to the data obtained experimentally with a Zr-Al-Cu-Ni-Mo alloy. It could be speculated that the different effects developed depending on the indenter travel of 1000 nanometers and taken into account in the two yield criteria stand behind this fact and determinate three structural levels of plastic deformation.

The effect of a realistic thermal diffusivity on numerical model of a subducting slab

NASA Astrophysics Data System (ADS)

Maierova, P.; Steinle-Neumann, G.; Cadek, O.

2010-12-01

A number of numerical studies of subducting slab assume simplified (constant or only depth-dependent) models of thermal conductivity. The available mineral physics data indicate, however, that thermal diffusivity is strongly temperature- and pressure-dependent and may also vary among different mantle materials. In the present study, we examine the influence of realistic thermal properties of mantle materials on the thermal state of the upper mantle and the dynamics of subducting slabs. On the basis of the data published in mineral physics literature we compile analytical relationships that approximate the pressure and temperature dependence of thermal diffusivity for major mineral phases of the mantle (olivine, wadsleyite, ringwoodite, garnet, clinopyroxenes, stishovite and perovskite). We propose a simplified composition of mineral assemblages predominating in the subducting slab and the surrounding mantle (pyrolite, mid-ocean ridge basalt, harzburgite) and we estimate their thermal diffusivity using the Hashin-Shtrikman bounds. The resulting complex formula for the diffusivity of each aggregate is then approximated by a simpler analytical relationship that is used in our numerical model as an input parameter. For the numerical modeling we use the Elmer software (open source finite element software for multiphysical problems, see http://www.csc.fi/english/pages/elmer). We set up a 2D Cartesian thermo-mechanical steady-state model of a subducting slab. The model is partly kinematic as the flow is driven by a boundary condition on velocity that is prescribed on the top of the subducting lithospheric plate. Reology of the material is non-linear and is coupled with the thermal equation. Using the realistic relationship for thermal diffusivity of mantle materials, we compute the thermal and flow fields for different input velocity and age of the subducting plate and we compare the results against the models assuming a constant thermal diffusivity. The importance of the realistic description of thermal properties in models of subducted slabs is discussed.

Modeling the Nonlinear, Strain Rate Dependent Deformation of Shuttle Leading Edge Materials with Hydrostatic Stress Effects Included

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Carney, Kelly S.

2004-01-01

An analysis method based on a deformation (as opposed to damage) approach has been developed to model the strain rate dependent, nonlinear deformation of woven ceramic matrix composites, such as the Reinforced Carbon Carbon (RCC) material used on the leading edges of the Space Shuttle. In the developed model, the differences in the tension and compression deformation behaviors have also been accounted for. State variable viscoplastic equations originally developed for metals have been modified to analyze the ceramic matrix composites. To account for the tension/compression asymmetry in the material, the effective stress and effective inelastic strain definitions have been modified. The equations have also been modified to account for the fact that in an orthotropic composite the in-plane shear response is independent of the stiffness in the normal directions. The developed equations have been implemented into LS-DYNA through the use of user defined subroutines (UMATs). Several sample qualitative calculations have been conducted, which demonstrate the ability of the model to qualitatively capture the features of the deformation response present in woven ceramic matrix composites.

Investigation of Laser Parameters in Silicon Pulsed Laser Conduction Welding

NASA Astrophysics Data System (ADS)

Shayganmanesh, Mahdi; Khoshnoud, Afsaneh

2016-03-01

In this paper, laser welding of silicon in conduction mode is investigated numerically. In this study, the effects of laser beam characteristics on the welding have been studied. In order to model the welding process, heat conduction equation is solved numerically and laser beam energy is considered as a boundary condition. Time depended heat conduction equation is used in our calculations to model pulsed laser welding. Thermo-physical and optical properties of the material are considered to be temperature dependent in our calculations. Effects of spatial and temporal laser beam parameters such as laser beam spot size, laser beam quality, laser beam polarization, laser incident angle, laser pulse energy, laser pulse width, pulse repetition frequency and welding speed on the welding characteristics are assessed. The results show that how the temperature dependent thermo-physical and optical parameters of the material are important in laser welding modeling. Also the results show how the parameters of the laser beam influence the welding characteristics.

Modeling the effect of orientation on the shock response of a damageable composite material

NASA Astrophysics Data System (ADS)

Lukyanov, Alexander A.

2012-10-01

A carbon fiber-epoxy composite (CFEC) shock response in the through thickness orientation and in one of the fiber directions is significantly different. The hydrostatic pressure inside anisotropic materials depends on deviatoric strain components as well as volumetric strain. Non-linear effects, such as shock effects, can be incorporated through the volumetric straining in the material. Thus, a new basis is required to couple the anisotropic material stiffness and strength with anisotropic shock effects, associated energy dependence, and damage softening process. This article presents these constitutive equations for shock wave modeling of a damageable carbon fiber-epoxy composite. Modeling the effect of fiber orientation on the shock response of a CFEC has been performed using a generalized decomposition of the stress tensor [A. A. Lukyanov, Int. J. Plast. 24, 140 (2008)] and Mie-Grüneisen's extrapolation of high-pressure shock Hugoniot states to other thermodynamics states for shocked CFEC materials. The three-wave structure (non-linear anisotropic, fracture, and isotropic elastic waves) that accompanies damage softening process is also proposed in this work for describing CFEC behavior under shock loading which allows to remove any discontinuities observed in the linear case for relation between shock velocities and particle velocities [A. A. Lukyanov, Eur. Phys. J. B 74, 35 (2010)]. Different Hugoniot stress levels are obtained when the material is impacted in different directions; their good agreement with the experiment demonstrates that the anisotropic equation of state, strength, and damage model are adequate for the simulation of shock wave propagation within damageable CFEC material. Remarkably, in the through thickness orientation, the material behaves similar to a simple polymer whereas in the fiber direction, the proposed in this paper model explains an initial ramp, before at sufficiently high stresses, and a much faster rising shock above it. The numerical results for shock wave modeling using proposed constitutive equations are presented, discussed, and future studies are outlined.

Investigation of multi-stage cold forward extrusion process using coupled thermo-mechanical finite element analysis

NASA Astrophysics Data System (ADS)

Görtan, Mehmet Okan

2018-05-01

Cold extrusion processes are distinguished by their low material usage as well as great efficiency in the production of mid-range and large component series. Although majority of the cold extruded parts are produced using die systems containing multiple forming stages, this subject has rarely been investigated so far. Therefore, the characteristics of multi-stage cold forward rod extrusion is studied in the current work using thermo-mechanically coupled finite element (FE) analysis. A case hardening steel, 16MnCr5 (1.7131) was used as experimental material. Its strain, strain rate and temperature dependent mechanical characteristics were determined using compression testing and modeled in FE simulations via a Johnson-Cook material model. Friction coefficients for the same material while in contact with a tool steel (1.2379) were determined dependent on temperature and contact pressure using sliding compression test (SCT) and modeled by an adaptive friction model developed by the author. In the first set of simulations, rod material with a diameter of 14.9 mm was extruded down to a diameter of 9.6 mm in a single step using three different die opening angles (2α); 20°, 40° and 60°. In the second set of investigations, the same rod was reduced first to 12 mm and then to 9.6 mm in two steps within the same forming die. Press forces, contact normal stresses between extruded material and forming die, material temperature and axial stresses are compared in these two set of simulations and the differences are discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, Chong

We present a simple approach for determining ion, electron, and radiation temperatures of heterogeneous plasma-photon mixtures, in which temperatures depend on both material type and morphology of the mixture. The solution technique is composed of solving ion, electron, and radiation energy equations for both mixed and pure phases of each material in zones containing random mixture and solving pure material energy equations in subdivided zones using interface reconstruction. Application of interface reconstruction is determined by the material configuration in the surrounding zones. In subdivided zones, subzonal inter-material energy exchanges are calculated by heat fluxes across the material interfaces. Inter-material energymore » exchange in zones with random mixtures is modeled using the length scale and contact surface area models. In those zones, inter-zonal heat flux in each material is determined using the volume fractions.« less

Anomalous solute transport in saturated porous media: Relating transport model parameters to electrical and nuclear magnetic resonance properties

USGS Publications Warehouse

Swanson, Ryan D; Binley, Andrew; Keating, Kristina; France, Samantha; Osterman, Gordon; Day-Lewis, Frederick D.; Singha, Kamini

2015-01-01

The advection-dispersion equation (ADE) fails to describe commonly observed non-Fickian solute transport in saturated porous media, necessitating the use of other models such as the dual-domain mass-transfer (DDMT) model. DDMT model parameters are commonly calibrated via curve fitting, providing little insight into the relation between effective parameters and physical properties of the medium. There is a clear need for material characterization techniques that can provide insight into the geometry and connectedness of pore spaces related to transport model parameters. Here, we consider proton nuclear magnetic resonance (NMR), direct-current (DC) resistivity, and complex conductivity (CC) measurements for this purpose, and assess these methods using glass beads as a control and two different samples of the zeolite clinoptilolite, a material that demonstrates non-Fickian transport due to intragranular porosity. We estimate DDMT parameters via calibration of a transport model to column-scale solute tracer tests, and compare NMR, DC resistivity, CC results, which reveal that grain size alone does not control transport properties and measured geophysical parameters; rather, volume and arrangement of the pore space play important roles. NMR cannot provide estimates of more-mobile and less-mobile pore volumes in the absence of tracer tests because these estimates depend critically on the selection of a material-dependent and flow-dependent cutoff time. Increased electrical connectedness from DC resistivity measurements are associated with greater mobile pore space determined from transport model calibration. CC was hypothesized to be related to length scales of mass transfer, but the CC response is unrelated to DDMT.

Modeling Diffusion Induced Stresses for Lithium-Ion Battery Materials

NASA Astrophysics Data System (ADS)

Chiu Huang, Cheng-Kai

Advancing lithium-ion battery technology is of paramount importance for satisfying the energy storage needs in the U.S., especially for the application in the electric vehicle industry. To provide a better acceleration for electric vehicles, a fast and repeatable discharging rate is required. However, particle fractures and capacity loss have been reported under high current rate (C-rate) during charging/discharging and after a period of cycling. During charging and discharging, lithium ions extract from and intercalate into electrode materials accompanied with the volume change and phase transition between Li-rich phase and Li-poor phase. It is suggested that the diffusion-induced-stress is one of the main reasons causing capacity loss due to the mechanical degradation of electrode particles. Therefore, there is a fundamental need to provide a mechanistic understanding by considering the structure-mechanics-property interactions in lithium-ion battery materials. Among many cathode materials, the olivine-based lithium-iron-phosphate (LiFePO4) with an orthorhombic crystal structure is one of the promising cathode materials for the application in electric vehicles. In this research we first use a multiphysic approach to investigate the stress evolution, especially on the phase boundary during lithiation in single LiFePO4 particles. A diffusion-controlled finite element model accompanied with the experimentally observed phase boundary propagation is developed via a finite element package, ANSYS, in which lithium ion concentration-dependent anisotropic material properties and volume misfits are incorporated. The stress components on the phase boundary are used to explain the Mode I, Mode II, and Mode III fracture propensities in LiFePO4 particles. The elastic strain energy evolution is also discussed to explain why a layer-by-layer lithium insertion mechanism (i.e. first-order phase transformation) is energetically preferred. Another importation issue is how current rate (C-rate) during charging/discharging affects diffusion induced stresses inside electrode materials. For the experimental part we first conduct charging/discharging under different C-rates to observe the voltage responses for commercial LiFePO4 batteries. Then Time-of-Flight Secondary Ion Mass Spectrometry technique is applied to measure the lithium ion intensities in different C-rate charged/discharged samples. These experimental results could be used to support that a more significant voltage fluctuation under high C-rates is due to different lithium insertion mechanisms, rather than the amount of lithium ions intercalated into electrode materials. Thus the investigation of C-rate-dependent stress evolution is required for the development of a more durable lithium ion battery. In this dissertation, we extend the single particle finite element model to investigate the C-rate-dependent diffusion induced stresses in a multi-particle system. Concentration dependent anisotropic material properties, C-rate-dependent volume misfits and concentration dependent Li-ion diffusivity are incorporated in the model. The concentration gradients, diffusion induced stresses, and strain energies under different C-rates are discussed in this study. Particle fractures have been observed in many experimental results, in this study we further discuss the effect of the crack surface orientation on the lithium concentration profile and stress level in cathode materials. The results of this dissertation provide a better understanding of diffusion induced stresses in electrode materials and contribute to our fundamental knowledge of interplay between lithium intercalations, stress evolutions, particle fractures and the capacity fade in lithium-ion batteries.

Understanding the importance of the temperature dependence of viscosity on the crystallization dynamics in the Ge2Sb2Te5 phase-change material

NASA Astrophysics Data System (ADS)

Aladool, A.; Aziz, M. M.; Wright, C. D.

2017-06-01

The crystallization dynamics in the phase-change material Ge2Sb2Te5 is modelled using the more detailed Master equation method over a wide range of heating rates commensurate with published ultrafast calorimetry experiments. Through the attachment and detachment of monomers, the Master rate equation naturally traces nucleation and growth of crystallites with temperature history to calculate the transient distribution of cluster sizes in the material. Both the attachment and detachment rates in this theory are strong functions of viscosity, and thus, the value of viscosity and its dependence on temperature significantly affect the crystallization process. In this paper, we use the physically realistic Mauro-Yue-Ellison-Gupta-Allan viscosity model in the Master equation approach to study the role of the viscosity model parameters on the crystallization dynamics in Ge2Sb2Te5 under ramped annealing conditions with heating rates up to 4 × 104 K/s. Furthermore, due to the relatively low computational cost of the Master equation method compared to atomistic level computations, an iterative numerical approach was developed to fit theoretical Kissinger plots simulated with the Master equation system to experimental Kissinger plots from ultrafast calorimetry measurements at increasing heating rates. This provided a more rigorous method (incorporating both nucleation and growth processes) to extract the viscosity model parameters from the analysis of experimental data. The simulations and analysis revealed the strong coupling between the glass transition temperature and fragility index in the viscosity and crystallization models and highlighted the role of the dependence of the glass transition temperature on the heating rate for the accurate estimation of the fragility index of phase-change materials from the analysis of experimental measurements.

Nonlinear viscoelastic characterization of polymer materials using a dynamic-mechanical methodology

NASA Technical Reports Server (NTRS)

Strganac, Thomas W.; Payne, Debbie Flowers; Biskup, Bruce A.; Letton, Alan

1995-01-01

Polymer materials retrieved from LDEF exhibit nonlinear constitutive behavior; thus the authors present a method to characterize nonlinear viscoelastic behavior using measurements from dynamic (oscillatory) mechanical tests. Frequency-derived measurements are transformed into time-domain properties providing the capability to predict long term material performance without a lengthy experimentation program. Results are presented for thin-film high-performance polymer materials used in the fabrication of high-altitude scientific balloons. Predictions based upon a linear test and analysis approach are shown to deteriorate for moderate to high stress levels expected for extended applications. Tests verify that nonlinear viscoelastic response is induced by large stresses. Hence, an approach is developed in which the stress-dependent behavior is examined in a manner analogous to modeling temperature-dependent behavior with time-temperature correspondence and superposition principles. The development leads to time-stress correspondence and superposition of measurements obtained through dynamic mechanical tests. Predictions of material behavior using measurements based upon linear and nonlinear approaches are compared with experimental results obtained from traditional creep tests. Excellent agreement is shown for the nonlinear model.

Microstructural indicators of transition mechanisms in time-dependent fatigue crack growth in nickel base superalloys

NASA Astrophysics Data System (ADS)

Heeter, Ann E.

Gas turbine engines are an important part of power generation in modern society, especially in the field of aerospace. Aerospace engines are design to last approximately 30 years and the engine components must be designed to survive for the life of the engine or to be replaced at regular intervals to ensure consumer safety. Fatigue crack growth analysis is a vital component of design for an aerospace component. Crack growth modeling and design methods date back to an origin around 1950 with a high rate of accuracy. The new generation of aerospace engines is designed to be efficient as possible and require higher operating temperatures than ever seen before in previous generations. These higher temperatures place more stringent requirements on the material crack growth performance under creep and time dependent conditions. Typically the types of components which are subject to these requirements are rotating disk components which are made from advanced materials such as nickel base superalloys. Traditionally crack growth models have looked at high temperature crack growth purely as a function of temperature and assumed that all crack growth was either controlled by a cycle dependent or time dependent mechanism. This new analysis is trying to evaluate the transition between cycle-dependent and time-dependent mechanism and the microstructural markers that characterize this transitional behavior. The physical indications include both the fracture surface morphology as well as the shape of the crack front. The research will evaluate whether crack tunneling occurs and whether it consistently predicts a transition from cycle-dependent crack growth to time-dependent crack growth. The study is part of a larger research program trying to include the effects of geometry, mission profile and environmental effects, in addition to temperature effects, as a part of the overall crack growth system. The outcome will provide evidence for various transition types and correlate those physical attributes back to the material mechanisms to improve predictive modeling capability.

Mechanical Properties of Nanostructured Materials Determined Through Molecular Modeling Techniques

NASA Technical Reports Server (NTRS)

Clancy, Thomas C.; Gates, Thomas S.

2005-01-01

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.

HEATING 7. 1 user's manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Childs, K.W.

1991-07-01

HEATING is a FORTRAN program designed to solve steady-state and/or transient heat conduction problems in one-, two-, or three- dimensional Cartesian, cylindrical, or spherical coordinates. A model may include multiple materials, and the thermal conductivity, density, and specific heat of each material may be both time- and temperature-dependent. The thermal conductivity may be anisotropic. Materials may undergo change of phase. Thermal properties of materials may be input or may be extracted from a material properties library. Heating generation rates may be dependent on time, temperature, and position, and boundary temperatures may be time- and position-dependent. The boundary conditions, which maymore » be surface-to-boundary or surface-to-surface, may be specified temperatures or any combination of prescribed heat flux, forced convection, natural convection, and radiation. The boundary condition parameters may be time- and/or temperature-dependent. General graybody radiation problems may be modeled with user-defined factors for radiant exchange. The mesh spacing may be variable along each axis. HEATING is variably dimensioned and utilizes free-form input. Three steady-state solution techniques are available: point-successive-overrelaxation iterative method with extrapolation, direct-solution (for one-dimensional or two-dimensional problems), and conjugate gradient. Transient problems may be solved using one of several finite-difference schemes: Crank-Nicolson implicit, Classical Implicit Procedure (CIP), Classical Explicit Procedure (CEP), or Levy explicit method (which for some circumstances allows a time step greater than the CEP stability criterion). The solution of the system of equations arising from the implicit techniques is accomplished by point-successive-overrelaxation iteration and includes procedures to estimate the optimum acceleration parameter.« less

3-D Modeling of Directional Solidification of a Non-Dilute Alloy with Temperature and Concentration Fields Coupling via Materials Properties Dependence and via Double Diffusive Convection

NASA Technical Reports Server (NTRS)

Bune, Andris V.; Gillies, Donald C.; Lehoczky, Sandor L.

1998-01-01

Numerical simulation of the HgCdTe growth by the vertical Bridgman method was performed using FIDAP finite element code. Double-diffusive melt convection is analyzed, as the primary factor at controls inhomogeneity of the solidified material. Temperature and concentration fields in the model are also coupled via material properties, such as thermal and solutal expansion coefficients with the dependence on both temperature and concentration, and melting temperature evaluation from pseudobinary CdTe-HgTe phase diagram. Experimental measurements were used to obtain temperature boundary conditions. Parametric study of the melt convection dependence on the gravity conditions was undertaken. It was found, that the maximum convection velocity in the melt can be reduced under certain conditions. Optimal conditions to obtain a near flat solidified interface are discussed. The predicted interface shape is in agreement with one obtained experimentally by quenching. The results of 3-D calculations are compared with previous 2- D findings. A video film featuring 3-D melt convection will be presented.

Modeling of surface temperature effects on mixed material migration in NSTX-U

NASA Astrophysics Data System (ADS)

Nichols, J. H.; Jaworski, M. A.; Schmid, K.

2016-10-01

NSTX-U will initially operate with graphite walls, periodically coated with thin lithium films to improve plasma performance. However, the spatial and temporal evolution of these films during and after plasma exposure is poorly understood. The WallDYN global mixed-material surface evolution model has recently been applied to the NSTX-U geometry to simulate the evolution of poloidally inhomogenous mixed C/Li/O plasma-facing surfaces. The WallDYN model couples local erosion and deposition processes with plasma impurity transport in a non-iterative, self-consistent manner that maintains overall material balance. Temperature-dependent sputtering of lithium has been added to WallDYN, utilizing an adatom sputtering model developed from test stand experimental data. Additionally, a simplified temperature-dependent diffusion model has been added to WallDYN so as to capture the intercalation of lithium into a graphite bulk matrix. The sensitivity of global lithium migration patterns to changes in surface temperature magnitude and distribution will be examined. The effect of intra-discharge increases in surface temperature due to plasma heating, such as those observed during NSTX Liquid Lithium Divertor experiments, will also be examined. Work supported by US DOE contract DE-AC02-09CH11466.

In vitro chemotaxis and tissue remodeling assays quantitatively characterize foreign body reaction.

PubMed

Jannasch, Maren; Weigel, Tobias; Engelhardt, Lisa; Wiezoreck, Judith; Gaetzner, Sabine; Walles, Heike; Schmitz, Tobias; Hansmann, Jan

2017-01-01

Surgical implantation of a biomaterial triggers foreign-body-induced fibrous encapsulation. Two major mechanisms of this complex physiological process are (I) chemotaxis of fibroblasts from surrounding tissue to the implant region, followed by (II) tissue remodeling. As an alternative to animal studies, we here propose a process-aligned in vitro test platform to investigate the material dependency of fibroblast chemotaxis and tissue remodeling mediated by material-resident macrophages. Embedded in a biomimetic three-dimensional collagen hydrogel, chemotaxis of fibroblasts in the direction of macrophage-material-conditioned cell culture supernatant was analyzed by live cell imaging. A combination of statistical analysis with a complementary parameterized random walk model allowed quantitative and qualitative characterization of the cellular walk process. We thereby identified an increasing macrophage-mediated chemotactic potential ranking of biomaterials from glass over polytetrafluorethylene to titanium. To address long-term effects of bio-material-resident macrophages on fibroblasts in a three-dimensional microenvironment, we further studied tissue remodeling by applying macrophage-material-conditioned medium on fibrous in vitro tissue models. A high correlation of the in vitro tissue model to state of the art in vivo study data was found. Titanium exhibited a significantly lower tissue remodeling capacity compared to polytetrafluorethylene. With this approach, we identified a material dependency of both chemotaxis and tissue remodeling processes, strengthening knowledge on their specific contribution to the foreign body reaction.

Significance of size dependent and material structure coupling on the characteristics and performance of nanocrystalline micro/nano gyroscopes

NASA Astrophysics Data System (ADS)

Larkin, K.; Ghommem, M.; Abdelkefi, A.

2018-05-01

Capacitive-based sensing microelectromechanical (MEMS) and nanoelectromechanical (NEMS) gyroscopes have significant advantages over conventional gyroscopes, such as low power consumption, batch fabrication, and possible integration with electronic circuits. However, inadequacies in the modeling of these inertial sensors have presented issues of reliability and functionality of micro-/nano-scale gyroscopes. In this work, a micromechanical model is developed to represent the unique microstructure of nanocrystalline materials and simulate the response of micro-/nano-gyroscope comprising an electrostatically-actuated cantilever beam with a tip mass at the free end. Couple stress and surface elasticity theories are integrated into the classical Euler-Bernoulli beam model in order to derive a size-dependent model. This model is then used to investigate the influence of size-dependent effects on the static pull-in instability, the natural frequencies and the performance output of gyroscopes as the scale decreases from micro-to nano-scale. The simulation results show significant changes in the static pull-in voltage and the natural frequency as the scale of the system is decreased. However, the differential frequency between the two vibration modes of the gyroscope is observed to drastically decrease as the size of the gyroscope is reduced. As such, the frequency-based operation mode may not be an efficient strategy for nano-gyroscopes. The results show that a strong coupling between the surface elasticity and material structure takes place when smaller grain sizes and higher void percentages are considered.

Computational Simulation of the High Strain Rate Tensile Response of Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.

2002-01-01

A research program is underway to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to high strain rate impact loads. Under these types of loading conditions, the material response can be highly strain rate dependent and nonlinear. State variable constitutive equations based on a viscoplasticity approach have been developed to model the deformation of the polymer matrix. The constitutive equations are then combined with a mechanics of materials based micromechanics model which utilizes fiber substructuring to predict the effective mechanical and thermal response of the composite. To verify the analytical model, tensile stress-strain curves are predicted for a representative composite over strain rates ranging from around 1 x 10(exp -5)/sec to approximately 400/sec. The analytical predictions compare favorably to experimentally obtained values both qualitatively and quantitatively. Effective elastic and thermal constants are predicted for another composite, and compared to finite element results.

Acoustic behavior of a fibrous bulk material. [Kevlar 29 sound absorber

NASA Technical Reports Server (NTRS)

Hersh, A. S.; Walker, B.

1979-01-01

A semiempirical model is presented describing the acoustic behavior of Kevlar 29, a bulk absorbing material. The model is based on an approximate solution to the one-dimensional equations representing conservation of fluctuating mass, momentum and energy. By treating the material as a momentum sink, theoretical expressions of the material complex propagation constants and characteristic impedance were derived in terms of a single constant. Evaluating the constant at a single frequency for a particular specimen, excellent agreement between prediction and measurement was achieved for a large range of sound frequencies and material porosities and thicknesses. Results show that Kevlar 29 absorbs sound efficiently even at low frequencies. This is explained in terms of a frequency dependent material phase speed.

Sensitivity of WallDYN material migration modeling to uncertainties in mixed-material surface binding energies

DOE PAGES

Nichols, J. H.; Jaworski, M. A.; Schmid, K.

2017-03-09

The WallDYN package has recently been applied to a number of tokamaks to self-consistently model the evolution of mixed-material plasma facing surfaces. A key component of the WallDYN model is the concentration-dependent surface sputtering rate, calculated using SDTRIM.SP. This modeled sputtering rate is strongly influenced by the surface binding energies (SBEs) of the constituent materials, which are well known for pure elements but often are poorly constrained for mixed-materials. This work examines the sensitivity of WallDYN surface evolution calculations to different models for mixed-material SBEs, focusing on the carbon/lithium/oxygen/deuterium system present in NSTX. A realistic plasma background is reconstructed frommore » a high density, H-mode NSTX discharge, featuring an attached outer strike point with local density and temperature of 4 × 10 20 m -3 and 4 eV, respectively. It is found that various mixed-material SBE models lead to significant qualitative and quantitative changes in the surface evolution profile at the outer divertor, with the highest leverage parameter being the C-Li binding model. Uncertainties of order 50%, appearing on time scales relevant to tokamak experiments, highlight the importance of choosing an appropriate mixed-material sputtering representation when modeling the surface evolution of plasma facing components. Lastly, these results are generalized to other fusion-relevant materials with different ranges of SBEs.« less

Sensitivity of WallDYN material migration modeling to uncertainties in mixed-material surface binding energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nichols, J. H.; Jaworski, M. A.; Schmid, K.

The WallDYN package has recently been applied to a number of tokamaks to self-consistently model the evolution of mixed-material plasma facing surfaces. A key component of the WallDYN model is the concentration-dependent surface sputtering rate, calculated using SDTRIM.SP. This modeled sputtering rate is strongly influenced by the surface binding energies (SBEs) of the constituent materials, which are well known for pure elements but often are poorly constrained for mixed-materials. This work examines the sensitivity of WallDYN surface evolution calculations to different models for mixed-material SBEs, focusing on the carbon/lithium/oxygen/deuterium system present in NSTX. A realistic plasma background is reconstructed frommore » a high density, H-mode NSTX discharge, featuring an attached outer strike point with local density and temperature of 4 × 10 20 m -3 and 4 eV, respectively. It is found that various mixed-material SBE models lead to significant qualitative and quantitative changes in the surface evolution profile at the outer divertor, with the highest leverage parameter being the C-Li binding model. Uncertainties of order 50%, appearing on time scales relevant to tokamak experiments, highlight the importance of choosing an appropriate mixed-material sputtering representation when modeling the surface evolution of plasma facing components. Lastly, these results are generalized to other fusion-relevant materials with different ranges of SBEs.« less

Hydrostatic Stress Effects Incorporated Into the Analysis of the High-Strain-Rate Deformation of Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Roberts, Gary D.

2003-01-01

Procedures for modeling the effect of high strain rate on composite materials are needed for designing reliable composite engine cases that are lighter than the metal cases in current use. The types of polymer matrix composites that are likely to be used in such an application have a deformation response that is nonlinear and that varies with strain rate. The nonlinearity and strain rate dependence of the composite response is primarily due to the matrix constituent. Therefore, in developing material models to be used in the design of impact-resistant composite engine cases, the deformation of the polymer matrix must be correctly analyzed. However, unlike in metals, the nonlinear response of polymers depends on the hydrostatic stresses, which must be accounted for within an analytical model. An experimental program has been carried out through a university grant with the Ohio State University to obtain tensile and shear deformation data for a representative polymer for strain rates ranging from quasi-static to high rates of several hundred per second. This information has been used at the NASA Glenn Research Center to develop, characterize, and correlate a material model in which the strain rate dependence and nonlinearity (including hydrostatic stress effects) of the polymer are correctly analyzed. To obtain the material data, Glenn s researchers designed and fabricated test specimens of a representative toughened epoxy resin. Quasi-static tests at low strain rates and split Hopkinson bar tests at high strain rates were then conducted at the Ohio State University. The experimental data confirmed the strong effects of strain rate on both the tensile and shear deformation of the polymer. For the analytical model, Glenn researchers modified state variable constitutive equations previously used for the viscoplastic analysis of metals to allow for the analysis of the nonlinear, strain-rate-dependent polymer deformation. Specifically, we accounted for the effects of hydrostatic stresses. An important discovery in the course of this work was that the hydrostatic stress effects varied during the loading process, which needed to be accounted for within the constitutive equations. The model is characterized primarily by shear data, with tensile data used to characterize the hydrostatic stress effects.

Experimental and Analytical Studies for a Computational Materials Program

NASA Technical Reports Server (NTRS)

Knauss, W. G.

1999-01-01

The studies supported by Grant NAG1-1780 were directed at providing physical data on polymer behavior that would form the basis for computationally modeling these types of materials. Because of ongoing work in polymer characterization this grant supported part of a larger picture in this regard. Efforts went into two combined areas of their time dependent mechanical response characteristics: Creep properties on the one hand, subject to different volumetric changes (nonlinearly viscoelastic behavior) and time or frequency dependence of dilatational material behavior. The details of these endeavors are outlined sufficiently in the two appended publications, so that no further description of the effort is necessary.

Microfissuring of Inconel 718

NASA Technical Reports Server (NTRS)

Nunes, A. C., Jr.

1983-01-01

A tentative mathematical computer model of the microfissuring process during electron beam welding of Inconel 718 has been constructed. Predictions of the model are compatible with microfissuring tests on eight 0.25-in. thick test plates. The model takes into account weld power and speed, weld loss (efficiency), parameters and material characteristics. Besides the usual material characteristics (thermal and strength properties), a temperature and grain size dependent critical fracture strain is required by the model. The model is based upon fundamental physical theory (i.e., it is not a mere data interpolation system), and can be extended to other metals by suitable parameter changes.

A Study of Green's Function Methods Applied to Space Radiation Protection

NASA Technical Reports Server (NTRS)

Heinbockel, John H.

2001-01-01

The purpose of this research was to study the propagation of galactic ions through various materials. Galactic light ions result from the break up of heavy ion particles and their propagation through materials is modeled using the one-dimensional Boltzmann equation. When ions enter materials there can occur (i) the interaction of ions with orbital electrons which causes ionization within the material and (ii) ions collide with atoms causing production of secondary particles which penetrate deeper within the material. These processes are modeled by a continuum model. The basic idea is to place a control volume within the material and examine the change in ion flux across this control volume. In this way on can derive the basic equations for the transport of light and heavy ions in matter. Green's function perturbation methods can then be employed to solve the resulting equations using energy dependent nuclear cross sections.

Optimal Bandwidth for High Efficiency Thermoelectrics

NASA Astrophysics Data System (ADS)

Zhou, Jun; Yang, Ronggui; Chen, Gang; Dresselhaus, Mildred S.

2011-11-01

The thermoelectric figure of merit (ZT) in narrow conduction bands of different material dimensionalities is investigated for different carrier scattering models. When the bandwidth is zero, the transport distribution function (TDF) is finite, not infinite as previously speculated by Mahan and Sofo [Proc. Natl. Acad. Sci. U.S.A. 93, 7436 (1996)PNASA60027-842410.1073/pnas.93.15.7436], even though the carrier density of states goes to infinity. Such a finite TDF results in a zero electrical conductivity and thus a zero ZT. We point out that the optimal ZT cannot be found in an extremely narrow conduction band. The existence of an optimal bandwidth for a maximal ZT depends strongly on the scattering models and the dimensionality of the material. A nonzero optimal bandwidth for maximizing ZT also depends on the lattice thermal conductivity. A larger maximum ZT can be obtained for materials with a smaller lattice thermal conductivity.

Dependence of the Radiation Pressure on the Background Refractive Index

NASA Astrophysics Data System (ADS)

Webb, Kevin J.

2013-07-01

The 1978 experiments by Jones and Leslie showing that the radiation pressure on a mirror depends on the background medium refractive index have yet to be adequately explained using a force model and have provided a leading challenge to the Abraham form of the electromagnetic momentum. Those experimental results are predicted for the first time using a force representation that incorporates the Abraham momentum by utilizing the power calibration method employed in the Jones and Leslie experiments. With an extension of the same procedure, the polarization and angle independence of the experimental data are also explained by this model. Prospects are good for this general form of the electromagnetic force density to be effective in predicting other experiments with macroscopic materials. Furthermore, the rigorous representation of material dispersion makes the representation important for metamaterials that operate in the vicinity of homogenized material resonances.

A multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure.

PubMed

Kojic, M; Milosevic, M; Kojic, N; Kim, K; Ferrari, M; Ziemys, A

2014-02-01

Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts.

A multiscale MD–FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure

PubMed Central

Kojic, M.; Milosevic, M.; Kojic, N.; Kim, K.; Ferrari, M.; Ziemys, A.

2014-01-01

Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts. PMID:24578582

Concrete Model Descriptions and Summary of Benchmark Studies for Blast Effects Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noble, C; Kokko, E; Darnell, I

2005-07-21

Concrete is perhaps one of the most widely used construction materials in the world. Engineers use it to build massive concrete dams, concrete waterways, highways, bridges, and even nuclear reactors. The advantages of using concrete is that it can be cast into any desired shape, it is durable, and very economical compared to structural steel. The disadvantages are its low tensile strength, low ductility, and low strength-to-weight ratio. Concrete is a composite material that consists of a coarse granular material, or aggregate, embedded in a hard matrix of material, or cement, which fills the gaps between the aggregates and bindsmore » them together. Concrete properties, however, vary widely. The properties depend on the choice of materials used and the proportions for a particular application, as well as differences in fabrication techniques. Table 1 provides a listing of typical engineering properties for structural concrete. Properties also depend on the level of concrete confinement, or hydrostatic pressure, the material is being subjected to. In general, concrete is rarely subjected to a single axial stress. The material may experience a combination of stresses all acting simultaneously. The behavior of concrete under these combined stresses are, however, extremely difficult to characterize. In addition to the type of loading, one must also consider the stress history of the material. Failure is determined not only by the ultimate stresses, but also by the rate of loading and the order in which these stresses were applied. The concrete model described herein accounts for this complex behavior of concrete. It was developed by Javier Malvar, Jim Wesevich, and John Crawford of Karagozian and Case, and Don Simon of Logicon RDA in support of the Defense Threat Reduction Agency's programs. The model is an enhanced version of the Concrete/Geological Material Model 16 in the Lagrangian finite element code DYNA3D. The modifications that were made to the original model ensured that the material response followed experimental observations for standard uniaxial, biaxial, and triaxial tests for both tension and compression type loading. A disadvantage of using this material model, however, is the overwhelming amount of input that is required from the user. Therefore, the goal of this report is to provide future users with the tools necessary for successfully using this model.« less

Material Characterization and Computer Model Simulation of Low Density Polyurethane Foam Used in a Rodent Traumatic Brain Injury Model

PubMed Central

Zhang, Liying; Gurao, Manish; Yang, King H.; King, Albert I.

2011-01-01

Computer models of the head can be used to simulate the events associated with traumatic brain injury (TBI) and quantify biomechanical response within the brain. Marmarou’s impact acceleration rodent model is a widely used experimental model of TBI mirroring axonal pathology in humans. The mechanical properties of the low density polyurethane (PU) foam, an essential piece of energy management used in Marmarou’s impact device, has not been fully characterized. The foam used in Marmarou’s device was tested at seven strain rates ranging from quasi-static to dynamic (0.014 ~ 42.86 s−1) to quantify the stress-strain relationships in compression. Recovery rate of the foam after cyclic compression was also determined through the periods of recovery up to three weeks. The experimentally determined stress-strain curves were incorporated into a material model in an explicit Finite Element (FE) solver to validate the strain rate dependency of the FE foam model. Compression test results have shown that the foam used in the rodent impact acceleration model is strain rate dependent. The foam has been found to be reusable for multiple impacts. However the stress resistance of used foam is reduced to 70% of the new foam. The FU_CHANG_FOAM material model in an FE solver has been found to be adequate to simulate this rate sensitive foam. PMID:21459114

Material characterization and computer model simulation of low density polyurethane foam used in a rodent traumatic brain injury model.

PubMed

Zhang, Liying; Gurao, Manish; Yang, King H; King, Albert I

2011-05-15

Computer models of the head can be used to simulate the events associated with traumatic brain injury (TBI) and quantify biomechanical response within the brain. Marmarou's impact acceleration rodent model is a widely used experimental model of TBI mirroring axonal pathology in humans. The mechanical properties of the low density polyurethane (PU) foam, an essential piece of energy management used in Marmarou's impact device, has not been fully characterized. The foam used in Marmarou's device was tested at seven strain rates ranging from quasi-static to dynamic (0.014-42.86 s⁻¹) to quantify the stress-strain relationships in compression. Recovery rate of the foam after cyclic compression was also determined through the periods of recovery up to three weeks. The experimentally determined stress-strain curves were incorporated into a material model in an explicit Finite Element (FE) solver to validate the strain rate dependency of the FE foam model. Compression test results have shown that the foam used in the rodent impact acceleration model is strain rate dependent. The foam has been found to be reusable for multiple impacts. However the stress resistance of used foam is reduced to 70% of the new foam. The FU_CHANG_FOAM material model in an FE solver has been found to be adequate to simulate this rate sensitive foam. Copyright © 2011 Elsevier B.V. All rights reserved.

Modeling Creep Effects within SiC/SiC Turbine Components

NASA Technical Reports Server (NTRS)

DiCarlo, J. A.; Lang, J.

2008-01-01

Anticipating the implementation of advanced SiC/SiC ceramic composites into the hot section components of future gas turbine engines, the primary objective of this on-going study is to develop physics-based analytical and finite-element modeling tools to predict the effects of constituent creep on SiC/SiC component service life. A second objective is to understand how to possibly select and manipulate constituent materials, processes, and geometries in order to minimize these effects. In initial studies aimed at SiC/SiC components experiencing through-thickness stress gradients, creep models were developed that allowed an understanding of detrimental residual stress effects that can develop globally within the component walls. It was assumed that the SiC/SiC composites behaved as isotropic visco-elastic materials with temperature-dependent creep behavior as experimentally measured in-plane in the fiber direction of advanced thin-walled 2D SiC/SiC panels. The creep models and their key results are discussed assuming state-of-the-art SiC/SiC materials within a simple cylindrical thin-walled tubular structure, which is currently being employed to model creep-related effects for turbine airfoil leading edges subjected to through-thickness thermal stress gradients. Improvements in the creep models are also presented which focus on constituent behavior with more realistic non-linear stress dependencies in order to predict such key creep-related SiC/SiC properties as time-dependent matrix stress, constituent creep and content effects on composite creep rates and rupture times, and stresses on fiber and matrix during and after creep.

Crystal viscoplasticity model for the creep-fatigue interactions in single-crystal Ni-base superalloy CMSX-8

DOE Office of Scientific and Technical Information (OSTI.GOV)

Estrada Rodas, Ernesto A.; Neu, Richard W.

A crystal viscoplasticity (CVP) model for the creep-fatigue interactions of nickel-base superalloy CMSX-8 is proposed. At the microstructure scale of relevance, the superalloys are a composite material comprised of a γ phase and a γ' strengthening phase with unique deformation mechanisms that are highly dependent on temperature. Considering the differences in the deformation of the individual material phases is paramount to predicting the deformation behavior of superalloys at a wide range of temperatures. In this work, we account for the relevant deformation mechanisms that take place in both material phases by utilizing two additive strain rates to model the deformationmore » on each material phase. The model is capable of representing the creep-fatigue interactions in single-crystal superalloys for realistic 3-dimensional components in an Abaqus User Material Subroutine (UMAT). Using a set of material parameters calibrated to superalloy CMSX-8, the model predicts creep-fatigue, fatigue and thermomechanical fatigue behavior of this single-crystal superalloy. In conclusion, a sensitivity study of the material parameters is done to explore the effect on the deformation due to changes in the material parameters relevant to the microstructure.« less

Crystal viscoplasticity model for the creep-fatigue interactions in single-crystal Ni-base superalloy CMSX-8

DOE PAGES

Estrada Rodas, Ernesto A.; Neu, Richard W.

2017-09-11

A crystal viscoplasticity (CVP) model for the creep-fatigue interactions of nickel-base superalloy CMSX-8 is proposed. At the microstructure scale of relevance, the superalloys are a composite material comprised of a γ phase and a γ' strengthening phase with unique deformation mechanisms that are highly dependent on temperature. Considering the differences in the deformation of the individual material phases is paramount to predicting the deformation behavior of superalloys at a wide range of temperatures. In this work, we account for the relevant deformation mechanisms that take place in both material phases by utilizing two additive strain rates to model the deformationmore » on each material phase. The model is capable of representing the creep-fatigue interactions in single-crystal superalloys for realistic 3-dimensional components in an Abaqus User Material Subroutine (UMAT). Using a set of material parameters calibrated to superalloy CMSX-8, the model predicts creep-fatigue, fatigue and thermomechanical fatigue behavior of this single-crystal superalloy. In conclusion, a sensitivity study of the material parameters is done to explore the effect on the deformation due to changes in the material parameters relevant to the microstructure.« less

Finite difference time domain electromagnetic scattering from frequency-dependent lossy materials

NASA Technical Reports Server (NTRS)

Luebbers, Raymond J.; Beggs, John H.

1991-01-01

Four different FDTD computer codes and companion Radar Cross Section (RCS) conversion codes on magnetic media are submitted. A single three dimensional dispersive FDTD code for both dispersive dielectric and magnetic materials was developed, along with a user's manual. The extension of FDTD to more complicated materials was made. The code is efficient and is capable of modeling interesting radar targets using a modest computer workstation platform. RCS results for two different plate geometries are reported. The FDTD method was also extended to computing far zone time domain results in two dimensions. Also the capability to model nonlinear materials was incorporated into FDTD and validated.

Prediction of indoor radon/thoron concentration in a model room from exhalation rates of building materials for different ventilation rates

NASA Astrophysics Data System (ADS)

Kumar, Manish; Sharma, Navjeet; Sarin, Amit

2018-05-01

Studies have confirmed that elevated levels of radon/thoron in the human-environments can substantially increase the risk of lung cancer in general population. The building materials are the second largest contributors to indoor radon/thoron after soil and bedrock beneath dwellings. In present investigation, the exhalation rates of radon/thoron from different building materials samples have been analysed using active technique. Radon/thoron concentrations in a model room have been predicted based on the exhalation rates from walls, floor and roof. The indoor concentrations show significant variations depending upon the ventilation rate and type of building materials used.

Transverse crack initiation under combined thermal and mechanical loading of Fibre Metal Laminates and Glass Fibre Reinforced Polymers

NASA Astrophysics Data System (ADS)

van de Camp, W.; Dhallé, M. M. J.; Warnet, L.; Wessel, W. A. J.; Vos, G. S.; Akkerman, R.; ter Brake, H. J. M.

2017-02-01

The paper describes a temperature-dependent extension of the classical laminate theory (CLT) that may be used to predict the mechanical behaviour of Fibre Metal Laminates (FML) at cryogenic conditions, including crack initiation. FML are considered as a possible alternative class of structural materials for the transport and storage of liquified gasses such as LNG. Combining different constituents in a laminate opens up the possibility to enhance its functionality, e.g. offering lower specific weight and increased damage tolerance. To explore this possibility, a test programme is underway at the University of Twente to study transverse crack initiation in different material combinations under combined thermal and mechanical loading. Specifically, the samples are tested in a three-point bending experiment at temperatures ranging from 77 to 293 K. These tests will serve as a validation of the model presented in this paper which, by incorporating temperature-dependent mechanical properties and differential thermal expansion, will allow to select optimal material combinations and laminate layouts. By combining the temperature-dependent mechanical properties and the differential thermal contraction explicitly, the model allows for a more accurate estimate of the resulting thermal stresses which can then be compared to the strength of the constituent materials.

Characterization of material parameters for high speed forming and cutting via experiment and inverse simulation

NASA Astrophysics Data System (ADS)

Scheffler, Christian; Psyk, Verena; Linnemann, Maik; Tulke, Marc; Brosius, Alexander; Landgrebe, Dirk

2018-05-01

High speed velocity effects in production technology provide a broad range of technological and economic advantages [1, 2]. However, exploiting them necessitates the knowledge of strain rate dependent material behavior in process modelling. In general, high speed material data characterization features several difficulties and requires sophisticated approaches in order to provide reliable material data. This paper proposes two innovative concepts with electromagnetic and pneumatic drive and an approach for material characterization in terms of strain rate dependent flow curves and parameters of failure or damage models. The test setups have been designed for investigations of strain rates up to 105 s-1. In principle, knowledge about the temporary courses and local distributions of stress and strain in the specimen is essential for identifying material characteristics, but short process times, fast changes of the measurement values, small specimen size and frequently limited accessibility of the specimen during the test hinder directly measuring these parameters at high-velocity testing. Therefore, auxiliary test parameters, which are easier to measure, are recorded and used as input data for an inverse numerical simulation that provides the desired material characteristics, e.g. the Johnson-Cook parameters, as a result. These parameters are a force equivalent strain signal on a measurement body and the displacement of the upper specimen edge.

Effect of primary and secondary parameters on analytical estimation of effective thermal conductivity of two phase materials using unit cell approach

NASA Astrophysics Data System (ADS)

S, Chidambara Raja; P, Karthikeyan; Kumaraswamidhas, L. A.; M, Ramu

2018-05-01

Most of the thermal design systems involve two phase materials and analysis of such systems requires detailed understanding of the thermal characteristics of the two phase material. This article aimed to develop geometry dependent unit cell approach model by considering the effects of all primary parameters (conductivity ratio and concentration) and secondary parameters (geometry, contact resistance, natural convection, Knudsen and radiation) for the estimation of effective thermal conductivity of two-phase materials. The analytical equations have been formulated based on isotherm approach for 2-D and 3-D spatially periodic medium. The developed models are validated with standard models and suited for all kind of operating conditions. The results have shown substantial improvement compared to the existing models and are in good agreement with the experimental data.

ICME for Crashworthiness of TWIP Steels: From Ab Initio to the Crash Performance

NASA Astrophysics Data System (ADS)

Güvenç, O.; Roters, F.; Hickel, T.; Bambach, M.

2015-01-01

During the last decade, integrated computational materials engineering (ICME) emerged as a field which aims to promote synergetic usage of formerly isolated simulation models, data and knowledge in materials science and engineering, in order to solve complex engineering problems. In our work, we applied the ICME approach to a crash box, a common automobile component crucial to passenger safety. A newly developed high manganese steel was selected as the material of the component and its crashworthiness was assessed by simulated and real drop tower tests. The crashworthiness of twinning-induced plasticity (TWIP) steel is intrinsically related to the strain hardening behavior caused by the combination of dislocation glide and deformation twinning. The relative contributions of those to the overall hardening behavior depend on the stacking fault energy (SFE) of the selected material. Both the deformation twinning mechanism and the stacking fault energy are individually well-researched topics, but especially for high-manganese steels, the determination of the stacking-fault energy and the occurrence of deformation twinning as a function of the SFE are crucial to understand the strain hardening behavior. We applied ab initio methods to calculate the stacking fault energy of the selected steel composition as an input to a recently developed strain hardening model which models deformation twinning based on the SFE-dependent dislocation mechanisms. This physically based material model is then applied to simulate a drop tower test in order to calculate the energy absorption capacity of the designed component. The results are in good agreement with experiments. The model chain links the crash performance to the SFE and hence to the chemical composition, which paves the way for computational materials design for crashworthiness.

Polyenergetic known-component CT reconstruction with unknown material compositions and unknown x-ray spectra

NASA Astrophysics Data System (ADS)

Xu, S.; Uneri, A.; Khanna, A. Jay; Siewerdsen, J. H.; Stayman, J. W.

2017-04-01

Metal artifacts can cause substantial image quality issues in computed tomography. This is particularly true in interventional imaging where surgical tools or metal implants are in the field-of-view. Moreover, the region-of-interest is often near such devices which is exactly where image quality degradations are largest. Previous work on known-component reconstruction (KCR) has shown the incorporation of a physical model (e.g. shape, material composition, etc) of the metal component into the reconstruction algorithm can significantly reduce artifacts even near the edge of a metal component. However, for such approaches to be effective, they must have an accurate model of the component that include energy-dependent properties of both the metal device and the CT scanner, placing a burden on system characterization and component material knowledge. In this work, we propose a modified KCR approach that adopts a mixed forward model with a polyenergetic model for the component and a monoenergetic model for the background anatomy. This new approach called Poly-KCR jointly estimates a spectral transfer function associated with known components in addition to the background attenuation values. Thus, this approach eliminates both the need to know component material composition a prior as well as the requirement for an energy-dependent characterization of the CT scanner. We demonstrate the efficacy of this novel approach and illustrate its improved performance over traditional and model-based iterative reconstruction methods in both simulation studies and in physical data including an implanted cadaver sample.

Loading mode dependent effective properties of octet-truss lattice structures using 3D-printing

NASA Astrophysics Data System (ADS)

Challapalli, Adithya

Cellular materials, often called lattice materials, are increasingly receiving attention for their ultralight structures with high specific strength, excellent impact absorption, acoustic insulation, heat dissipation media and compact heat exchangers. In alignment with emerging additive manufacturing (AM) technology, realization of the structural applications of the lattice materials appears to be becoming faster. Considering the direction dependent material properties of the products with AM, by directionally dependent printing resolution, effective moduli of lattice structures appear to be directionally dependent. In this paper, a constitutive model of a lattice structure, which is an octet-truss with a base material having an orthotropic material property considering AM is developed. In a case study, polyjet based 3D printing material having an orthotropic property with a 9% difference in the principal direction provides difference in the axial and shear moduli in the octet-truss by 2.3 and 4.6%. Experimental validation for the effective properties of a 3D printed octet-truss is done for uniaxial tension and compression test. The theoretical value based on the micro-buckling of truss member are used to estimate the failure strength. Modulus value appears a little overestimate compared with the experiment. Finite element (FE) simulations for uniaxial compression and tension of octettruss lattice materials are conducted. New effective properties for the octet-truss lattice structure are developed considering the observed behavior of the octet-truss structure under macroscopic compression and tension trough simulations.

Modeling shockwaves and impact phenomena with Eulerian peridynamics

DOE PAGES

Silling, Stewart A.; Parks, Michael L.; Kamm, James R.; ...

2017-05-09

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 deformationsmore » 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.« less

Modeling shockwaves and impact phenomena with Eulerian peridynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Silling, Stewart A.; Parks, Michael L.; Kamm, James R.

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 deformationsmore » 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.« less

Particle size distribution: A key factor in estimating powder dustiness.

PubMed

López Lilao, Ana; Sanfélix Forner, Vicenta; Mallol Gasch, Gustavo; Monfort Gimeno, Eliseo

2017-12-01

A wide variety of raw materials, involving more than 20 samples of quartzes, feldspars, nephelines, carbonates, dolomites, sands, zircons, and alumina, were selected and characterised. Dustiness, i.e., a materials' tendency to generate dust on handling, was determined using the continuous drop method. These raw materials were selected to encompass a wide range of particle sizes (1.6-294 µm) and true densities (2650-4680 kg/m 3 ). The dustiness of the raw materials, i.e., their tendency to generate dust on handling, was determined using the continuous drop method. The influence of some key material parameters (particle size distribution, flowability, and specific surface area) on dustiness was assessed. In this regard, dustiness was found to be significantly affected by particle size distribution. Data analysis enabled development of a model for predicting the dustiness of the studied materials, assuming that dustiness depended on the particle fraction susceptible to emission and on the bulk material's susceptibility to release these particles. On the one hand, the developed model allows the dustiness mechanisms to be better understood. In this regard, it may be noted that relative emission increased with mean particle size. However, this did not necessarily imply that dustiness did, because dustiness also depended on the fraction of particles susceptible to be emitted. On the other hand, the developed model enables dustiness to be estimated using just the particle size distribution data. The quality of the fits was quite good and the fact that only particle size distribution data are needed facilitates industrial application, since these data are usually known by raw materials managers, thus making additional tests unnecessary. This model may therefore be deemed a key tool in drawing up efficient preventive and/or corrective measures to reduce dust emissions during bulk powder processing, both inside and outside industrial facilities. It is recommended, however, to use the developed model only if particle size, true density, moisture content, and shape lie within the studied ranges.

Coupled Monte Carlo neutronics and thermal hydraulics for power reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bernnat, W.; Buck, M.; Mattes, M.

The availability of high performance computing resources enables more and more the use of detailed Monte Carlo models even for full core power reactors. The detailed structure of the core can be described by lattices, modeled by so-called repeated structures e.g. in Monte Carlo codes such as MCNP5 or MCNPX. For cores with mainly uniform material compositions, fuel and moderator temperatures, there is no problem in constructing core models. However, when the material composition and the temperatures vary strongly a huge number of different material cells must be described which complicate the input and in many cases exceed code ormore » memory limits. The second problem arises with the preparation of corresponding temperature dependent cross sections and thermal scattering laws. Only if these problems can be solved, a realistic coupling of Monte Carlo neutronics with an appropriate thermal-hydraulics model is possible. In this paper a method for the treatment of detailed material and temperature distributions in MCNP5 is described based on user-specified internal functions which assign distinct elements of the core cells to material specifications (e.g. water density) and temperatures from a thermal-hydraulics code. The core grid itself can be described with a uniform material specification. The temperature dependency of cross sections and thermal neutron scattering laws is taken into account by interpolation, requiring only a limited number of data sets generated for different temperatures. Applications will be shown for the stationary part of the Purdue PWR benchmark using ATHLET for thermal- hydraulics and for a generic Modular High Temperature reactor using THERMIX for thermal- hydraulics. (authors)« less

Advances in heat conduction models and approaches for the prediction of lattice thermal conductivity of dielectric materials

NASA Astrophysics Data System (ADS)

Saikia, Banashree

2017-03-01

An overview of predominant theoretical models used for predicting the thermal conductivities of dielectric materials is given. The criteria used for different theoretical models are explained. This overview highlights a unified theory based on temperature-dependent thermal-conductivity theories, and a drifting of the equilibrium phonon distribution function due to normal three-phonon scattering processes causes transfer of phonon momentum to (a) the same phonon modes (KK-S model) and (b) across the phonon modes (KK-H model). Estimates of the lattice thermal conductivities of LiF and Mg2Sn for the KK-H model are presented graphically.

Working memory differences in long-distance dependency resolution

PubMed Central

Nicenboim, Bruno; Vasishth, Shravan; Gattei, Carolina; Sigman, Mariano; Kliegl, Reinhold

2015-01-01

There is a wealth of evidence showing that increasing the distance between an argument and its head leads to more processing effort, namely, locality effects; these are usually associated with constraints in working memory (DLT: Gibson, 2000; activation-based model: Lewis and Vasishth, 2005). In SOV languages, however, the opposite effect has been found: antilocality (see discussion in Levy et al., 2013). Antilocality effects can be explained by the expectation-based approach as proposed by Levy (2008) or by the activation-based model of sentence processing as proposed by Lewis and Vasishth (2005). We report an eye-tracking and a self-paced reading study with sentences in Spanish together with measures of individual differences to examine the distinction between expectation- and memory-based accounts, and within memory-based accounts the further distinction between DLT and the activation-based model. The experiments show that (i) antilocality effects as predicted by the expectation account appear only for high-capacity readers; (ii) increasing dependency length by interposing material that modifies the head of the dependency (the verb) produces stronger facilitation than increasing dependency length with material that does not modify the head; this is in agreement with the activation-based model but not with the expectation account; and (iii) a possible outcome of memory load on low-capacity readers is the increase in regressive saccades (locality effects as predicted by memory-based accounts) or, surprisingly, a speedup in the self-paced reading task; the latter consistent with good-enough parsing (Ferreira et al., 2002). In sum, the study suggests that individual differences in working memory capacity play a role in dependency resolution, and that some of the aspects of dependency resolution can be best explained with the activation-based model together with a prediction component. PMID:25852623

Working memory differences in long-distance dependency resolution.

PubMed

Nicenboim, Bruno; Vasishth, Shravan; Gattei, Carolina; Sigman, Mariano; Kliegl, Reinhold

2015-01-01

There is a wealth of evidence showing that increasing the distance between an argument and its head leads to more processing effort, namely, locality effects; these are usually associated with constraints in working memory (DLT: Gibson, 2000; activation-based model: Lewis and Vasishth, 2005). In SOV languages, however, the opposite effect has been found: antilocality (see discussion in Levy et al., 2013). Antilocality effects can be explained by the expectation-based approach as proposed by Levy (2008) or by the activation-based model of sentence processing as proposed by Lewis and Vasishth (2005). We report an eye-tracking and a self-paced reading study with sentences in Spanish together with measures of individual differences to examine the distinction between expectation- and memory-based accounts, and within memory-based accounts the further distinction between DLT and the activation-based model. The experiments show that (i) antilocality effects as predicted by the expectation account appear only for high-capacity readers; (ii) increasing dependency length by interposing material that modifies the head of the dependency (the verb) produces stronger facilitation than increasing dependency length with material that does not modify the head; this is in agreement with the activation-based model but not with the expectation account; and (iii) a possible outcome of memory load on low-capacity readers is the increase in regressive saccades (locality effects as predicted by memory-based accounts) or, surprisingly, a speedup in the self-paced reading task; the latter consistent with good-enough parsing (Ferreira et al., 2002). In sum, the study suggests that individual differences in working memory capacity play a role in dependency resolution, and that some of the aspects of dependency resolution can be best explained with the activation-based model together with a prediction component.

Development of constitutive models for cyclic plasticity and creep behavior of super alloys at high temperature

NASA Technical Reports Server (NTRS)

Haisler, W. E.

1983-01-01

An uncoupled constitutive model for predicting the transient response of thermal and rate dependent, inelastic material behavior was developed. The uncoupled model assumes that there is a temperature below which the total strain consists essentially of elastic and rate insensitive inelastic strains only. Above this temperature, the rate dependent inelastic strain (creep) dominates. The rate insensitive inelastic strain component is modelled in an incremental form with a yield function, blow rule and hardening law. Revisions to the hardening rule permit the model to predict temperature-dependent kinematic-isotropic hardening behavior, cyclic saturation, asymmetric stress-strain response upon stress reversal, and variable Bauschinger effect. The rate dependent inelastic strain component is modelled using a rate equation in terms of back stress, drag stress and exponent n as functions of temperature and strain. A sequence of hysteresis loops and relaxation tests are utilized to define the rate dependent inelastic strain rate. Evaluation of the model has been performed by comparison with experiments involving various thermal and mechanical load histories on 5086 aluminum alloy, 304 stainless steel and Hastelloy X.

Vapor shielding models and the energy absorbed by divertor targets during transient events

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skovorodin, D. I., E-mail: dskovorodin@gmail.com; Arakcheev, A. S.; Pshenov, A. A.

2016-02-15

The erosion of divertor targets caused by high heat fluxes during transients is a serious threat to ITER operation, as it is going to be the main factor determining the divertor lifetime. Under the influence of extreme heat fluxes, the surface temperature of plasma facing components can reach some certain threshold, leading to an onset of intense material evaporation. The latter results in formation of cold dense vapor and secondary plasma cloud. This layer effectively absorbs the energy of the incident plasma flow, turning it into its own kinetic and internal energy and radiating it. This so called vapor shieldingmore » is a phenomenon that may help mitigating the erosion during transient events. In particular, the vapor shielding results in saturation of energy (per unit surface area) accumulated by the target during single pulse of heat load at some level E{sub max}. Matching this value is one of the possible tests to verify complicated numerical codes, developed to calculate the erosion rate during abnormal events in tokamaks. The paper presents three very different models of vapor shielding, demonstrating that E{sub max} depends strongly on the heat pulse duration, thermodynamic properties, and evaporation energy of the irradiated target material. While its dependence on the other shielding details such as radiation capabilities of material and dynamics of the vapor cloud is logarithmically weak. The reason for this is a strong (exponential) dependence of the target material evaporation rate, and therefore the “strength” of vapor shield on the target surface temperature. As a result, the influence of the vapor shielding phenomena details, such as radiation transport in the vapor cloud and evaporated material dynamics, on the E{sub max} is virtually completely masked by the strong dependence of the evaporation rate on the target surface temperature. However, the very same details define the amount of evaporated particles, needed to provide an effective shielding to the target, and, therefore, strongly influence resulting erosion rate. Thus, E{sub max} cannot be used for validation of shielding models and codes, aimed at the target material erosion calculations.« less

Incorporation of Damage and Failure into an Orthotropic Elasto-Plastic Three-Dimensional Model with Tabulated Input Suitable for Use in Composite Impact Problems

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Carney, Kelly S.; Dubois, Paul; Hoffarth, Canio; Khaled, Bilal; Rajan, Subramaniam; Blankenhorn, Gunther

2016-01-01

A material model which incorporates several key capabilities which have been identified by the aerospace community as lacking in the composite impact models currently available in LS-DYNA(Registered Trademark) is under development. In particular, the material model, which is being implemented as MAT 213 into a tailored version of LS-DYNA being jointly developed by the FAA and NASA, incorporates both plasticity and damage within the material model, utilizes experimentally based tabulated input to define the evolution of plasticity and damage as opposed to specifying discrete input parameters (such as modulus and strength), and is able to analyze the response of composites composed with a variety of fiber architectures. The plasticity portion of the orthotropic, three-dimensional, macroscopic composite constitutive model is based on an extension of the Tsai-Wu composite failure model into a generalized yield function with a non-associative flow rule. The capability to account for the rate and temperature dependent deformation response of composites has also been incorporated into the material model. For the damage model, a strain equivalent formulation is utilized to allow for the uncoupling of the deformation and damage analyses. In the damage model, a diagonal damage tensor is defined to account for the directionally dependent variation of damage. However, in composites it has been found that loading in one direction can lead to damage in multiple coordinate directions. To account for this phenomena, the terms in the damage matrix are semi-coupled such that the damage in a particular coordinate direction is a function of the stresses and plastic strains in all of the coordinate directions. The onset of material failure, and thus element deletion, is being developed to be a function of the stresses and plastic strains in the various coordinate directions. Systematic procedures are being developed to generate the required input parameters based on the results of experimental tests.

Physically-based strength model of tantalum incorporating effects of temperature, strain rate and pressure

DOE PAGES

Lim, Hojun; Battaile, Corbett C.; Brown, Justin L.; ...

2016-06-14

In this work, we develop a tantalum strength model that incorporates e ects of temperature, strain rate and pressure. Dislocation kink-pair theory is used to incorporate temperature and strain rate e ects while the pressure dependent yield is obtained through the pressure dependent shear modulus. Material constants used in the model are parameterized from tantalum single crystal tests and polycrystalline ramp compression experiments. It is shown that the proposed strength model agrees well with the temperature and strain rate dependent yield obtained from polycrystalline tantalum experiments. Furthermore, the model accurately reproduces the pressure dependent yield stresses up to 250 GPa.more » The proposed strength model is then used to conduct simulations of a Taylor cylinder impact test and validated with experiments. This approach provides a physically-based multi-scale strength model that is able to predict the plastic deformation of polycrystalline tantalum through a wide range of temperature, strain and pressure regimes.« less

Deformation analysis of polymers composites: rheological model involving time-based fractional derivative

NASA Astrophysics Data System (ADS)

Zhou, H. W.; Yi, H. Y.; Mishnaevsky, L.; Wang, R.; Duan, Z. Q.; Chen, Q.

2017-05-01

A modeling approach to time-dependent property of Glass Fiber Reinforced Polymers (GFRP) composites is of special interest for quantitative description of long-term behavior. An electronic creep machine is employed to investigate the time-dependent deformation of four specimens of dog-bond-shaped GFRP composites at various stress level. A negative exponent function based on structural changes is introduced to describe the damage evolution of material properties in the process of creep test. Accordingly, a new creep constitutive equation, referred to fractional derivative Maxwell model, is suggested to characterize the time-dependent behavior of GFRP composites by replacing Newtonian dashpot with the Abel dashpot in the classical Maxwell model. The analytic solution for the fractional derivative Maxwell model is given and the relative parameters are determined. The results estimated by the fractional derivative Maxwell model proposed in the paper are in a good agreement with the experimental data. It is shown that the new creep constitutive model proposed in the paper needs few parameters to represent various time-dependent behaviors.

Review of electronic transport models for thermoelectric materials

NASA Astrophysics Data System (ADS)

Bulusu, A.; Walker, D. G.

2008-07-01

Thermoelectric devices have gained importance in recent years as viable solutions for applications such as spot cooling of electronic components, remote power generation in space stations and satellites etc. These solid-state devices have long been known for their reliability rather than their efficiency; they contain no moving parts, and their performance relies primarily on material selection, which has not generated many excellent candidates. Research in recent years has been focused on developing both thermoelectric structures and materials that have high efficiency. In general, thermoelectric research is two-pronged with (1) experiments focused on finding new materials and structures with enhanced thermoelectric performance and (2) analytical models that predict thermoelectric behavior to enable better design and optimization of materials and structures. While numerous reviews have discussed the importance of and dependence on materials for thermoelectric performance, an overview of how to predict the performance of various materials and structures based on fundamental quantities is lacking. In this paper we present a review of the theoretical models that were developed since thermoelectricity was first observed in 1821 by Seebeck and how these models have guided experimental material search for improved thermoelectric devices. A new quantum model is also presented, which provides opportunities for the optimization of nanoscale materials to enhance thermoelectric performance.

Time-dependent behavior of passive skeletal muscle

NASA Astrophysics Data System (ADS)

Ahamed, T.; Rubin, M. B.; Trimmer, B. A.; Dorfmann, L.

2016-03-01

An isotropic three-dimensional nonlinear viscoelastic model is developed to simulate the time-dependent behavior of passive skeletal muscle. The development of the model is stimulated by experimental data that characterize the response during simple uniaxial stress cyclic loading and unloading. Of particular interest is the rate-dependent response, the recovery of muscle properties from the preconditioned to the unconditioned state and stress relaxation at constant stretch during loading and unloading. The model considers the material to be a composite of a nonlinear hyperelastic component in parallel with a nonlinear dissipative component. The strain energy and the corresponding stress measures are separated additively into hyperelastic and dissipative parts. In contrast to standard nonlinear inelastic models, here the dissipative component is modeled using an evolution equation that combines rate-independent and rate-dependent responses smoothly with no finite elastic range. Large deformation evolution equations for the distortional deformations in the elastic and in the dissipative component are presented. A robust, strongly objective numerical integration algorithm is used to model rate-dependent and rate-independent inelastic responses. The constitutive formulation is specialized to simulate the experimental data. The nonlinear viscoelastic model accurately represents the time-dependent passive response of skeletal muscle.

Rate- and Temperature-Dependent Material Behavior of a Multilayer Polymer Battery Separator

NASA Astrophysics Data System (ADS)

Avdeev, Ilya; Martinsen, Michael; Francis, Alex

2014-01-01

Designing battery packs for safety in automotive applications requires multiscale modeling, as macroscopic deformations due to impact cause the mechanical failure of individual cells on a sub-millimeter level. The separator material plays a critical role in this process, as the thinning or perforating of the separator can lead to thermal runaway and catastrophic failure of an entire battery pack. The electrochemical properties of various polymer separators have been extensively investigated; however, the dependency of mechanical properties of these thin films on various factors, such as high temperature and strain rate, has not been sufficiently characterized. In this study, the macroscopic mechanical properties of a multilayer polymer thin film used as a battery separator are studied experimentally at various temperatures, strain rates, and solvent saturations. Due to the anisotropy of the material, material testing was conducted in two perpendicular directions (machine and transverse directions). Material samples were tested in both dry and saturated conditions at several temperatures, and it was found that temperature and strain rate have a nearly linear effect on the stress experienced by the material. Additionally, saturating the separator material in a common lithium-ion solvent had softened it and had a positive effect on its toughness. The experimental results obtained in this study can be used to develop mathematical constitutive models of the multilayer separator material for subsequent numerical simulations and design.

Developing a New Thermophysical Model for Lunar Regolith Soil at Low Temperatures

NASA Astrophysics Data System (ADS)

Woods-Robinson, R.; Siegler, M. A.; Paige, D. A.

2016-12-01

The thermophysical properties of the lunar regolith soil have been thoroughly investigated within the temperature range of 100 - 400 K. Extensive laboratory measurements of temperature-dependent thermal conductivity and specific heat have been performed on lunar samples collected from the Apollo and Luna missions. However, recent thermal emission measurements from the Lunar Reconnaissance Orbiter Diviner Lunar Radiometer Experiment have revealed temperatures near the poles as low 20 K, far below where existing thermophysical models begin to break down. In the absence of comprehensive laboratory measurements of lunar soil thermal properties at these low temperatures (20 - 100 K), we investigate solid state theory and lunar simulant materials to derive a physically-based theoretical model of specific heat and thermal conductivity in lunar soils in the full range 20 - 400 K. The primary distinctions between this model and its predecessors are: The focus on soil bulk density as a master variable The temperature dependence of the solid conduction component of thermal conductivity at low temperatures, and The concept that the composition and modal petrology of grains - both amorphous and crystalline components - could significantly influence thermal properties of the bulk soil. The simplest version of this model, which assumes that the soil behaves predominantly as a homogeneous particulate material composed of amorphous grains, shows that at low temperatures (20 - 100 K), specific heat is likely higher than expected from current models ( 0.027 J/gK at 20 K) and that thermal conductivity is almost an order of magnitude lower than has generally been assumed in the literature.Any higher-order approximation is difficult at this stage; the thermal conductivity at low temperature could vary drastically depending on the constituent grain materials, their degree of crystallinity, and contributions from phonon scattering modes, among other factors. We use a one-dimensional thermal model to illustrate the effects of our model on diurnal surface temperature variations in permanently shadowed regions on the moon. We aim to lay the theoretical foundation for a new approach to model thermal properties of regolith materials, and to justify the importance of new laboratory measurements of lunar soil below 100 K.

Plate and butt-weld stresses beyond elastic limit, material and structural modeling

NASA Technical Reports Server (NTRS)

Verderaime, V.

1991-01-01

Ultimate safety factors of high performance structures depend on stress behavior beyond the elastic limit, a region not too well understood. An analytical modeling approach was developed to gain fundamental insights into inelastic responses of simple structural elements. Nonlinear material properties were expressed in engineering stresses and strains variables and combined with strength of material stress and strain equations similar to numerical piece-wise linear method. Integrations are continuous which allows for more detailed solutions. Included with interesting results are the classical combined axial tension and bending load model and the strain gauge conversion to stress beyond the elastic limit. Material discontinuity stress factors in butt-welds were derived. This is a working-type document with analytical methods and results applicable to all industries of high reliability structures.

Development and Characterization of a Rate-Dependent Three-Dimensional Macroscopic Plasticity Model Suitable for Use in Composite Impact Problems

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Carney, Kelly S.; DuBois, Paul; Hoffarth, Canio; Rajan, Subramaniam; Blankenhorn, Gunther

2015-01-01

Several key capabilities have been identified by the aerospace community as lacking in the material/models for composite materials currently available within commercial transient dynamic finite element codes such as LS-DYNA. Some of the specific desired features that have been identified include the incorporation of both plasticity and damage within the material model, the capability of using the material model to analyze the response of both three-dimensional solid elements and two dimensional shell elements, and the ability to simulate the response of composites composed with a variety of composite architectures, including laminates, weaves and braids. In addition, a need has been expressed to have a material model that utilizes tabulated experimentally based input to define the evolution of plasticity and damage as opposed to utilizing discrete input parameters (such as modulus and strength) and analytical functions based on curve fitting. To begin to address these needs, an orthotropic macroscopic plasticity based model suitable for implementation within LS-DYNA has been developed. Specifically, the Tsai-Wu composite failure model has been generalized and extended to a strain-hardening based orthotropic plasticity model with a non-associative flow rule. The coefficients in the yield function are determined based on tabulated stress-strain curves in the various normal and shear directions, along with selected off-axis curves. Incorporating rate dependence into the yield function is achieved by using a series of tabluated input curves, each at a different constant strain rate. The non-associative flow-rule is used to compute the evolution of the effective plastic strain. Systematic procedures have been developed to determine the values of the various coefficients in the yield function and the flow rule based on the tabulated input data. An algorithm based on the radial return method has been developed to facilitate the numerical implementation of the material model. The presented paper will present in detail the development of the orthotropic plasticity model and the procedures used to obtain the required material parameters. Methods in which a combination of actual testing and selective numerical testing can be combined to yield the appropriate input data for the model will be described. A specific laminated polymer matrix composite will be examined to demonstrate the application of the model.

Heating 7.2 user`s manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Childs, K.W.

1993-02-01

HEATING is a general-purpose conduction heat transfer program written in Fortran 77. HEATING can solve steady-state and/or transient heat conduction problems in one-, two-, or three-dimensional Cartesian, cylindrical, or spherical coordinates. A model may include multiple materials, and the thermal conductivity, density, and specific heat of each material may be both time- and temperature-dependent. The thermal conductivity may also be anisotropic. Materials may undergo change of phase. Thermal properties of materials may be input or may be extracted from a material properties library. Heat-generation rates may be dependent on time, temperature, and position, and boundary temperatures may be time- andmore » position-dependent. The boundary conditions, which may be surface-to-environment or surface-to-surface, may be specified temperatures or any combination of prescribed heat flux, forced convection, natural convection, and radiation. The boundary condition parameters may be time- and/or temperature-dependent. General gray-body radiation problems may be modeled with user-defined factors for radiant exchange. The mesh spacing may be variable along each axis. HEATING uses a runtime memory allocation scheme to avoid having to recompile to match memory requirements for each specific problem. HEATING utilizes free-form input. Three steady-state solution techniques are available: point-successive-overrelaxation iterative method with extrapolation, direct-solution, and conjugate gradient. Transient problems may be solved using any one of several finite-difference schemes: Crank-Nicolson implicit, Classical Implicit Procedure (CIP), Classical Explicit Procedure (CEP), or Levy explicit method. The solution of the system of equations arising from the implicit techniques is accomplished by point-successive-overrelaxation iteration and includes procedures to estimate the optimum acceleration parameter.« less

Heating 7. 2 user's manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Childs, K.W.

1993-02-01

HEATING is a general-purpose conduction heat transfer program written in Fortran 77. HEATING can solve steady-state and/or transient heat conduction problems in one-, two-, or three-dimensional Cartesian, cylindrical, or spherical coordinates. A model may include multiple materials, and the thermal conductivity, density, and specific heat of each material may be both time- and temperature-dependent. The thermal conductivity may also be anisotropic. Materials may undergo change of phase. Thermal properties of materials may be input or may be extracted from a material properties library. Heat-generation rates may be dependent on time, temperature, and position, and boundary temperatures may be time- andmore » position-dependent. The boundary conditions, which may be surface-to-environment or surface-to-surface, may be specified temperatures or any combination of prescribed heat flux, forced convection, natural convection, and radiation. The boundary condition parameters may be time- and/or temperature-dependent. General gray-body radiation problems may be modeled with user-defined factors for radiant exchange. The mesh spacing may be variable along each axis. HEATING uses a runtime memory allocation scheme to avoid having to recompile to match memory requirements for each specific problem. HEATING utilizes free-form input. Three steady-state solution techniques are available: point-successive-overrelaxation iterative method with extrapolation, direct-solution, and conjugate gradient. Transient problems may be solved using any one of several finite-difference schemes: Crank-Nicolson implicit, Classical Implicit Procedure (CIP), Classical Explicit Procedure (CEP), or Levy explicit method. The solution of the system of equations arising from the implicit techniques is accomplished by point-successive-overrelaxation iteration and includes procedures to estimate the optimum acceleration parameter.« less

A viscoelastic higher-order beam finite element

NASA Technical Reports Server (NTRS)

Johnson, Arthur R.; Tressler, Alexander

1996-01-01

A viscoelastic internal variable constitutive theory is applied to a higher-order elastic beam theory and finite element formulation. The behavior of the viscous material in the beam is approximately modeled as a Maxwell solid. The finite element formulation requires additional sets of nodal variables for each relaxation time constant needed by the Maxwell solid. Recent developments in modeling viscoelastic material behavior with strain variables that are conjugate to the elastic strain measures are combined with advances in modeling through-the-thickness stresses and strains in thick beams. The result is a viscous thick-beam finite element that possesses superior characteristics for transient analysis since its nodal viscous forces are not linearly dependent an the nodal velocities, which is the case when damping matrices are used. Instead, the nodal viscous forces are directly dependent on the material's relaxation spectrum and the history of the nodal variables through a differential form of the constitutive law for a Maxwell solid. The thick beam quasistatic analysis is explored herein as a first step towards developing more complex viscoelastic models for thick plates and shells, and for dynamic analyses. The internal variable constitutive theory is derived directly from the Boltzmann superposition theorem. The mechanical strains and the conjugate internal strains are shown to be related through a system of first-order, ordinary differential equations. The total time-dependent stress is the superposition of its elastic and viscous components. Equations of motion for the solid are derived from the virtual work principle using the total time-dependent stress. Numerical examples for the problems of relaxation, creep, and cyclic creep are carried out for a beam made from an orthotropic Maxwell solid.

Effects of Phase Transformations and Dynamic Material Strength on Hydrodynamic Instability Evolution in Metals

NASA Astrophysics Data System (ADS)

Opie, Saul

Hydrodynamic phenomena such as the Rayleigh-Taylor (RT) and Richtmyer-Meshkov (RM) instabilities can be described by exponential/linear growth of surface perturbations at a bimaterial interface when subjected to constant/impulsive acceleration. A challenge in designing systems to mitigate or exploit these effects is the lack of accurate material models at large dynamic strain rates and pressures. In particular, little stress-strain constitutive information at large strain rates and pressures is available for transient material phases formed at high pressures, and the continuum effect the phase transformation process has on the instability evolution. In this work, a phase-aware isotropic strength model is developed and partially validated with a novel RM-based instability experiment in addition to existing data from the literature. With the validated material model additional simulations are performed to provide insight into to the role that robust material constitutive behavior (e.g., pressure, temperature, rate dependence) has on RM instability and how RM instability experiments can be used to characterize and validated expected material behavior. For phase aware materials, particularly iron in this work, the simulations predict a strong dependence on the Atwood number that single phase materials do not have. At Atwood numbers close to unity, and pressures in the high pressure stability region, the high pressure phase dominates the RM evolution. However, at Atwood numbers close to negative one, the RM evolution is only weakly affected by the high-pressure phase even for shocks well above the phase transformation threshold. In addition to RM evolution this work looks at the closely related shock front perturbation evolution. Existing analytical models for isentropic processes in gases and liquids are modified for metal equation of states and plastic behavior for the first time. It is found that the presence of a volume collapsing phase transformation with increased pressure causes shock front perturbations to decay sooner, while plastic strength has the opposite effect which is significantly different from the effect viscosity has. These results suggest additional experimental setups to validate material models, or relevant material parameters that can be optimized for system design objectives, e.g., minimize feed through perturbations in inertial confinement fusion capsules.

The Evolution of Gas Giant Entropy During Formation by Runaway Accretion

NASA Astrophysics Data System (ADS)

Berardo, David; Cumming, Andrew; Marleau, Gabriel-Dominique

2017-01-01

We calculate the evolution of gas giant planets during the runaway gas accretion phase of formation, to understand how the luminosity of young giant planets depends on the accretion conditions. We construct steady-state envelope models, and run time-dependent simulations of accreting planets with the code Modules for Experiments in Stellar Astrophysics. We show that the evolution of the internal entropy depends on the contrast between the internal adiabat and the entropy of the accreted material, parametrized by the shock temperature T 0 and pressure P 0. At low temperatures ({T}0≲ 300-1000 {{K}}, depending on model parameters), the accreted material has a lower entropy than the interior. The convection zone extends to the surface and can drive a high luminosity, leading to rapid cooling and cold starts. For higher temperatures, the accreted material has a higher entropy than the interior, giving a radiative zone that stalls cooling. For {T}0≳ 2000 {{K}}, the surface-interior entropy contrast cannot be accommodated by the radiative envelope, and the accreted matter accumulates with high entropy, forming a hot start. The final state of the planet depends on the shock temperature, accretion rate, and starting entropy at the onset of runaway accretion. Cold starts with L≲ 5× {10}-6 {L}⊙ require low accretion rates and starting entropy, and the temperature of the accreting material needs to be maintained close to the nebula temperature. If instead the temperature is near the value required to radiate the accretion luminosity, 4π {R}2σ {T}04˜ ({GM}\\dot{M}/R), as suggested by previous work on radiative shocks in the context of star formation, gas giant planets form in a hot start with L˜ {10}-4 {L}⊙ .

Model for temperature-dependent magnetization of nanocrystalline materials

NASA Astrophysics Data System (ADS)

Bian, Q.; Niewczas, M.

2015-01-01

A magnetization model of nanocrystalline materials incorporating intragrain anisotropies, intergrain interactions, and texture effects has been extended to include the thermal fluctuations. The method relies on the stochastic Landau-Lifshitz-Gilbert theory of magnetization dynamics and permits to study the magnetic properties of nanocrystalline materials at arbitrary temperature below the Currie temperature. The model has been used to determine the intergrain exchange constant and grain boundary anisotropy constant of nanocrystalline Ni at 100 K and 298 K. It is found that the thermal fluctuations suppress the strength of the intergrain exchange coupling and also reduce the grain boundary anisotropy. In comparison with its value at 2 K, the interparticle exchange constant decreases by 16% and 42% and the grain boundary anisotropy constant decreases by 28% and 40% at 100 K and 298 K, respectively. An application of the model to study the grain size-dependent magnetization indicates that when the thermal activation energy is comparable to the free energy of grains, the decrease in the grain size leads to the decrease in the magnetic permeability and saturation magnetization. The mechanism by which the grain size influences the magnetic properties of nc-Ni is discussed.

Analysis of the Lankford coefficient evolution at different strain rates for AA6016-T4, DP800 and DC06

NASA Astrophysics Data System (ADS)

Lenzen, Matthias; Merklein, Marion

2017-10-01

In the automotive sector, a major challenge is the deep-drawing of modern lightweight sheet metals with limited formability. Thus, conventional material models lack in accuracy due to the complex material behavior. A current field of research takes into account the evolution of the Lankford coefficient. Today, changes in anisotropy under increasing degree of deformation are not considered. Only a consolidated average value of the Lankford coefficient is included in conventional material models. This leads to an increasing error in prediction of the flow behavior and therefore to an inaccurate prognosis of the forming behavior. To increase the accuracy of the prediction quality, the strain dependent Lankford coefficient should be respected, because the R-value has a direct effect on the contour of the associated flow rule. Further, the investigated materials show a more or less extinct rate dependency of the yield stress. For this reason, the rate dependency of the Lankford coefficient during uniaxial tension is focused within this contribution. To quantify the influence of strain rate on the Lankford coefficient, tensile tests are performed for three commonly used materials, the aluminum alloy AA6016-T4, the advanced high strength steel DP800 and the deep drawing steel DC06 at three different strain rates. The strain measurement is carried out by an optical strain measurement system. An evolution of the Lankford coefficient was observed for all investigated materials. Also, an influence of the deformation velocity on the anisotropy could be detected.

Thermal-mechanical behavior of high precision composite mirrors

NASA Technical Reports Server (NTRS)

Kuo, C. P.; Lou, M. C.; Rapp, D.

1993-01-01

Composite mirror panels were designed, constructed, analyzed, and tested in the framework of a NASA precision segmented reflector task. The deformations of the reflector surface during the exposure to space enviroments were predicted using a finite element model. The composite mirror panels have graphite-epoxy or graphite-cyanate facesheets, separated by an aluminum or a composite honeycomb core. It is pointed out that in order to carry out detailed modeling of composite mirrors with high accuracy, it is necessary to have temperature dependent properties of the materials involved and the type and magnitude of manufacturing errors and material nonuniformities. The structural modeling and analysis efforts addressed the impact of key design and materials parameters on the performance of mirrors.

Time-dependent deformation of titanium metal matrix composites

NASA Technical Reports Server (NTRS)

Bigelow, C. A.; Bahei-El-din, Y. A.; Mirdamadi, M.

1995-01-01

A three-dimensional finite element program called VISCOPAC was developed and used to conduct a micromechanics analysis of titanium metal matrix composites. The VISCOPAC program uses a modified Eisenberg-Yen thermo-viscoplastic constitutive model to predict matrix behavior under thermomechanical fatigue loading. The analysis incorporated temperature-dependent elastic properties in the fiber and temperature-dependent viscoplastic properties in the matrix. The material model was described and the necessary material constants were determined experimentally. Fiber-matrix interfacial behavior was analyzed using a discrete fiber-matrix model. The thermal residual stresses due to the fabrication cycle were predicted with a failed interface, The failed interface resulted in lower thermal residual stresses in the matrix and fiber. Stresses due to a uniform transverse load were calculated at two temperatures, room temperature and an elevated temperature of 650 C. At both temperatures, a large stress concentration was calculated when the interface had failed. The results indicate the importance of accuracy accounting for fiber-matrix interface failure and the need for a micromechanics-based analytical technique to understand and predict the behavior of titanium metal matrix composites.

A study of angular dependence in the ablation rate of polymers by nanosecond pulses

NASA Astrophysics Data System (ADS)

Pedder, James E. A.; Holmes, Andrew S.

2006-02-01

Measurements of ablation rate have traditionally been carried out only at normal incidence. However, in real-world applications ablation is often carried out at oblique angles, and it is useful to have prior knowledge of the ablation rate in this case. Detailed information about the angular dependence is also important for the development of ablation simulation tools, and can provide additional insight into the ablation mechanism. Previously we have reported on the angular dependence of direct-write ablation at 266 nm wavelength in solgel and polymer materials. In this paper we present a systematic study of angular dependence for excimer laser ablation of two polymer materials of interest for microfabrication: polycarbonate and SU8 photoresist. The results are used to improve simulation models to aid in mask design.

Methods, computer readable media, and graphical user interfaces for analysis of frequency selective surfaces

DOEpatents

Kotter, Dale K [Shelley, ID; Rohrbaugh, David T [Idaho Falls, ID

2010-09-07

A frequency selective surface (FSS) and associated methods for modeling, analyzing and designing the FSS are disclosed. The FSS includes a pattern of conductive material formed on a substrate to form an array of resonance elements. At least one aspect of the frequency selective surface is determined by defining a frequency range including multiple frequency values, determining a frequency dependent permittivity across the frequency range for the substrate, determining a frequency dependent conductivity across the frequency range for the conductive material, and analyzing the frequency selective surface using a method of moments analysis at each of the multiple frequency values for an incident electromagnetic energy impinging on the frequency selective surface. The frequency dependent permittivity and the frequency dependent conductivity are included in the method of moments analysis.

Thermophysical Property Models for Lunar Regolith

NASA Technical Reports Server (NTRS)

Schreiner, Samuel S.; Dominguez, Jesus A.; Sibille, Laurent; Hoffman, Jeffrey A.

2015-01-01

We present a set of models for a wide range of lunar regolith material properties. Data from the literature are t with regression models for the following regolith properties: composition, density, specific heat, thermal conductivity, electrical conductivity, optical absorption length, and latent heat of melting/fusion. These models contain both temperature and composition dependencies so that they can be tailored for a range of applications. These models can enable more consistent, informed analysis and design of lunar regolith processing hardware. Furthermore, these models can be utilized to further inform lunar geological simulations. In addition to regression models for each material property, the raw data is also presented to allow for further interpretation and fitting as necessary.

Exemplar for simulation challenges: Large-deformation micromechanics of Sylgard 184/glass microballoon syntactic foams.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, Judith Alice; Long, Kevin Nicholas

2018-05-01

Sylgard® 184/Glass Microballoon (GMB) potting material is currently used in many NW systems. Analysts need a macroscale constitutive model that can predict material behavior under complex loading and damage evolution. To address this need, ongoing modeling and experimental efforts have focused on study of damage evolution in these materials. Micromechanical finite element simulations that resolve individual GMB and matrix components promote discovery and better understanding of the material behavior. With these simulations, we can study the role of the GMB volume fraction, time-dependent damage, behavior under confined vs. unconfined compression, and the effects of partial damage. These simulations are challengingmore » and push the boundaries of capability even with the high performance computing tools available at Sandia. We summarize the major challenges and the current state of this modeling effort, as an exemplar of micromechanical modeling needs that can motivate advances in future computing efforts.« less

Multi-regime transport model for leaching behavior of heterogeneous porous materials.

PubMed

Sanchez, F; Massry, I W; Eighmy, T; Kosson, D S

2003-01-01

Utilization of secondary materials in civil engineering applications (e.g. as substitutes for natural aggregates or binder constituents) requires assessment of the physical and environment properties of the product. Environmental assessment often necessitates evaluation of the potential for constituent release through leaching. Currently most leaching models used to estimate long-term field performance assume that the species of concern is uniformly dispersed in a homogeneous porous material. However, waste materials are often comprised of distinct components such as coarse or fine aggregates in a cement concrete or waste encapsulated in a stabilized matrix. The specific objectives of the research presented here were to (1) develop a one-dimensional, multi-regime transport model (i.e. MRT model) to describe the release of species from heterogeneous porous materials and, (2) evaluate simple limit cases using the model for species when release is not dependent on pH. Two different idealized model systems were considered: (1) a porous material contaminated with the species of interest and containing inert aggregates and, (2) a porous material containing the contaminant of interest only in the aggregates. The effect of three factors on constituent release were examined: (1) volume fraction of material occupied by the aggregates compared to a homogeneous porous material, (2) aggregate size and, (3) differences in mass transfer rates between the binder and the aggregates. Simulation results confirmed that assuming homogeneous materials to evaluate the release of contaminants from porous waste materials may result in erroneous long-term field performance assessment.

Experimental Evaluation of Equivalent-Fluid Models for Melamine Foam

NASA Technical Reports Server (NTRS)

Allen, Albert R.; Schiller, Noah H.

2016-01-01

Melamine foam is a soft porous material commonly used in noise control applications. Many models exist to represent porous materials at various levels of fidelity. This work focuses on rigid frame equivalent fluid models, which represent the foam as a fluid with a complex speed of sound and density. There are several empirical models available to determine these frequency dependent parameters based on an estimate of the material flow resistivity. Alternatively, these properties can be experimentally educed using an impedance tube setup. Since vibroacoustic models are generally sensitive to these properties, this paper assesses the accuracy of several empirical models relative to impedance tube measurements collected with melamine foam samples. Diffuse field sound absorption measurements collected using large test articles in a laboratory are also compared with absorption predictions determined using model-based and measured foam properties. Melamine foam slabs of various thicknesses are considered.

Calculation of single chain cellulose elasticity using fully atomistic modeling

Treesearch

Xiawa Wu; Robert J. Moon; Ashlie Martini

2011-01-01

Cellulose nanocrystals, a potential base material for green nanocomposites, are ordered bundles of cellulose chains. The properties of these chains have been studied for many years using atomic-scale modeling. However, model predictions are difficult to interpret because of the significant dependence of predicted properties on model details. The goal of this study is...

Non-Newtonian behavior observed via dynamic rheology for various particle types in energetic materials and simulant composites

NASA Astrophysics Data System (ADS)

Choi, Jong Han; Lee, Sangmook; Lee, Jae Wook

2017-02-01

The rheological properties of polymer composites highly filled with different filler materials were examined using a stress-controlled rheometer with a parallel-plate configuration, for particle characterization of the filler materials in plastic (polymer) bonded explosive (PBX). Ethylene vinyl acetate (EVA) with dioctyl adipate (DOA) was used as the matrix phase, which was shown to exhibit Newtonian-like behavior. The dispersed phase consisted of one of two energetic materials, i.e., explosive cyclotrimethylene trinitramine (RDX) or cyclotetramethylene tetranitramine (HMX), or a simulant (Dechlorane) in a bimodal size distribution. Before the test, preshearing was conducted to identify the initial condition of each sample. All examined filled polymer specimens exhibited yield stress and shear-thinning behavior over the investigated frequency range. The complex viscosity dependence on the dynamic oscillation frequency was also fitted using an appropriate rheological model, suggesting the model parameters. Furthermore, the temperature dependency of the different filler particle types was determined for different filler volume fractions. These comparative studies revealed the influence of the particle characteristics on the rheological properties of the filled polymer.

Molecular dynamics modelling of mechanical properties of polymers for adaptive aerospace structures

NASA Astrophysics Data System (ADS)

Papanikolaou, Michail; Drikakis, Dimitris; Asproulis, Nikolaos

2015-02-01

The features of adaptive structures depend on the properties of the supporting materials. For example, morphing wing structures require wing skin materials, such as rubbers that can withstand the forces imposed by the internal mechanism while maintaining the required aerodynamic properties of the aircraft. In this study, Molecular Dynamics and Minimization simulations are being used to establish well-equilibrated models of Ethylene-Propylene-Diene Monomer (EPDM) elastomer systems and investigate their mechanical properties.

Photovoltaic module encapsulation design and materials section, volume 2

NASA Technical Reports Server (NTRS)

Cuddihy, E. F.

1984-01-01

Tests for chemical structure, material properties, water absorption, aging and curing agent of Ethylene Vinyl Acetate (EVA) and UV absorption studies are carried out. A computer model was developed for thermal optical modeling, to investigate dependence between module operating temperature and solar insolation, and heat dissapation behavior. Structural analyses were performed in order to determine the stress distribution under wind and heat conditions. Curves are shown for thermal loading conditions. An electrical isolation was carried out to investigate electrical stress aging of non-metallic encapsulation materials and limiting material flaws, and to develop a computer model of electrical fields and stresses in encapsulation materials. In addition, a mathematical model was developed and tests were conducted to predict hygroscopic and thermal expansion and contraction on a plastic coated wooden substrate. Thermal cycle and humidity freezing cycle tests, partial discharge tests, and hail impact tests were also carried out. Finally, the effects of soiling on the surface of photovoltaic modules were investigated. Two antisoiling coatings, a fluorinated silane and perflourodecanoic acid were considered.

An approach to achieve progress in spacecraft shielding

NASA Astrophysics Data System (ADS)

Thoma, K.; Schäfer, F.; Hiermaier, S.; Schneider, E.

2004-01-01

Progress in shield design against space debris can be achieved only when a combined approach based on several tools is used. This approach depends on the combined application of advanced numerical methods, specific material models and experimental determination of input parameters for these models. Examples of experimental methods for material characterization are given, covering the range from quasi static to very high strain rates for materials like Nextel and carbon fiber-reinforced materials. Mesh free numerical methods have extraordinary capabilities in the simulation of extreme material behaviour including complete failure with phase changes, combined with shock wave phenomena and the interaction with structural components. In this paper the benefits from combining numerical methods, material modelling and detailed experimental studies for shield design are demonstrated. The following examples are given: (1) Development of a material model for Nextel and Kevlar-Epoxy to enable numerical simulation of hypervelocity impacts on complex heavy protection shields for the International Space Station. (2) The influence of projectile shape on protection performance of Whipple Shields and how experimental problems in accelerating such shapes can be overcome by systematic numerical simulation. (3) The benefits of using metallic foams in "sandwich bumper shields" for spacecraft and how to approach systematic characterization of such materials.

Characterization of Viscoelastic Materials Using Group Shear Wave Speeds.

PubMed

Rouze, Ned C; Deng, Yufeng; Trutna, Courtney A; Palmeri, Mark L; Nightingale, Kathryn R

2018-05-01

Recent investigations of viscoelastic properties of materials have been performed by observing shear wave propagation following localized, impulsive excitations, and Fourier decomposing the shear wave signal to parameterize the frequency-dependent phase velocity using a material model. This paper describes a new method to characterize viscoelastic materials using group shear wave speeds , , and determined from the shear wave displacement, velocity, and acceleration signals, respectively. Materials are modeled using a two-parameter linear attenuation model with phase velocity and dispersion slope at a reference frequency of 200 Hz. Analytically calculated lookup tables are used to determine the two material parameters from pairs of measured group shear wave speeds. Green's function calculations are used to validate the analytic model. Results are reported for measurements in viscoelastic and approximately elastic phantoms and demonstrate good agreement with phase velocities measured using Fourier analysis of the measured shear wave signals. The calculated lookup tables are relatively insensitive to the excitation configuration. While many commercial shear wave elasticity imaging systems report group shear wave speeds as the measures of material stiffness, this paper demonstrates that differences , , and of group speeds are first-order measures of the viscous properties of materials.

Effective electromagnetic properties of microheterogeneous materials with surface phenomena

NASA Astrophysics Data System (ADS)

Levin, Valery; Markov, Mikhail; Mousatov, Aleksandr; Kazatchenko, Elena; Pervago, Evgeny

2017-10-01

In this paper, we present an approach to calculate the complex dielectric permittivity of a micro-heterogeneous medium composed of non-conductive solid inclusions embedded into the conductive liquid continuous host. To take into account the surface effects, we approximate the inclusion by a layered ellipsoid consisting of a dielectric core and an infinitesimally thin outer shell corresponding to an electrical double layer (EDL). To predict the effective complex dielectric permittivity of materials with a high concentration of inclusions, we have modified the Effective Field Method (EFM) for the layered ellipsoidal particles with complex electrical properties. We present the results of complex permittivity calculations for the composites with randomly and parallel oriented ellipsoidal inclusions. To analyze the influence of surface polarization, we have accomplished modeling in a wide frequency range for different existing physic-chemical models of double electrical layer. The results obtained show that the tensor of effective complex permittivity of a micro-heterogeneous medium with surface effects has complicate dependences on the component electrical properties, spatial material texture, and the inclusion shape (ellipsoid aspect ratio) and size. The dispersion of dielectric permittivity corresponds to the frequency dependence for individual inclusion of given size, and does not depend on the inclusion concentration.

Control of particle and power exhaust in pellet fuelled ITER DT scenarios employing integrated models

NASA Astrophysics Data System (ADS)

Wiesen, S.; Köchl, F.; Belo, P.; Kotov, V.; Loarte, A.; Parail, V.; Corrigan, G.; Garzotti, L.; Harting, D.

2017-07-01

The integrated model JINTRAC is employed to assess the dynamic density evolution of the ITER baseline scenario when fuelled by discrete pellets. The consequences on the core confinement properties, α-particle heating due to fusion and the effect on the ITER divertor operation, taking into account the material limitations on the target heat loads, are discussed within the integrated model. Using the model one can observe that stable but cyclical operational regimes can be achieved for a pellet-fuelled ITER ELMy H-mode scenario with Q  =  10 maintaining partially detached conditions in the divertor. It is shown that the level of divertor detachment is inversely correlated with the core plasma density due to α-particle heating, and thus depends on the density evolution cycle imposed by pellet ablations. The power crossing the separatrix to be dissipated depends on the enhancement of the transport in the pedestal region being linked with the pressure gradient evolution after pellet injection. The fuelling efficacy of the deposited pellet material is strongly dependent on the E  ×  B plasmoid drift. It is concluded that integrated models like JINTRAC, if validated and supported by realistic physics constraints, may help to establish suitable control schemes of particle and power exhaust in burning ITER DT-plasma scenarios.

Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions

NASA Astrophysics Data System (ADS)

Wang, RuLin; Zheng, Xiao; Kwok, YanHo; Xie, Hang; Chen, GuanHua; Yam, ChiYung

2015-04-01

Understanding electronic dynamics on material surfaces is fundamentally important for applications including nanoelectronics, inhomogeneous catalysis, and photovoltaics. Practical approaches based on time-dependent density functional theory for open systems have been developed to characterize the dissipative dynamics of electrons in bulk materials. The accuracy and reliability of such approaches depend critically on how the electronic structure and memory effects of surrounding material environment are accounted for. In this work, we develop a novel squared-Lorentzian decomposition scheme, which preserves the positive semi-definiteness of the environment spectral matrix. The resulting electronic dynamics is guaranteed to be both accurate and convergent even in the long-time limit. The long-time stability of electronic dynamics simulation is thus greatly improved within the current decomposition scheme. The validity and usefulness of our new approach are exemplified via two prototypical model systems: quasi-one-dimensional atomic chains and two-dimensional bilayer graphene.

Temperature-dependent layer breathing modes in two-dimensional materials

NASA Astrophysics Data System (ADS)

Maity, Indrajit; Maiti, Prabal K.; Jain, Manish

2018-04-01

Relative out-of-plane displacements of the constituent layers of two-dimensional materials give rise to unique low-frequency breathing modes. By computing the height-height correlation functions from molecular dynamics simulations, we show that the layer breathing modes (LBMs) can be mapped consistently to vibrations of a simple linear chain model. Our calculated thickness dependence of LBM frequencies for few-layer (FL) graphene and molybdenum disulfide (MoS2) are in excellent agreement with available experiments. Our results show a redshift of LBM frequency with an increase in temperature, which is a direct consequence of anharmonicities present in the interlayer interaction. We also predict the thickness and temperature dependence of LBM frequencies for FL hexagonal boron nitride. Our Rapid Communication provides a simple and efficient way to probe the interlayer interaction for layered materials and their heterostructures with the inclusion of anharmonic effects.

Hygrothermal wave propagation in viscoelastic graphene under in-plane magnetic field based on nonlocal strain gradient theory

NASA Astrophysics Data System (ADS)

Karami, Behrouz; Shahsavari, Davood; Li, Li

2018-03-01

A size-dependent model is developed for the hygrothermal wave propagation analysis of an embedded viscoelastic single layer graphene sheet (SLGS) under the influence of in-plane magnetic field. The bi-Helmholtz nonlocal strain gradient theory involving three small scale parameters is introduced to account for the size-dependent effects. The size-dependent model is deduced based on Hamilton's principle. The closed-form solution of eigenfrequency relation between wave number and phase velocity is achieved. By studying the size-dependent effects on the flexural wave of SLGS, the dispersion relation predicted by the developed size-dependent model can show a good match with experimental data. The influence of in-plane magnetic field, temperature and moisture of environs, structural damping, damped substrate, lower and higher order nonlocal parameters and the material characteristic parameter on the phase velocity of SLGS is explored.

Complexity in modeling of residual stresses and strains during polymerization of bone cement: effects of conversion, constraint, heat transfer, and viscoelastic property changes.

PubMed

Gilbert, Jeremy L

2006-12-15

Aseptic loosening of cemented joint prostheses remains a significant concern in orthopedic biomaterials. One possible contributor to cement loosening is the development of porosity, residual stresses, and local fracture of the cement that may arise from the in-situ polymerization of the cement. In-situ polymerization of acrylic bone cement is a complex set of interacting processes that involve polymerization reactions, heat generation and transfer, full or partial mechanical constraint, evolution of conversion- and temperature-dependent viscoelastic material properties, and thermal and conversion-driven changes in the density of the cement. Interactions between heat transfer and polymerization can lead to polymerization fronts moving through the material. Density changes during polymerization can, in the presence of mechanical constraint, lead to the development of locally high residual strain energy and residual stresses. This study models the interactions during bone cement polymerization and determines how residual stresses develop in cement and incorporates temperature and conversion-dependent viscoelastic behavior. The results show that the presence of polymerization fronts in bone cement result in locally high residual strain energies. A novel heredity integral approach is presented to track residual stresses incorporating conversion and temperature dependent material property changes. Finally, the relative contribution of thermal- and conversion-dependent strains to residual stresses is evaluated and it is found that the conversion-based strains are the major contributor to the overall behavior. This framework provides the basis for understanding the complex development of residual stresses and can be used as the basis for developing more complex models of cement behavior.

A Microstructure-Based Time-Dependent Crack Growth Model for Life and Reliability Prediction of Turbopropulsion Systems

NASA Astrophysics Data System (ADS)

Chan, Kwai S.; Enright, Michael P.; Moody, Jonathan; Fitch, Simeon H. K.

2014-01-01

The objective of this investigation was to develop an innovative methodology for life and reliability prediction of hot-section components in advanced turbopropulsion systems. A set of generic microstructure-based time-dependent crack growth (TDCG) models was developed and used to assess the sources of material variability due to microstructure and material parameters such as grain size, activation energy, and crack growth threshold for TDCG. A comparison of model predictions and experimental data obtained in air and in vacuum suggests that oxidation is responsible for higher crack growth rates at high temperatures, low frequencies, and long dwell times, but oxidation can also induce higher crack growth thresholds (Δ K th or K th) under certain conditions. Using the enhanced risk analysis tool and material constants calibrated to IN 718 data, the effect of TDCG on the risk of fracture in turboengine components was demonstrated for a generic rotor design and a realistic mission profile using the DARWIN® probabilistic life-prediction code. The results of this investigation confirmed that TDCG and cycle-dependent crack growth in IN 718 can be treated by a simple summation of the crack increments over a mission. For the temperatures considered, TDCG in IN 718 can be considered as a K-controlled or a diffusion-controlled oxidation-induced degradation process. This methodology provides a pathway for evaluating microstructural effects on multiple damage modes in hot-section components.

Evaluation and comparison of dimensional accuracy of newly introduced elastomeric impression material using 3D laser scanners: an in vitro study.

PubMed

Pandita, Amrita; Jain, Teerthesh; Yadav, Naveen S; Feroz, S M A; Pradeep; Diwedi, Akankasha

2013-03-01

Aim of the present study was to comparatively evaluate dimensional accuracy of newely introduced elastomeric impression material after repeated pours at different time intervals. In the present study a total of 20 (10 + 10) impressions of master model were made from vinyl polyether silicone and vinyl polysiloxane impression material. Each impression was repeatedly poured at 1, 24 hours and 14 days. Therefore, a total of 60 casts were obtained. Casts obtained were scanned with three-dimensional (3D) laser scanner and measurements were done. Vinyl polyether silicone produced overall undersized dies, with greatest change being 0.14% only after 14 days. Vinyl polysiloxane produced smaller dies after 1 and 24 hours and larger dies after 14 days, differing from master model by only 0.07% for the smallest die and to 0.02% for the largest die. All the deviations measured from the master model with both the impression materials were within a clinically acceptable range. In a typical fixed prosthodontic treatment accuracy of prosthesis is critical as it determines the success, failure and the prognosis of treatment including abutments. This is mainly dependent upon fit of prosthesis which in turn is dependent on dimensional accuracy of dies, poured from elastomeric impressions.

Hypo-Elastic Model for Lung Parenchyma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freed, Alan D.; Einstein, Daniel R.

2012-03-01

A simple elastic isotropic constitutive model for the spongy tissue in lung is derived from the theory of hypoelasticity. The model is shown to exhibit a pressure dependent behavior that has been interpreted by some as indicating extensional anisotropy. In contrast, we show that this behavior arises natural from an analysis of isotropic hypoelastic invariants, and is a likely result of non-linearity, not anisotropy. The response of the model is determined analytically for several boundary value problems used for material characterization. These responses give insight into both the material behavior as well as admissible bounds on parameters. The model ismore » characterized against published experimental data for dog lung. Future work includes non-elastic model behavior.« less

Preisach modeling of temperature-dependent ferroelectric response of piezoceramics at sub-switching regime

NASA Astrophysics Data System (ADS)

Ochoa, Diego Alejandro; García, Jose Eduardo

2016-04-01

The Preisach model is a classical method for describing nonlinear behavior in hysteretic systems. According to this model, a hysteretic system contains a collection of simple bistable units which are characterized by an internal field and a coercive field. This set of bistable units exhibits a statistical distribution that depends on these fields as parameters. Thus, nonlinear response depends on the specific distribution function associated with the material. This model is satisfactorily used in this work to describe the temperature-dependent ferroelectric response in PZT- and KNN-based piezoceramics. A distribution function expanded in Maclaurin series considering only the first terms in the internal field and the coercive field is proposed. Changes in coefficient relations of a single distribution function allow us to explain the complex temperature dependence of hard piezoceramic behavior. A similar analysis based on the same form of the distribution function shows that the KNL-NTS properties soften around its orthorhombic to tetragonal phase transition.

geomIO: A tool for geodynamicists to turn 2D cross-sections into 3D geometries

NASA Astrophysics Data System (ADS)

Baumann, Tobias; Bauville, Arthur

2016-04-01

In numerical deformation models, material properties are usually defined on elements (e.g., in body-fitted finite elements), or on a set of Lagrangian markers (Eulerian, ALE or mesh-free methods). In any case, geometrical constraints are needed to assign different material properties to the model domain. Whereas simple geometries such as spheres, layers or cuboids can easily be programmed, it quickly gets complex and time-consuming to create more complicated geometries for numerical model setups, especially in three dimensions. geomIO (geometry I/O, http://geomio.bitbucket.org/) is a MATLAB-based library that has two main functionalities. First, it can be used to create 3D volumes based on series of 2D vector drawings similar to a CAD program; and second, it uses these 3D volumes to assign material properties to the numerical model domain. The drawings can conveniently be created using the open-source vector graphics software Inkscape. Adobe Illustrator is also partially supported. The drawings represent a series of cross-sections in the 3D model domain, for example, cross-sectional interpretations of seismic tomography. geomIO is then used to read the drawings and to create 3D volumes by interpolating between the cross-sections. In the second part, the volumes are used to assign material phases to markers inside the volumes. Multiple volumes can be created at the same time and, depending on the order of assignment, unions or intersections can be built to assign additional material phases. geomIO also offers the possibility to create 3D temperature structures for geodynamic models based on depth dependent parameterisations, for example the half space cooling model. In particular, this can be applied to geometries of subducting slabs of arbitrary shape. Yet, geomIO is held very general, and can be used for a variety of applications. We present examples of setup generation from pictures of micro-scale tectonics and lithospheric scale setups of 3D present-day model geometries.

Ill-posedness of Dynamic Equations of Compressible Granular Flow

NASA Astrophysics Data System (ADS)

Shearer, Michael; Gray, Nico

2017-11-01

We introduce models for 2-dimensional time-dependent compressible flow of granular materials and suspensions, based on the rheology of Pouliquen and Forterre. The models include density dependence through a constitutive equation in which the density or volume fraction of solid particles with material density ρ* is taken as a function of an inertial number I: ρ = ρ * Φ(I), in which Φ(I) is a decreasing function of I. This modelling has different implications from models relying on critical state soil mechanics, in which ρ is treated as a variable in the equations, contributing to a flow rule. The analysis of the system of equations builds on recent work of Barker et al in the incompressible case. The main result is the identification of a criterion for well-posedness of the equations. We additionally analyze a modification that applies to suspensions, for which the rheology takes a different form and the inertial number reflects the role of the fluid viscosity.

Hyperspectral material identification on radiance data using single-atmosphere or multiple-atmosphere modeling

NASA Astrophysics Data System (ADS)

Mariano, Adrian V.; Grossmann, John M.

2010-11-01

Reflectance-domain methods convert hyperspectral data from radiance to reflectance using an atmospheric compensation model. Material detection and identification are performed by comparing the compensated data to target reflectance spectra. We introduce two radiance-domain approaches, Single atmosphere Adaptive Cosine Estimator (SACE) and Multiple atmosphere ACE (MACE) in which the target reflectance spectra are instead converted into sensor-reaching radiance using physics-based models. For SACE, known illumination and atmospheric conditions are incorporated in a single atmospheric model. For MACE the conditions are unknown so the algorithm uses many atmospheric models to cover the range of environmental variability, and it approximates the result using a subspace model. This approach is sometimes called the invariant method, and requires the choice of a subspace dimension for the model. We compare these two radiance-domain approaches to a Reflectance-domain ACE (RACE) approach on a HYDICE image featuring concealed materials. All three algorithms use the ACE detector, and all three techniques are able to detect most of the hidden materials in the imagery. For MACE we observe a strong dependence on the choice of the material subspace dimension. Increasing this value can lead to a decline in performance.

MECHANICAL PROPERTY CHARACTERIZATIONS AND PERFORMANCE MODELING OF SOFC SEALS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koeppel, Brian J.; Vetrano, John S.; Nguyen, Ba Nghiep

2008-03-26

This study provides modeling tools for the design of reliable seals for SOFC stacks. The work consists of 1) experimental testing to determine fundamental properties of SOFC sealing materials, and 2) numerical modeling of stacks and sealing systems. The material tests capture relevant temperature-dependent physical and mechanical data needed by the analytical models such as thermal expansion, strength, fracture toughness, and relaxation behavior for glass-ceramic seals and other materials. Testing has been performed on both homogenous specimens and multiple material assemblies to investigate the effect of interfacial reactions. A viscoelastic continuum damage model for a glass-ceramic seal was developed tomore » capture the nonlinear behavior of this material at high temperatures. This model was implemented in the MSC MARC finite element code and was used for a detailed analysis of a planar SOFC stack under thermal cycling conditions. Realistic thermal loads for the stack were obtained using PNNL’s in-house multiphysics solver. The accumulated seal damage and component stresses were evaluated for multiple thermal loading cycles, and regions of high seal damage susceptible to cracking were identified. Selected test results, numerical model development, and analysis results will be presented.« less

Material model for physically based rendering

NASA Astrophysics Data System (ADS)

Robart, Mathieu; Paulin, Mathias; Caubet, Rene

1999-09-01

In computer graphics, a complete knowledge of the interactions between light and a material is essential to obtain photorealistic pictures. Physical measurements allow us to obtain data on the material response, but are limited to industrial surfaces and depend on measure conditions. Analytic models do exist, but they are often inadequate for common use: the empiric ones are too simple to be realistic, and the physically-based ones are often to complex or too specialized to be generally useful. Therefore, we have developed a multiresolution virtual material model, that not only describes the surface of a material, but also its internal structure thanks to distribution functions of microelements, arranged in layers. Each microelement possesses its own response to an incident light, from an elementary reflection to a complex response provided by its inner structure, taking into account geometry, energy, polarization, . . ., of each light ray. This model is virtually illuminated, in order to compute its response to an incident radiance. This directional response is stored in a compressed data structure using spherical wavelets, and is destined to be used in a rendering model such as directional radiosity.

Micropolar continuum modelling of bi-dimensional tetrachiral lattices

PubMed Central

Chen, Y.; Liu, X. N.; Hu, G. K.; Sun, Q. P.; Zheng, Q. S.

2014-01-01

The in-plane behaviour of tetrachiral lattices should be characterized by bi-dimensional orthotropic material owing to the existence of two orthogonal axes of rotational symmetry. Moreover, the constitutive model must also represent the chirality inherent in the lattices. To this end, a bi-dimensional orthotropic chiral micropolar model is developed based on the theory of irreducible orthogonal tensor decomposition. The obtained constitutive tensors display a hierarchy structure depending on the symmetry of the underlying microstructure. Eight additional material constants, in addition to five for the hemitropic case, are introduced to characterize the anisotropy under Z2 invariance. The developed continuum model is then applied to a tetrachiral lattice, and the material constants of the continuum model are analytically derived by a homogenization process. By comparing with numerical simulations for the discrete lattice, it is found that the proposed continuum model can correctly characterize the static and wave properties of the tetrachiral lattice. PMID:24808754

First-principles modeling of resonant Raman scattering for the understanding of phonons and electrons in nanomaterials

NASA Astrophysics Data System (ADS)

Liang, Liangbo; Meunier, Vincent; Yan, Jia-An; Sumpter, Bobby

Raman spectroscopy is a popular tool that can probe both phonons and electrons of the materials. First-principles modeling is important in aiding the understanding of experimental data. Raman modeling is typically based on the classical Placzek approximation and limited to the non-resonant condition, and thus the laser energy dependence of Raman intensities could not be captured. Here we showed that resonant Raman scattering could be captured by upgrading the classical approach, i.e., by calculating the dynamic dielectric tensor at the laser energy instead of the commonly used static value at zero energy. Our method was successfully applied to recently synthesized atomically precise graphene nanoribbons, and revealed the photon-energy-dependent Raman intensity of the radial breathing like mode (RBLM), which explained experimental observations that RBLM can be only observed in certain laser energies. Additionally, we also explored anisotropic 2D material, ReS2, and found that the angle-resolved Raman polarization dependence of its Raman modes is sensitive to the laser energy, as confirmed by recent experiments. The intricate electron-phonon coupling could lead to no simple rule for using Raman polarization dependence to determine the crystalline orientation. LL is supported by Eugene P. Wigner Fellowship at Oak Ridge National Laboratory and CNMS (a DOE Office of Science User Facility).

Continuum modelling of silicon diffusion in indium gallium arsenide

NASA Astrophysics Data System (ADS)

Aldridge, Henry Lee, Jr.

A possible method to overcome the physical limitations experienced by continued transistor scaling and continue improvements in performance and power consumption is integration of III-V semiconductors as alternative channel materials for logic devices. Indium Gallium Arsenide (InGaAs) is such a material from the III-V semiconductor family, which exhibit superior electron mobilities and injection velocities than that of silicon. In order for InGaAs integration to be realized, contact resistances must be minimized through maximizing activation of dopants in this material. Additionally, redistribution of dopants during processing must be clearly understood and ultimately controlled at the nanometer-scale. In this work, the activation and diffusion behavior of silicon, a prominent n-type dopant in InGaAs, has been characterized and subsequently modelled using the Florida Object Oriented Process and Device Simulator (FLOOPS). In contrast to previous reports, silicon exhibits non-negligible diffusion in InGaAs, even for smaller thermal budget rapid thermal anneals (RTAs). Its diffusion is heavily concentration-dependent, with broadening "shoulder-like" profiles when doping levels exceed 1-3x1019cm -3, for both ion-implanted and Molecular Beam Epitaxy (MBE)-grown cases. Likewise a max net-activation value of ˜1.7x1019cm -3 is consistently reached with enough thermal processing, regardless of doping method. In line with experimental results and several ab-initio calculation results, rapid concentration-dependent diffusion of Si in InGaAs and the upper limits of its activation is believed to be governed by cation vacancies that serve as compensating defects in heavily n-type regions of InGaAs. These results are ultimately in line with an amphoteric defect model, where the activation limits of dopants are an intrinsic limitation of the material, rather than governed by individual dopant species or their methods of incorporation. As a result a Fermi level dependent point defect diffusion model and activation limit model were subsequently developed in FLOOPS with outputs in good agreement with experimental results.

Magnetotransport of proton-irradiated BaFe 2As 2 and BaFe 1.985Co 0.015As 2 single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moseley, D. A.; Yates, K. A.; Peng, N.

2015-02-17

In this paper, we study the magnetotransport properties of the ferropnictide crystals BaFe 2As 2 and BaFe 1.985Co 0.015As 2. These materials exhibit a high field linear magnetoresistance that has been attributed to the quantum linear magnetoresistance model. In this model, the linear magnetoresistance is dependent on the concentration of scattering centers in the material. By using proton-beam irradiation to change the defect scattering density, we find that the dependence of the magnitude of the linear magnetoresistance on scattering quite clearly contravenes this prediction. Finally, a number of other scaling trends in the magnetoresistance and high field Hall data aremore » observed and discussed.« less

Silkworm cocoons inspire models for random fiber and particulate composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen Fujia; Porter, David; Vollrath, Fritz

The bioengineering design principles evolved in silkworm cocoons make them ideal natural prototypes and models for structural composites. Cocoons depend for their stiffness and strength on the connectivity of bonding between their constituent materials of silk fibers and sericin binder. Strain-activated mechanisms for loss of bonding connectivity in cocoons can be translated directly into a surprisingly simple yet universal set of physically realistic as well as predictive quantitative structure-property relations for a wide range of technologically important fiber and particulate composite materials.

Silkworm cocoons inspire models for random fiber and particulate composites

NASA Astrophysics Data System (ADS)

Chen, Fujia; Porter, David; Vollrath, Fritz

2010-10-01

The bioengineering design principles evolved in silkworm cocoons make them ideal natural prototypes and models for structural composites. Cocoons depend for their stiffness and strength on the connectivity of bonding between their constituent materials of silk fibers and sericin binder. Strain-activated mechanisms for loss of bonding connectivity in cocoons can be translated directly into a surprisingly simple yet universal set of physically realistic as well as predictive quantitative structure-property relations for a wide range of technologically important fiber and particulate composite materials.

Electrical properties of graphene-metal contacts.

PubMed

Cusati, Teresa; Fiori, Gianluca; Gahoi, Amit; Passi, Vikram; Lemme, Max C; Fortunelli, Alessandro; Iannaccone, Giuseppe

2017-07-11

The performance of devices and systems based on two-dimensional material systems depends critically on the quality of the contacts between 2D material and metal. A low contact resistance is an imperative requirement to consider graphene as a candidate material for electronic and optoelectronic devices. Unfortunately, measurements of contact resistance in the literature do not provide a consistent picture, due to limitations of current graphene technology, and to incomplete understanding of influencing factors. Here we show that the contact resistance is intrinsically dependent on graphene sheet resistance and on the chemistry of the graphene-metal interface. We present a physical model of the contacts based on ab-initio simulations and extensive experiments carried out on a large variety of samples with different graphene-metal contacts. Our model explains the spread in experimental results as due to uncontrolled graphene doping and suggests ways to engineer contact resistance. We also predict an achievable contact resistance of 30 Ω·μm for nickel electrodes, extremely promising for applications.

Metal matrix composite micromechanics: In-situ behavior influence on composite properties

NASA Technical Reports Server (NTRS)

Murthy, P. L. N.; Hopkins, D. A.; Chamis, C. C.

1989-01-01

Recent efforts in computational mechanics methods for simulating the nonlinear behavior of metal matrix composites have culminated in the implementation of the Metal Matrix Composite Analyzer (METCAN) computer code. In METCAN material nonlinearity is treated at the constituent (fiber, matrix, and interphase) level where the current material model describes a time-temperature-stress dependency of the constituent properties in a material behavior space. The composite properties are synthesized from the constituent instantaneous properties by virtue of composite micromechanics and macromechanics models. The behavior of metal matrix composites depends on fabrication process variables, in situ fiber and matrix properties, bonding between the fiber and matrix, and/or the properties of an interphase between the fiber and matrix. Specifically, the influence of in situ matrix strength and the interphase degradation on the unidirectional composite stress-strain behavior is examined. These types of studies provide insight into micromechanical behavior that may be helpful in resolving discrepancies between experimentally observed composite behavior and predicted response.

The interplay of stiffness and force anisotropies drives embryo elongation

PubMed Central

Vuong-Brender, Thanh Thi Kim; Ben Amar, Martine; Pontabry, Julien; Labouesse, Michel

2017-01-01

The morphogenesis of tissues, like the deformation of an object, results from the interplay between their material properties and the mechanical forces exerted on them. The importance of mechanical forces in influencing cell behaviour is widely recognized, whereas the importance of tissue material properties, in particular stiffness, has received much less attention. Using Caenorhabditis elegans as a model, we examine how both aspects contribute to embryonic elongation. Measuring the opening shape of the epidermal actin cortex after laser nano-ablation, we assess the spatiotemporal changes of actomyosin-dependent force and stiffness along the antero-posterior and dorso-ventral axis. Experimental data and analytical modelling show that myosin-II-dependent force anisotropy within the lateral epidermis, and stiffness anisotropy within the fiber-reinforced dorso-ventral epidermis are critical in driving embryonic elongation. Together, our results establish a quantitative link between cortical tension, material properties and morphogenesis of an entire embryo. DOI: http://dx.doi.org/10.7554/eLife.23866.001 PMID:28181905

The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials

DOE PAGES

Witman, Matthew; Ling, Sanliang; Jawahery, Sudi; ...

2017-03-30

For applications of metal–organic frameworks (MOFs) such as gas storage and separation, flexibility is often seen as a parameter that can tune material performance. In this work we aim to determine the optimal flexibility for the shape selective separation of similarly sized molecules (e.g., Xe/Kr mixtures). To obtain systematic insight into how the flexibility impacts this type of separation, we develop a simple analytical model that predicts a material’s Henry regime adsorption and selectivity as a function of flexibility. We elucidate the complex dependence of selectivity on a framework’s intrinsic flexibility whereby performance is either improved or reduced with increasingmore » flexibility, depending on the material’s pore size characteristics. However, the selectivity of a material with the pore size and chemistry that already maximizes selectivity in the rigid approximation is continuously diminished with increasing flexibility, demonstrating that the globally optimal separation exists within an entirely rigid pore. Molecular simulations show that our simple model predicts performance trends that are observed when screening the adsorption behavior of flexible MOFs. These flexible simulations provide better agreement with experimental adsorption data in a high-performance material that is not captured when modeling this framework as rigid, an approximation typically made in high-throughput screening studies. We conclude that, for shape selective adsorption applications, the globally optimal material will have the optimal pore size/chemistry and minimal intrinsic flexibility even though other nonoptimal materials’ selectivity can actually be improved by flexibility. In conclusion, equally important, we find that flexible simulations can be critical for correctly modeling adsorption in these types of systems.« less

The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Witman, Matthew; Ling, Sanliang; Jawahery, Sudi

For applications of metal–organic frameworks (MOFs) such as gas storage and separation, flexibility is often seen as a parameter that can tune material performance. In this work we aim to determine the optimal flexibility for the shape selective separation of similarly sized molecules (e.g., Xe/Kr mixtures). To obtain systematic insight into how the flexibility impacts this type of separation, we develop a simple analytical model that predicts a material’s Henry regime adsorption and selectivity as a function of flexibility. We elucidate the complex dependence of selectivity on a framework’s intrinsic flexibility whereby performance is either improved or reduced with increasingmore » flexibility, depending on the material’s pore size characteristics. However, the selectivity of a material with the pore size and chemistry that already maximizes selectivity in the rigid approximation is continuously diminished with increasing flexibility, demonstrating that the globally optimal separation exists within an entirely rigid pore. Molecular simulations show that our simple model predicts performance trends that are observed when screening the adsorption behavior of flexible MOFs. These flexible simulations provide better agreement with experimental adsorption data in a high-performance material that is not captured when modeling this framework as rigid, an approximation typically made in high-throughput screening studies. We conclude that, for shape selective adsorption applications, the globally optimal material will have the optimal pore size/chemistry and minimal intrinsic flexibility even though other nonoptimal materials’ selectivity can actually be improved by flexibility. In conclusion, equally important, we find that flexible simulations can be critical for correctly modeling adsorption in these types of systems.« less

Improved Strength and Damage Modeling of Geologic Materials

NASA Astrophysics Data System (ADS)

Stewart, Sarah; Senft, Laurel

2007-06-01

Collisions and impact cratering events are important processes in the evolution of planetary bodies. The time and length scales of planetary collisions, however, are inaccessible in the laboratory and require the use of shock physics codes. We present the results from a new rheological model for geological materials implemented in the CTH code [1]. The `ROCK' model includes pressure, temperature, and damage effects on strength, as well as acoustic fluidization during impact crater collapse. We demonstrate that the model accurately reproduces final crater shapes, tensile cracking, and damaged zones from laboratory to planetary scales. The strength model requires basic material properties; hence, the input parameters may be benchmarked to laboratory results and extended to planetary collision events. We show the effects of varying material strength parameters, which are dependent on both scale and strain rate, and discuss choosing appropriate parameters for laboratory and planetary situations. The results are a significant improvement in models of continuum rock deformation during large scale impact events. [1] Senft, L. E., Stewart, S. T. Modeling Impact Cratering in Layered Surfaces, J. Geophys. Res., submitted.

Micromechanical modeling of rate-dependent behavior of Connective tissues.

PubMed

Fallah, A; Ahmadian, M T; Firozbakhsh, K; Aghdam, M M

2017-03-07

In this paper, a constitutive and micromechanical model for prediction of rate-dependent behavior of connective tissues (CTs) is presented. Connective tissues are considered as nonlinear viscoelastic material. The rate-dependent behavior of CTs is incorporated into model using the well-known quasi-linear viscoelasticity (QLV) theory. A planar wavy representative volume element (RVE) is considered based on the tissue microstructure histological evidences. The presented model parameters are identified based on the available experiments in the literature. The presented constitutive model introduced to ABAQUS by means of UMAT subroutine. Results show that, monotonic uniaxial test predictions of the presented model at different strain rates for rat tail tendon (RTT) and human patellar tendon (HPT) are in good agreement with experimental data. Results of incremental stress-relaxation test are also presented to investigate both instantaneous and viscoelastic behavior of connective tissues. Copyright © 2017 Elsevier Ltd. All rights reserved.

Computational Analysis of Material Flow During Friction Stir Welding of AA5059 Aluminum Alloys

NASA Astrophysics Data System (ADS)

Grujicic, M.; Arakere, G.; Pandurangan, B.; Ochterbeck, J. M.; Yen, C.-F.; Cheeseman, B. A.; Reynolds, A. P.; Sutton, M. A.

2012-09-01

Workpiece material flow and stirring/mixing during the friction stir welding (FSW) process are investigated computationally. Within the numerical model of the FSW process, the FSW tool is treated as a Lagrangian component while the workpiece material is treated as an Eulerian component. The employed coupled Eulerian/Lagrangian computational analysis of the welding process was of a two-way thermo-mechanical character (i.e., frictional-sliding/plastic-work dissipation is taken to act as a heat source in the thermal-energy balance equation) while temperature is allowed to affect mechanical aspects of the model through temperature-dependent material properties. The workpiece material (AA5059, solid-solution strengthened and strain-hardened aluminum alloy) is represented using a modified version of the classical Johnson-Cook model (within which the strain-hardening term is augmented to take into account for the effect of dynamic recrystallization) while the FSW tool material (AISI H13 tool steel) is modeled as an isotropic linear-elastic material. Within the analysis, the effects of some of the FSW key process parameters are investigated (e.g., weld pitch, tool tilt-angle, and the tool pin-size). The results pertaining to the material flow during FSW are compared with their experimental counterparts. It is found that, for the most part, experimentally observed material-flow characteristics are reproduced within the current FSW-process model.

Modeling Non-Linear Material Properties in Composite Materials

DTIC Science & Technology

2016-06-28

2 Figure 2: Implementation of multiscale enrichment into FEA ...corresponding to the mth degree of freedom, and is the associated degree of freedom. For FEA , the standard shape function, NI, which can be...varies depending on the governing method. In this presentation we will focus in the FEA approach. Reference [4] gives complete details on the

Unravelling the physics of size-dependent dislocation-mediated plasticity

NASA Astrophysics Data System (ADS)

El-Awady, Jaafar A.

2015-01-01

Size-affected dislocation-mediated plasticity is important in a wide range of materials and technologies. Here we develop a generalized size-dependent dislocation-based model that predicts strength as a function of crystal/grain size and the dislocation density. Three-dimensional (3D) discrete dislocation dynamics (DDD) simulations reveal the existence of a well-defined relationship between strength and dislocation microstructure at all length scales for both single crystals and polycrystalline materials. The results predict a transition from dislocation-source strengthening to forest-dominated strengthening at a size-dependent critical dislocation density. It is also shown that the Hall-Petch relationship can be physically interpreted by coupling with an appropriate kinetic equation of the evolution of the dislocation density in polycrystals. The model is shown to be in remarkable agreement with experiments. This work presents a micro-mechanistic framework to predict and interpret strength size-scale effects, and provides an avenue towards performing multiscale simulations without ad hoc assumptions.

Predicting grid-size-dependent fracture strains of DP980 with a microstructure-based post-necking model

DOE PAGES

Cheng, G.; Hu, X. H.; Choi, K. S.; ...

2017-07-08

Ductile fracture is a local phenomenon, and it is well established that fracture strain levels depend on both stress triaxiality and the resolution (grid size) of strain measurements. Two-dimensional plane strain post-necking models with different model sizes are used in this paper to predict the grid-size-dependent fracture strain of a commercial dual-phase steel, DP980. The models are generated from the actual microstructures, and the individual phase flow properties and literature-based individual phase damage parameters for the Johnson–Cook model are used for ferrite and martensite. A monotonic relationship is predicted: the smaller the model size, the higher the fracture strain. Thus,more » a general framework is developed to quantify the grid-size-dependent fracture strains for multiphase materials. In addition to the grid-size dependency, the influences of intrinsic microstructure features, i.e., the flow curve and fracture strains of the two constituent phases, on the predicted fracture strains also are examined. Finally, application of the derived fracture strain versus model size relationship is demonstrated with large clearance trimming simulations with different element sizes.« less

Predicting grid-size-dependent fracture strains of DP980 with a microstructure-based post-necking model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, G.; Hu, X. H.; Choi, K. S.

Ductile fracture is a local phenomenon, and it is well established that fracture strain levels depend on both stress triaxiality and the resolution (grid size) of strain measurements. Two-dimensional plane strain post-necking models with different model sizes are used in this paper to predict the grid-size-dependent fracture strain of a commercial dual-phase steel, DP980. The models are generated from the actual microstructures, and the individual phase flow properties and literature-based individual phase damage parameters for the Johnson–Cook model are used for ferrite and martensite. A monotonic relationship is predicted: the smaller the model size, the higher the fracture strain. Thus,more » a general framework is developed to quantify the grid-size-dependent fracture strains for multiphase materials. In addition to the grid-size dependency, the influences of intrinsic microstructure features, i.e., the flow curve and fracture strains of the two constituent phases, on the predicted fracture strains also are examined. Finally, application of the derived fracture strain versus model size relationship is demonstrated with large clearance trimming simulations with different element sizes.« less

Bayesian methods for characterizing unknown parameters of material models

DOE PAGES

Emery, J. M.; Grigoriu, M. D.; Field Jr., R. V.

2016-02-04

A Bayesian framework is developed for characterizing the unknown parameters of probabilistic models for material properties. In this framework, the unknown parameters are viewed as random and described by their posterior distributions obtained from prior information and measurements of quantities of interest that are observable and depend on the unknown parameters. The proposed Bayesian method is applied to characterize an unknown spatial correlation of the conductivity field in the definition of a stochastic transport equation and to solve this equation by Monte Carlo simulation and stochastic reduced order models (SROMs). As a result, the Bayesian method is also employed tomore » characterize unknown parameters of material properties for laser welds from measurements of peak forces sustained by these welds.« less

Bayesian methods for characterizing unknown parameters of material models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emery, J. M.; Grigoriu, M. D.; Field Jr., R. V.

A Bayesian framework is developed for characterizing the unknown parameters of probabilistic models for material properties. In this framework, the unknown parameters are viewed as random and described by their posterior distributions obtained from prior information and measurements of quantities of interest that are observable and depend on the unknown parameters. The proposed Bayesian method is applied to characterize an unknown spatial correlation of the conductivity field in the definition of a stochastic transport equation and to solve this equation by Monte Carlo simulation and stochastic reduced order models (SROMs). As a result, the Bayesian method is also employed tomore » characterize unknown parameters of material properties for laser welds from measurements of peak forces sustained by these welds.« less

Application of the bridged crack model for evaluation of materials repairing and self-healing

NASA Astrophysics Data System (ADS)

Perelmuter, M.

2017-12-01

The bridged crack model is used for analysis of repairing and self-healing of cracked structures. Material repairing is treated as insertions of external ligaments into cracks or placement of the reinforcing patches over cracks. Bonds destruction and regeneration at the crack bridged zone is evaluated by the thermo-fluctuation kinetic theory. The healing time is dependent on the chemical reaction rate of the healing agent, the crack size and the external loads. The decreasing of the stress intensity factors is used as the measure of the repairing and healing effects. The mathematical background of the problem solution is based on the methods of the singular integral-differential equations. The model can be used for the evaluation of composite materials durability.

The Dependence of Atomic Oxygen Undercutting of Protected Polyimide Kapton(tm) H upon Defect Size

NASA Technical Reports Server (NTRS)

Snyder, Aaron; deGroh, Kim K.

2001-01-01

Understanding the behavior of polymeric materials when exposed to the low-Earth-orbit (LEO) environment is important in predicting performance characteristics such as in-space durability. Atomic oxygen (AO) present in LEO is known to be the principal agent in causing undercutting erosion of SiO(x) protected polyimide Kapton(R) H film, which serves as a mechanically stable blanket material in solar arrays. The rate of undercutting is dependent on the rate of arrival, directionality and energy of the AO with respect to the film surface. The erosion rate also depends on the distribution of the size of defects existing in the protective coating. This paper presents results of experimental ground testing using low energy, isotropic AO flux together with numerical modeling to determine the dependence of undercutting erosion upon defect size.

Modeling of brittle-viscous flow using discrete particles

NASA Astrophysics Data System (ADS)

Thordén Haug, Øystein; Barabasch, Jessica; Virgo, Simon; Souche, Alban; Galland, Olivier; Mair, Karen; Abe, Steffen; Urai, Janos L.

2017-04-01

Many geological processes involve both viscous flow and brittle fractures, e.g. boudinage, folding and magmatic intrusions. Numerical modeling of such viscous-brittle materials poses challenges: one has to account for the discrete fracturing, the continuous viscous flow, the coupling between them, and potential pressure dependence of the flow. The Discrete Element Method (DEM) is a numerical technique, widely used for studying fracture of geomaterials. However, the implementation of viscous fluid flow in discrete element models is not trivial. In this study, we model quasi-viscous fluid flow behavior using Esys-Particle software (Abe et al., 2004). We build on the methodology of Abe and Urai (2012) where a combination of elastic repulsion and dashpot interactions between the discrete particles is implemented. Several benchmarks are presented to illustrate the material properties. Here, we present extensive, systematic material tests to characterize the rheology of quasi-viscous DEM particle packing. We present two tests: a simple shear test and a channel flow test, both in 2D and 3D. In the simple shear tests, simulations were performed in a box, where the upper wall is moved with a constant velocity in the x-direction, causing shear deformation of the particle assemblage. Here, the boundary conditions are periodic on the sides, with constant forces on the upper and lower walls. In the channel flow tests, a piston pushes a sample through a channel by Poisseuille flow. For both setups, we present the resulting stress-strain relationships over a range of material parameters, confining stress and strain rate. Results show power-law dependence between stress and strain rate, with a non-linear dependence on confining force. The material is strain softening under some conditions (which). Additionally, volumetric strain can be dilatant or compactant, depending on porosity, confining pressure and strain rate. Constitutive relations are implemented in a way that limits the range of viscosities. For identical pressure and strain rate, an order of magnitude range in viscosity can be investigated. The extensive material testing indicates that DEM particles interacting by a combination of elastic repulsion and dashpots can be used to model viscous flows. This allows us to exploit the fracturing capabilities of the discrete element methods and study systems that involve both viscous flow and brittle fracturing. However, the small viscosity range achievable using this approach does constraint the applicability for systems where larger viscosity ranges are required, such as folding of viscous layers of contrasting viscosities. References: Abe, S., Place, D., & Mora, P. (2004). A parallel implementation of the lattice solid model for the simulation of rock mechanics and earthquake dynamics. PAGEOPH, 161(11-12), 2265-2277. http://doi.org/10.1007/s00024-004-2562-x Abe, S., and J. L. Urai (2012), Discrete element modeling of boudinage: Insights on rock rheology, matrix flow, and evolution of geometry, JGR., 117, B01407, doi:10.1029/2011JB00855

Modeling and experimental result analysis for high-power VECSELs

NASA Astrophysics Data System (ADS)

Zakharian, Aramais R.; Hader, Joerg; Moloney, Jerome V.; Koch, Stephan W.; Lutgen, Stephan; Brick, Peter; Albrecht, Tony; Grotsch, Stefan; Luft, Johann; Spath, Werner

2003-06-01

We present a comparison of experimental and microscopically based model results for optically pumped vertical external cavity surface emitting semiconductor lasers. The quantum well gain model is based on a quantitative ab-initio approach that allows calculation of a complex material susceptibility dependence on the wavelength, carrier density and lattice temperature. The gain model is coupled to the macroscopic thermal transport, spatially resolved in both the radial and longitudinal directions, with temperature and carrier density dependent pump absorption. The radial distribution of the refractive index and gain due to temperature variation are computed. Thermal managment issues, highlighted by the experimental data, are discussed. Experimental results indicate a critical dependence of the input power, at which thermal roll-over occurs, on the thermal resistance of the device. This requires minimization of the substrate thickness and optimization of the design and placement of the heatsink. Dependence of the model results on the radiative and non-radiative carrier recombination lifetimes and cavity losses are evaluated.

Physically based reflectance model utilizing polarization measurement.

PubMed

Nakano, Takayuki; Tamagawa, Yasuhisa

2005-05-20

A surface bidirectional reflectance distribution function (BRDF) depends on both the optical properties of the material and the microstructure of the surface and appears as combination of these factors. We propose a method for modeling the BRDF based on a separate optical-property (refractive-index) estimation by polarization measurement. Because the BRDF and the refractive index for precisely the same place can be determined, errors cased by individual difference or spatial dependence can be eliminated. Our BRDF model treats the surface as an aggregation of microfacets, and the diffractive effect is negligible because of randomness. An example model of a painted aluminum plate is presented.

A comparison of viscoelastic damping models

NASA Technical Reports Server (NTRS)

Slater, Joseph C.; Belvin, W. Keith; Inman, Daniel J.

1993-01-01

Modern finite element methods (FEM's) enable the precise modeling of mass and stiffness properties in what were in the past overwhelmingly large and complex structures. These models allow the accurate determination of natural frequencies and mode shapes. However, adequate methods for modeling highly damped and high frequency dependent structures did not exist until recently. The most commonly used method, Modal Strain Energy, does not correctly predict complex mode shapes since it is based on the assumption that the mode shapes of a structure are real. Recently, many techniques have been developed which allow the modeling of frequency dependent damping properties of materials in a finite element compatible form. Two of these methods, the Golla-Hughes-McTavish method and the Lesieutre-Mingori method, model the frequency dependent effects by adding coordinates to the existing system thus maintaining the linearity of the model. The third model, proposed by Bagley and Torvik, is based on the Fractional Calculus method and requires fewer empirical parameters to model the frequency dependence at the expense of linearity of the governing equations. This work examines the Modal Strain Energy, Golla-Hughes-McTavish and Bagley and Torvik models and compares them to determine the plausibility of using them for modeling viscoelastic damping in large structures.

Thermally Generated Spin Signals in a Nondegenerate Silicon Spin Valve

NASA Astrophysics Data System (ADS)

Yamashita, Naoto; Ando, Yuichiro; Koike, Hayato; Miwa, Shinji; Suzuki, Yoshishige; Shiraishi, Masashi

2018-05-01

Thermally generated spin signals are observed in a nondegenerate Si spin valve. The spin-dependent Seebeck effect is used for thermal spin-signal generation. A thermal gradient of about 200 mK at the interface of Fe and Si enables the generation of a spin voltage of 8 μ V at room temperature. A simple expansion of the conventional spin-drift-diffusion model that takes into account the spin-dependent Seebeck effect shows that semiconductor materials are more promising for thermal spin-signal generation comparing than metallic materials, and thus enable efficient heat recycling in semiconductor spin devices.

Thermal Ablation Modeling for Silicate Materials

NASA Technical Reports Server (NTRS)

Chen, Yih-Kanq

2016-01-01

A general thermal ablation model for silicates is proposed. The model includes the mass losses through the balance between evaporation and condensation, and through the moving molten layer driven by surface shear force and pressure gradient. This model can be applied in the ablation simulation of the meteoroid and the glassy ablator for spacecraft Thermal Protection Systems. Time-dependent axisymmetric computations are performed by coupling the fluid dynamics code, Data-Parallel Line Relaxation program, with the material response code, Two-dimensional Implicit Thermal Ablation simulation program, to predict the mass lost rates and shape change. The predicted mass loss rates will be compared with available data for model validation, and parametric studies will also be performed for meteoroid earth entry conditions.

Analytical and numerical studies of photo-injected charge transport in molecularly-doped polymers

NASA Astrophysics Data System (ADS)

Roy Chowdhury, Amrita

The mobility of photo-injected charge carriers in molecularly-doped polymers (MDPs) exhibits a commonly observed, and nearly universal Poole-Frenkel field dependence, mu exp√(beta0E), that has been shown to arise from the correlated Gaussian energy distribution of transport sites encountered by charges undergoing hopping transport through the material. Analytical and numerical studies of photo-injected charge transport in these materials are presented here with an attempt to understand how specific features of the various models developed to describe these systems depend on the microscopic parameters that define them. Specifically, previously published time-of-flight mobility data for the molecularly doped polymer 30% DEH:PC (polycarbonate doped with 30 wt.% aromatic hydrazone DEH) is compared with direct analytical and numerical predictions of five disorder-based models, the Gaussian disorder model (GDM) of Bassler, and four correlated disorder models introduced by Novikov, et al., and by Parris, et al. In these numerical studies, disorder parameters describing each model were varied from reasonable starting conditions, in order to give the best overall fit. The uncorrelated GDM describes the Poole-Frenkel field dependence of the mobility only at very high fields, but fails for fields lower than about 64 V/mum. The correlated disorder models with small amounts of geometrical disorder do a good over-all job of reproducing a robust Poole-Frenkel field dependence, with correlated disorder theories that employ polaron transition rates showing qualitatively better agreement with experiment than those that employ Miller-Abrahams rates. In a separate study, the heuristic treatment of spatial or geometric disorder incorporated in existing theories is critiqued, and a randomly-diluted lattice gas model is developed to describe the spatial disorder of the transport sites in a more realistic way.

New methodology for mechanical characterization of human superficial facial tissue anisotropic behaviour in vivo.

PubMed

Then, C; Stassen, B; Depta, K; Silber, G

2017-07-01

Mechanical characterization of human superficial facial tissue has important applications in biomedical science, computer assisted forensics, graphics, and consumer goods development. Specifically, the latter may include facial hair removal devices. Predictive accuracy of numerical models and their ability to elucidate biomechanically relevant questions depends on the acquisition of experimental data and mechanical tissue behavior representation. Anisotropic viscoelastic behavioral characterization of human facial tissue, deformed in vivo with finite strain, however, is sparse. Employing an experimental-numerical approach, a procedure is presented to evaluate multidirectional tensile properties of superficial tissue layers of the face in vivo. Specifically, in addition to stress relaxation, displacement-controlled multi-step ramp-and-hold protocols were performed to separate elastic from inelastic properties. For numerical representation, an anisotropic hyperelastic material model in conjunction with a time domain linear viscoelasticity formulation with Prony series was employed. Model parameters were inversely derived, employing finite element models, using multi-criteria optimization. The methodology provides insight into mechanical superficial facial tissue properties. Experimental data shows pronounced anisotropy, especially with large strain. The stress relaxation rate does not depend on the loading direction, but is strain-dependent. Preconditioning eliminates equilibrium hysteresis effects and leads to stress-strain repeatability. In the preconditioned state tissue stiffness and hysteresis insensitivity to strain rate in the applied range is evident. The employed material model fits the nonlinear anisotropic elastic results and the viscoelasticity model reasonably reproduces time-dependent results. Inversely deduced maximum anisotropic long-term shear modulus of linear elasticity is G ∞,max aniso =2.43kPa and instantaneous initial shear modulus at an applied rate of ramp loading is G 0,max aniso =15.38kPa. Derived mechanical model parameters constitute a basis for complex skin interaction simulation. Copyright © 2017. Published by Elsevier Ltd.

The fractional derivative Kelvin–Voigt model of viscoelasticity with and without volumetric relaxation

NASA Astrophysics Data System (ADS)

Rossikhin, Yu A.; Shitikova, M. V.

2018-04-01

The fractional derivative Kelvin–Voigt model of viscoelasticity involving the time-dependent Poisson’s operator has been studied not only for the case of a time-independent bulk modulus, but also when the volumetric relaxation is taken into account. It has been shown that such a model could describe the features of auxetic materials.

Strain Rate Dependent Deformation and Strength Modeling of a Polymer Matrix Composite Utilizing a Micromechanics Approach. Degree awarded by Cincinnati Univ.

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.

1999-01-01

Potential gas turbine applications will expose polymer matrix composites to very high strain rate loading conditions, requiring an ability to understand and predict the material behavior under extreme conditions. Specifically, analytical methods designed for these applications must have the capability of properly capturing the strain rate sensitivities and nonlinearities that are present in the material response. The Ramaswamy-Stouffer constitutive equations, originally developed to analyze the viscoplastic deformation of metals, have been modified to simulate the nonlinear deformation response of ductile, crystalline polymers. The constitutive model is characterized and correlated for two representative ductile polymers. Fiberite 977-2 and PEEK, and the computed results correlate well with experimental values. The polymer constitutive equations are implemented in a mechanics of materials based composite micromechanics model to predict the nonlinear, rate dependent deformation response of a composite ply. Uniform stress and uniform strain assumptions are applied to compute the effective stresses of a composite unit cell from the applied strains. The micromechanics equations are successfully verified for two polymer matrix composites. IM7/977-2 and AS4/PEEK. The ultimate strength of a composite ply is predicted with the Hashin failure criteria that were implemented in the composite micromechanics model. The failure stresses of the two composite material systems are accurately predicted for a variety of fiber orientations and strain rates. The composite deformation model is implemented in LS-DYNA, a commercially available transient dynamic explicit finite element code. The matrix constitutive equations are converted into an incremental form, and the model is implemented into LS-DYNA through the use of a user defined material subroutine. The deformation response of a bulk polymer and a polymer matrix composite are predicted by finite element analyses. The results compare reasonably well to experimental values, with some discrepancies. The discrepancies are at least partially caused by the method used to integrate the rate equations in the polymer constitutive model.

Modeling deformation behavior of the baseball.

PubMed

Nicholls, Rochelle Llewelyn; Miller, Karol; Elliott, Bruce C

2005-02-01

Regulating ball response to impact is one way to control ball exit velocity in baseball. This is necessary to reduce injuries to defensive players and maintain the balance between offense and defense in the game. This paper presents a model for baseball velocity-dependent behavior. Force-displacement data were obtained using quasi-static compression tests to 50% of ball diameter (n = 70 baseballs). The force-displacement curves for a very stiff baseball (Model B) and a softer type (Model C) were characterized by a Mooney-Rivlin model using implicit finite element analysis (ANSYS software, version 6.1). Agreement between experimental and numerical results was excellent for both Model B (C(10) = 0, C(01) = 3.7e(6) Pa) and Model C (C(10) = 0, C(01) = 2.6e(6) Pa). However, this material model was not available in the ANSYS/LSDYNA explicit dynamic software (version 6.1) used to quantify the transient behavior of the ball. Therefore the modeling process was begun again using a linear viscoelastic material. G(infinity), the long-term shear modulus of the material, was determined by the same implicit FEA procedure. Explicit FEA was used to quantify the time-dependent response of each ball in terms of instantaneous shear modulus (G0) and a decay term (beta). The results were evaluated with respect to published experimental data for the ball coefficient of restitution at five velocities (13.4-40.2 ms(-1)) and were in agreement with the experimental values. The model forms the basis for future research on baseball response to impact with the bat.

On the continuum mechanics approach for the analysis of single walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Chaudhry, M. S.; Czekanski, A.

2016-04-01

Today carbon nanotubes have found various applications in structural, thermal and almost every field of engineering. Carbon nanotubes provide great strength, stiffness resilience properties. Evaluating the structural behavior of nanoscale materials is an important task. In order to understand the materialistic behavior of nanotubes, atomistic models provide a basis for continuum mechanics modelling. Although the properties of bulk materials are consistent with the size and depends mainly on the material but the properties when we are in Nano-range, continuously change with the size. Such models start from the modelling of interatomic interaction. Modelling and simulation has advantage of cost saving when compared with the experiments. So in this project our aim is to use a continuum mechanics model of carbon nanotubes from atomistic perspective and analyses some structural behaviors of nanotubes. It is generally recognized that mechanical properties of nanotubes are dependent upon their structural details. The properties of nanotubes vary with the varying with the interatomic distance, angular orientation, radius of the tube and many such parameters. Based on such models one can analyses the variation of young's modulus, strength, deformation behavior, vibration behavior and thermal behavior. In this study some of the structural behaviors of the nanotubes are analyzed with the help of continuum mechanics models. Using the properties derived from the molecular mechanics model a Finite Element Analysis of carbon nanotubes is performed and results are verified. This study provides the insight on continuum mechanics modelling of nanotubes and hence the scope to study the effect of various parameters on some structural behavior of nanotubes.

Model of optical phantoms thermal response upon irradiation with 975 nm dermatological laser

NASA Astrophysics Data System (ADS)

Wróbel, M. S.; Bashkatov, A. N.; Yakunin, A. N.; Avetisyan, Yu. A.; Genina, E. A.; Galla, S.; Sekowska, A.; Truchanowicz, D.; Cenian, A.; Jedrzejewska-Szczerska, M.; Tuchin, V. V.

2018-04-01

We have developed a numerical model describing the optical and thermal behavior of optical tissue phantoms upon laser irradiation. According to our previous studies, the phantoms can be used as substitute of real skin from the optical, as well as thermal point of view. However, the thermal parameters are not entirely similar to those of real tissues thus there is a need to develop mathematical model, describing the thermal and optical response of such materials. This will facilitate the correction factors, which would be invaluable in translation between measurements on skin phantom to real tissues, and gave a good representation of a real case application. Here, we present the model dependent on the data of our optical phantoms fabricated and measured in our previous preliminary study. The ambiguity between the modeling and the thermal measurements depend on lack of accurate knowledge of material's thermal properties and some exact parameters of the laser beam. Those parameters were varied in the simulation, to provide an overview of possible parameters' ranges and the magnitude of thermal response.

Models and materials for generalized Kitaev magnetism

NASA Astrophysics Data System (ADS)

Winter, Stephen M.; Tsirlin, Alexander A.; Daghofer, Maria; van den Brink, Jeroen; Singh, Yogesh; Gegenwart, Philipp; Valentí, Roser

2017-12-01

The exactly solvable Kitaev model on the honeycomb lattice has recently received enormous attention linked to the hope of achieving novel spin-liquid states with fractionalized Majorana-like excitations. In this review, we analyze the mechanism proposed by Jackeli and Khaliullin to identify Kitaev materials based on spin-orbital dependent bond interactions and provide a comprehensive overview of its implications in real materials. We set the focus on experimental results and current theoretical understanding of planar honeycomb systems (Na2IrO3, α-Li2IrO3, and α-RuCl3), three-dimensional Kitaev materials (β- and γ-Li2IrO3), and other potential candidates, completing the review with the list of open questions awaiting new insights.

Magnetic field angle dependent hysteresis of a magnetorheological suspension

NASA Astrophysics Data System (ADS)

Dohmen, Eike; Borin, Dmitry; Zubarev, Andrey

2017-12-01

Magnetorheological (MR) materials are of growing interest for a development and realisation of adaptive components and damping devices. The influence of the magnetic field orientation on the rheological properties of smart materials like MR fluids or magnetic hybrid composites is a key aspect which still is not fully understood, but occurs in almost every real life MR application. To cope with the practical needs and efficiently utilise these smart materials while taking into account their material phenomena experimentally validated practice-oriented models are needed. The authors use a coupled phenomenological approach to adjust and discuss a developed theoretical model based on experimentally obtained data. In addition the data helps to get a better understanding of internal processes and interrelations in MR suspensions.

Optimization-Based Inverse Identification of the Parameters of a Concrete Cap Material Model

NASA Astrophysics Data System (ADS)

Král, Petr; Hokeš, Filip; Hušek, Martin; Kala, Jiří; Hradil, Petr

2017-10-01

Issues concerning the advanced numerical analysis of concrete building structures in sophisticated computing systems currently require the involvement of nonlinear mechanics tools. The efforts to design safer, more durable and mainly more economically efficient concrete structures are supported via the use of advanced nonlinear concrete material models and the geometrically nonlinear approach. The application of nonlinear mechanics tools undoubtedly presents another step towards the approximation of the real behaviour of concrete building structures within the framework of computer numerical simulations. However, the success rate of this application depends on having a perfect understanding of the behaviour of the concrete material models used and having a perfect understanding of the used material model parameters meaning. The effective application of nonlinear concrete material models within computer simulations often becomes very problematic because these material models very often contain parameters (material constants) whose values are difficult to obtain. However, getting of the correct values of material parameters is very important to ensure proper function of a concrete material model used. Today, one possibility, which permits successful solution of the mentioned problem, is the use of optimization algorithms for the purpose of the optimization-based inverse material parameter identification. Parameter identification goes hand in hand with experimental investigation while it trying to find parameter values of the used material model so that the resulting data obtained from the computer simulation will best approximate the experimental data. This paper is focused on the optimization-based inverse identification of the parameters of a concrete cap material model which is known under the name the Continuous Surface Cap Model. Within this paper, material parameters of the model are identified on the basis of interaction between nonlinear computer simulations, gradient based and nature inspired optimization algorithms and experimental data, the latter of which take the form of a load-extension curve obtained from the evaluation of uniaxial tensile test results. The aim of this research was to obtain material model parameters corresponding to the quasi-static tensile loading which may be further used for the research involving dynamic and high-speed tensile loading. Based on the obtained results it can be concluded that the set goal has been reached.

A micro-macro constitutive model for finite-deformation viscoelasticity of elastomers with nonlinear viscosity

NASA Astrophysics Data System (ADS)

Zhou, Jianyou; Jiang, Liying; Khayat, Roger E.

2018-01-01

Elastomers are known to exhibit viscoelastic behavior under deformation, which is linked to the diffusion processes of the highly mobile and flexible polymer chains. Inspired by the theories of polymer dynamics, a micro-macro constitutive model is developed to study the viscoelastic behaviors and the relaxation process of elastomeric materials under large deformation, in which the material parameters all have a microscopic foundation or a microstructural justification. The proposed model incorporates the nonlinear material viscosity into the continuum finite-deformation viscoelasticity theories which represent the polymer networks of elastomers with an elastic ground network and a few viscous subnetworks. The developed modeling framework is capable of adopting most of strain energy density functions for hyperelastic materials and thermodynamics evolution laws of viscoelastic solids. The modeling capacity of the framework is outlined by comparing the simulation results with the experimental data of three commonly used elastomeric materials, namely, VHB4910, HNBR50 and carbon black (CB) filled elastomers. The comparison shows that the stress responses and some typical behaviors of filled and unfilled elastomers can be quantitatively predicted by the model with suitable strain energy density functions. Particularly, the strain-softening effect of elastomers could be explained by the deformation-dependent (nonlinear) viscosity of the polymer chains. The presented modeling framework is expected to be useful as a modeling platform for further study on the performance of different type of elastomeric materials.

A constitutive material model for nonlinear finite element structural analysis using an iterative matrix approach

NASA Technical Reports Server (NTRS)

Koenig, Herbert A.; Chan, Kwai S.; Cassenti, Brice N.; Weber, Richard

1988-01-01

A unified numerical method for the integration of stiff time dependent constitutive equations is presented. The solution process is directly applied to a constitutive model proposed by Bodner. The theory confronts time dependent inelastic behavior coupled with both isotropic hardening and directional hardening behaviors. Predicted stress-strain responses from this model are compared to experimental data from cyclic tests on uniaxial specimens. An algorithm is developed for the efficient integration of the Bodner flow equation. A comparison is made with the Euler integration method. An analysis of computational time is presented for the three algorithms.

Thermo-elastoviscoplastic snapthrough behavior of cylindrical panels

NASA Technical Reports Server (NTRS)

Song, Y.; Simitses, G. J.

1992-01-01

The thermo-elastoviscoplastic snapthrough behavior of simply supported cylindrical panels is investigated. The analysis is based on nonlinear kinematic relations and nonlinear rate-dependent unified constitutive equations which include both Bodner-Partom's and Walker's material models. A finite element approach is employed to predict the inelastic buckling behavior. Numerical examples are given to demonstrate the effects of several parameters which include the temperature, thickness and flatness of the panel. Comparisons of buckling responses between Bodner-Partom's model and Walker's model are given. The creep buckling behavior, as an example of time-dependent inelastic deformation, is also presented.

Simultaneous measurement of thermal conductivity and heat capacity of bulk and thin film materials using frequency-dependent transient thermoreflectance method.

PubMed

Liu, Jun; Zhu, Jie; Tian, Miao; Gu, Xiaokun; Schmidt, Aaron; Yang, Ronggui

2013-03-01

The increasing interest in the extraordinary thermal properties of nanostructures has led to the development of various measurement techniques. Transient thermoreflectance method has emerged as a reliable measurement technique for thermal conductivity of thin films. In this method, the determination of thermal conductivity usually relies much on the accuracy of heat capacity input. For new nanoscale materials with unknown or less-understood thermal properties, it is either questionable to assume bulk heat capacity for nanostructures or difficult to obtain the bulk form of those materials for a conventional heat capacity measurement. In this paper, we describe a technique for simultaneous measurement of thermal conductivity κ and volumetric heat capacity C of both bulk and thin film materials using frequency-dependent time-domain thermoreflectance (TDTR) signals. The heat transfer model is analyzed first to find how different combinations of κ and C determine the frequency-dependent TDTR signals. Simultaneous measurement of thermal conductivity and volumetric heat capacity is then demonstrated with bulk Si and thin film SiO2 samples using frequency-dependent TDTR measurement. This method is further testified by measuring both thermal conductivity and volumetric heat capacity of novel hybrid organic-inorganic thin films fabricated using the atomic∕molecular layer deposition. Simultaneous measurement of thermal conductivity and heat capacity can significantly shorten the development∕discovery cycle of novel materials.

The time-dependent response of 3- and 5-layer sandwich beams

NASA Technical Reports Server (NTRS)

Hyer, M. W.; Oleksuk, L. S. S.; Bowles, D. E.

1992-01-01

Simple sandwich beam models have been developed to study the effect of the time-dependent constitutive properties of fiber-reinforced polymer matrix composites, considered for use in orbiting precision segmented reflectors, on the overall deformations. The 3- and 5-layer beam models include layers representing the face sheets, the core, and the adhesive. The static elastic deformation response of the sandwich beam models to a midspan point load is studied using the principle of stationary potential energy. In addition to quantitative conclusions, several assumptions are discussed which simplify the analysis for the case of more complicated material models. It is shown that the simple three-layer model is sufficient in many situations.

Redox States of Initial Atmospheres Outgassed on Rocky Planets and Planetesimals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schaefer, Laura; Fegley, Bruce Jr., E-mail: lschaefer@asu.edu

2017-07-10

The Earth and other rocky planets and planetesimals in the solar system formed through the mixing of materials from various radial locations in the solar nebula. This primordial material likely had a range of oxidation states as well as bulk compositions and volatile abundances. We investigate the oxygen fugacity produced by the outgassing of mixtures of solid meteoritic material, which approximate the primitive nebular materials. We find that the gas composition and oxygen fugacity of binary and ternary mixtures of meteoritic materials vary depending on the proportion of reduced versus oxidized material, and also find that mixtures using differentiated materialsmore » do not show the same oxygen fugacity trends as those using similarly reduced but undifferentiated materials. We also find that simply mixing the gases produced by individual meteoritic materials together does not correctly reproduce the gas composition or oxygen fugacity of the binary and ternary mixtures. We provide tabulated fits for the oxygen fugacities of all of the individual materials and binary mixtures that we investigate. These values may be useful in planetary formation models, models of volatile transport on planetesimals or meteorite parent bodies, or models of trace element partitioning during metal-silicate fractionation.« less

Recent advancements in 2D-materials interface based magnetic junctions for spintronics

NASA Astrophysics Data System (ADS)

Iqbal, Muhammad Zahir; Qureshi, Nabeel Anwar; Hussain, Ghulam

2018-07-01

Two-dimensional (2D) materials comprising of graphene, hexagonal boron nitride (hBN) and transition metal dichalcogenides (TMDs) have revealed fascinating properties in various spintronic architectures. Here, we review spin valve effect in lateral and vertical magnetic junctions incorporating 2D materials as non-magnetic layer between ferromagnetic (FM) electrodes. The magnetic field dependent spin transport properties are studied by measuring non-local resistance (RNL) and relative magnetoresistance ratio (MR) for lateral and vertical structures, respectively. The review consists of (i) studying spin lifetimes and spin diffusion length thereby exploring the effect of tunneling and transparent contacts in lateral spin valve structures, temperature dependence, gate tunability and contrasting mechanisms of spin relaxation in single layer graphene (SLG) and bilayer graphene (BLG) devices. (ii) Perpendicular spin valve devices are thoroughly investigated thereby studying the role of different 2D materials in vertical spin dynamics. The dependence of spin valve signal on interface quality, temperature and various other parameters is also investigated. Furthermore, the spin reversal in graphene-hBN hybrid system is examined on the basis of Julliere model.

Reduced Order Models for Dynamic Behavior of Elastomer Damping Devices

NASA Astrophysics Data System (ADS)

Morin, B.; Legay, A.; Deü, J.-F.

2016-09-01

In the context of passive damping, various mechanical systems from the space industry use elastomer components (shock absorbers, silent blocks, flexible joints...). The material of these devices has frequency, temperature and amplitude dependent characteristics. The associated numerical models, using viscoelastic and hyperelastic constitutive behaviour, may become computationally too expensive during a design process. The aim of this work is to propose efficient reduced viscoelastic models of rubber devices. The first step is to choose an accurate material model that represent the viscoelasticity. The second step is to reduce the rubber device finite element model to a super-element that keeps the frequency dependence. This reduced model is first built by taking into account the fact that the device's interfaces are much more rigid than the rubber core. To make use of this difference, kinematical constraints enforce the rigid body motion of these interfaces reducing the rubber device model to twelve dofs only on the interfaces (three rotations and three translations per face). Then, the superelement is built by using a component mode synthesis method. As an application, the dynamic behavior of a structure supported by four hourglass shaped rubber devices under harmonic loads is analysed to show the efficiency of the proposed approach.

Unified constitutive material models for nonlinear finite-element structural analysis. [gas turbine engine blades and vanes

NASA Technical Reports Server (NTRS)

Kaufman, A.; Laflen, J. H.; Lindholm, U. S.

1985-01-01

Unified constitutive material models were developed for structural analyses of aircraft gas turbine engine components with particular application to isotropic materials used for high-pressure stage turbine blades and vanes. Forms or combinations of models independently proposed by Bodner and Walker were considered. These theories combine time-dependent and time-independent aspects of inelasticity into a continuous spectrum of behavior. This is in sharp contrast to previous classical approaches that partition inelastic strain into uncoupled plastic and creep components. Predicted stress-strain responses from these models were evaluated against monotonic and cyclic test results for uniaxial specimens of two cast nickel-base alloys, B1900+Hf and Rene' 80. Previously obtained tension-torsion test results for Hastelloy X alloy were used to evaluate multiaxial stress-strain cycle predictions. The unified models, as well as appropriate algorithms for integrating the constitutive equations, were implemented in finite-element computer codes.

Toward a Mechanistic Understanding of Vertical Growth of van der Waals Stacked 2D Materials: A Multiscale Model and Experiments.

PubMed

Ye, Han; Zhou, Jiadong; Er, Dequan; Price, Christopher C; Yu, Zhongyuan; Liu, Yumin; Lowengrub, John; Lou, Jun; Liu, Zheng; Shenoy, Vivek B

2017-12-26

Vertical stacking of monolayers via van der Waals (vdW) interaction opens promising routes toward engineering physical properties of two-dimensional (2D) materials and designing atomically thin devices. However, due to the lack of mechanistic understanding, challenges remain in the controlled fabrication of these structures via scalable methods such as chemical vapor deposition (CVD) onto substrates. In this paper, we develop a general multiscale model to describe the size evolution of 2D layers and predict the necessary growth conditions for vertical (initial + subsequent layers) versus in-plane lateral (monolayer) growth. An analytic thermodynamic criterion is established for subsequent layer growth that depends on the sizes of both layers, the vdW interaction energies, and the edge energy of 2D layers. Considering the time-dependent growth process, we find that temperature and adatom flux from vapor are the primary criteria affecting the self-assembled growth. The proposed model clearly demonstrates the distinct roles of thermodynamic and kinetic mechanisms governing the final structure. Our model agrees with experimental observations of various monolayer and bilayer transition metal dichalcogenides grown by CVD and provides a predictive framework to guide the fabrication of vertically stacked 2D materials.

Ion beam sputter deposited zinc telluride films

NASA Technical Reports Server (NTRS)

Gulino, D. A.

1986-01-01

Zinc telluride is of interest as a potential electronic device material, particularly as one component in an amorphous superlattice, which is a new class of interesting and potentially useful materials. Some structural and electronic properties of ZnTe films deposited by argon ion beam sputter deposition are described. Films (up to 3000 angstroms thick) were deposited from a ZnTe target. A beam energy of 1000 eV and a current density of 4 mA/sq cm resulted in deposition rates of approximately 70 angstroms/min. The optical band gap was found to be approximately 1.1 eV, indicating an amorphous structure, as compared to a literature value of 2.26 eV for crystalline material. Intrinsic stress measurements showed a thickness dependence, varying from tensile for thicknesses below 850 angstroms to compressive for larger thicknesses. Room temperature conductivity measurement also showed a thickness dependence, with values ranging from 1.86 x 10 to the -6th/ohm cm for 300 angstrom film to 2.56 x 10 to the -1/ohm cm for a 2600 angstrom film. Measurement of the temperature dependence of the conductivity for these films showed complicated behavior which was thickness dependent. Thinner films showed at least two distinct temperature dependent conductivity mechanisms, as described by a Mott-type model. Thicker films showed only one principal conductivity mechanism, similar to what might be expected for a material with more crystalline character.

Ion beam sputter deposited zinc telluride films

NASA Technical Reports Server (NTRS)

Gulino, D. A.

1985-01-01

Zinc telluride is of interest as a potential electronic device material, particularly as one component in an amorphous superlattice, which is a new class of interesting and potentially useful materials. Some structural and electronic properties of ZnTe films deposited by argon ion beam sputter depoairion are described. Films (up to 3000 angstroms thick) were deposited from a ZnTe target. A beam energy of 1000 eV and a current density of 4 mA/sq. cm. resulted in deposition rates of approximately 70 angstroms/min. The optical band gap was found to be approximately 1.1 eV, indicating an amorphous structure, as compared to a literature value of 2.26 eV for crystalline material. Intrinsic stress measurements showed a thickness dependence, varying from tensile for thicknesses below 850 angstroms to compressive for larger thicknesses. Room temperature conductivity measurement also showed a thickness dependence, with values ranging from 1.86 x to to the -6/ohm. cm. for 300 angstrom film to 2.56 x 10 to the -1/ohm. cm. for a 2600 angstrom film. Measurement of the temperature dependence of the conductivity for these films showed complicated behavior which was thickness dependent. Thinner films showed at least two distinct temperature dependent conductivity mechanisms, as described by a Mott-type model. Thicker films showed only one principal conductivity mechanism, similar to what might be expected for a material with more crystalline character.

A finite nonlinear hyper-viscoelastic model for soft biological tissues.

PubMed

Panda, Satish Kumar; Buist, Martin Lindsay

2018-03-01

Soft tissues exhibit highly nonlinear rate and time-dependent stress-strain behaviour. Strain and strain rate dependencies are often modelled using a hyperelastic model and a discrete (standard linear solid) or continuous spectrum (quasi-linear) viscoelastic model, respectively. However, these models are unable to properly capture the materials characteristics because hyperelastic models are unsuited for time-dependent events, whereas the common viscoelastic models are insufficient for the nonlinear and finite strain viscoelastic tissue responses. The convolution integral based models can demonstrate a finite viscoelastic response; however, their derivations are not consistent with the laws of thermodynamics. The aim of this work was to develop a three-dimensional finite hyper-viscoelastic model for soft tissues using a thermodynamically consistent approach. In addition, a nonlinear function, dependent on strain and strain rate, was adopted to capture the nonlinear variation of viscosity during a loading process. To demonstrate the efficacy and versatility of this approach, the model was used to recreate the experimental results performed on different types of soft tissues. In all the cases, the simulation results were well matched (R 2 ⩾0.99) with the experimental data. Copyright © 2018 Elsevier Ltd. All rights reserved.

Modeling TiO2's refractive index function from bulk to nanoparticles

NASA Astrophysics Data System (ADS)

Jalava, Juho-Pertti; Taavitsainen, Veli-Matti; Lamminmäki, Ralf-Johan; Lindholm, Minna; Auvinen, Sami; Alatalo, Matti; Vartiainen, Erik; Haario, Heikki

2015-12-01

In recent decades, the use of nanomaterials has become very common. Different nanomaterials are being used in over 1600 consumer products. Nanomaterials have been defined as having at least one dimension in the range of 1-100 nm. Such materials often have unique properties. Despite some warnings of applying bulk optical constants for nano size materials, stated already in 1980s, bulk constants are still commonly used in the light scattering measurements of nano size particles. Titanium dioxide is one of the materials that is manufactured and used as an engineered nanomaterial in increasing quantities. Due to the aforementioned facts, it is quite crucial for successful research and production of nanoparticles to find out the dependence of the refractive index function (RIF) of the material on its crystal size. We have earlier performed several ab initio computations for obtaining the dependence of the RIF of TiO2 on the crystal or on the cluster size, for particles of size up to ca. 2 nm. Extending the calculations to greater sizes has turned out to be infeasible due to the unbearable increase in computational time. However, in this study we show how the crystal-size-dependent-RIF (CS-RIF), for both rutile and anatase can be modeled from measured extinction or turbidity spectra of samples with varying crystal and particle sizes. For computing the turbidity spectrum, we constructed a model including primary crystals whose distributions were parameterized by mean and standard deviation, and also including aggregates consisting of mean sized primary particles, parameterized just by mean aggregate size. Mainly because of the long computing times Mie calculation was used in the computation of extinction spectra. However, in practical process applications, the obtained RIF will be used together with the T-matrix method. We constructed the RIFs used in the model using generalized oscillator model (GOM) as expanded to crystal size dependence. The unknown parameters of the model were solved using nonlinear least squares estimation. When the crystal size becomes smaller than the bulk size the shape of the estimated CS-RIFs reveal two distinct regions for both rutile and anatase. In the first region, starting apparently already from ca. 200 nm, the height of both the real part and the imaginary part of CS-RIF decreases on crystal diameter. However, the band gap remains constant. In the second region, starting when the crystal diameter is decreased to ca. 3 nm, a blue shift starts to increase the band gap. The band gap dependence on crystal size is quite consistent with the existing experimental values. Consequently, it is of great importance to use CS-RIF in light scattering measurements for nanoparticle size determination. Neglecting this, the smaller particles in the size distribution will have too small values, already for sub-micrometer particles, naturally distorting also the mean value. To our knowledge, this is the first time ever that a CS-RIF from bulk to 1 nm size is determined for any material.

Effect of dislocation pile-up on size-dependent yield strength in finite single-crystal micro-samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pan, Bo; Shibutani, Yoji, E-mail: sibutani@mech.eng.osaka-u.ac.jp; Zhang, Xu

2015-07-07

Recent research has explained that the steeply increasing yield strength in metals depends on decreasing sample size. In this work, we derive a statistical physical model of the yield strength of finite single-crystal micro-pillars that depends on single-ended dislocation pile-up inside the micro-pillars. We show that this size effect can be explained almost completely by considering the stochastic lengths of the dislocation source and the dislocation pile-up length in the single-crystal micro-pillars. The Hall–Petch-type relation holds even in a microscale single-crystal, which is characterized by its dislocation source lengths. Our quantitative conclusions suggest that the number of dislocation sources andmore » pile-ups are significant factors for the size effect. They also indicate that starvation of dislocation sources is another reason for the size effect. Moreover, we investigated the explicit relationship between the stacking fault energy and the dislocation “pile-up” effect inside the sample: materials with low stacking fault energy exhibit an obvious dislocation pile-up effect. Our proposed physical model predicts a sample strength that agrees well with experimental data, and our model can give a more precise prediction than the current single arm source model, especially for materials with low stacking fault energy.« less

Microscale simulations of shock interaction with large assembly of particles for developing point-particle models

NASA Astrophysics Data System (ADS)

Thakur, Siddharth; Neal, Chris; Mehta, Yash; Sridharan, Prasanth; Jackson, Thomas; Balachandar, S.

2017-01-01

Micrsoscale simulations are being conducted for developing point-particle and other related models that are needed for the mesoscale and macroscale simulations of explosive dispersal of particles. These particle models are required to compute (a) instantaneous aerodynamic force on the particle and (b) instantaneous net heat transfer between the particle and the surrounding. A strategy for a sequence of microscale simulations has been devised that allows systematic development of the hybrid surrogate models that are applicable at conditions representative of the explosive dispersal application. The ongoing microscale simulations seek to examine particle force dependence on: (a) Mach number, (b) Reynolds number, and (c) volume fraction (different particle arrangements such as cubic, face-centered cubic (FCC), body-centered cubic (BCC) and random). Future plans include investigation of sequences of fully-resolved microscale simulations consisting of an array of particles subjected to more realistic time-dependent flows that progressively better approximate the actual problem of explosive dispersal. Additionally, effects of particle shape, size, and number in simulation as well as the transient particle deformation dependence on various parameters including: (a) particle material, (b) medium material, (c) multiple particles, (d) incoming shock pressure and speed, (e) medium to particle impedance ratio, (f) particle shape and orientation to shock, etc. are being investigated.

Simulation of Field Dependence of Critical Current Densities of Bulk High Tc Superconducting Materials regarding Thermally Activated Flux Motion

NASA Astrophysics Data System (ADS)

Santosh, M.; Naik, S. Pavan Kumar; Koblischka, M. R.

2017-07-01

In the upcoming generation, bulk high temperature superconductors (HTS) will play a crucial and a promising role in numerous industrial applications ranging from Maglev trains to magnetic resonance imaging, etc. Especially, the bulk HTS as permanent magnets are suitable due to the fact that they can trap magnetic fields being several orders of magnitude higher than those of the best hard ferromagnets. The bulk HTS LREBa2Cu3O7-δ (LREBCO or LRE-123, LRE: Y, Gd, etc.,) materials could obtain very powerful compact superconducting super-magnets, which can be operated at the cheaper liquid nitrogen temperature or below due to higher critical temperatures (i.e., ∼90 K). As a result, the new advanced technology can be utilized in a more attractive manner for a variety of technological and medical applications which have the capacity to revolutionize the field. An understanding of the magnetic field dependence of the critical current density (J c(H)) is important to develop better adapted materials. To achieve this goal, a variety of Jc (H) behaviours of bulk LREBCO samples were modelled regarding thermally activated flux motion. In essence, the Jc (H) curves follows a certain criterion where an exponential model is applied. However, to fit the complete Jc (H) curve of the LRE-123 samples an unique model is necessary to explain the behavior at low and high fields. The modelling of the various superconducting materials could be understood in terms of the pinning mechanisms.

The Challenge of Time-Dependent Control of Both Processing and Performance of Materials at the Mesoscale, and the MaRIE Project

NASA Astrophysics Data System (ADS)

Barnes, Cris W.

DOE and NNSA are recognizing a mission need for flexible and reduced-cost product-based solutions to materials through accelerated qualification, certification, and assessment. The science challenge lies between the nanoscale of materials and the integral device scale, at the middle or ''mesoscale'' where interfaces, defects, and microstructure determine the performance of the materials over the lifecycle of the intended use. Time-dependent control of the processing, structure and properties of materials at this scale lies at the heart of qualifying and certifying additive manufactured parts; experimental data of high fidelity and high resolution are necessary to discover the right physical mechanisms to model and to validate and calibrate those reduced-order models in codes on Exascale computers. The scientific requirements to do this are aided by a revolution in coherent imaging of non-periodic features that can be combined with scattering off periodic structures. This drives the need to require a coherent x-ray source, brilliant and high repetition rate, of sufficiently high energy to see into and through the mesoscale. The Matter-Radiation Interactions in Extremes (MaRIE) Project is a proposal to build such a very-high-energy X-ray Free Electron Laser.

Accelerated discovery of metallic glasses through iteration of machine learning and high-throughput experiments

PubMed Central

Wolverton, Christopher; Hattrick-Simpers, Jason; Mehta, Apurva

2018-01-01

With more than a hundred elements in the periodic table, a large number of potential new materials exist to address the technological and societal challenges we face today; however, without some guidance, searching through this vast combinatorial space is frustratingly slow and expensive, especially for materials strongly influenced by processing. We train a machine learning (ML) model on previously reported observations, parameters from physiochemical theories, and make it synthesis method–dependent to guide high-throughput (HiTp) experiments to find a new system of metallic glasses in the Co-V-Zr ternary. Experimental observations are in good agreement with the predictions of the model, but there are quantitative discrepancies in the precise compositions predicted. We use these discrepancies to retrain the ML model. The refined model has significantly improved accuracy not only for the Co-V-Zr system but also across all other available validation data. We then use the refined model to guide the discovery of metallic glasses in two additional previously unreported ternaries. Although our approach of iterative use of ML and HiTp experiments has guided us to rapid discovery of three new glass-forming systems, it has also provided us with a quantitatively accurate, synthesis method–sensitive predictor for metallic glasses that improves performance with use and thus promises to greatly accelerate discovery of many new metallic glasses. We believe that this discovery paradigm is applicable to a wider range of materials and should prove equally powerful for other materials and properties that are synthesis path–dependent and that current physiochemical theories find challenging to predict. PMID:29662953

Accelerated discovery of metallic glasses through iteration of machine learning and high-throughput experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Fang; Ward, Logan; Williams, Travis

With more than a hundred elements in the periodic table, a large number of potential new materials exist to address the technological and societal challenges we face today; however, without some guidance, searching through this vast combinatorial space is frustratingly slow and expensive, especially for materials strongly influenced by processing. We train a machine learning (ML) model on previously reported observations, parameters from physiochemical theories, and make it synthesis method–dependent to guide high-throughput (HiTp) experiments to find a new system of metallic glasses in the Co-V-Zr ternary. Experimental observations are in good agreement with the predictions of the model, butmore » there are quantitative discrepancies in the precise compositions predicted. We use these discrepancies to retrain the ML model. The refined model has significantly improved accuracy not only for the Co-V-Zr system but also across all other available validation data. We then use the refined model to guide the discovery of metallic glasses in two additional previously unreported ternaries. Although our approach of iterative use of ML and HiTp experiments has guided us to rapid discovery of three new glass-forming systems, it has also provided us with a quantitatively accurate, synthesis method–sensitive predictor for metallic glasses that improves performance with use and thus promises to greatly accelerate discovery of many new metallic glasses. We believe that this discovery paradigm is applicable to a wider range of materials and should prove equally powerful for other materials and properties that are synthesis path–dependent and that current physiochemical theories find challenging to predict.« less

Accelerated discovery of metallic glasses through iteration of machine learning and high-throughput experiments

DOE PAGES

Ren, Fang; Ward, Logan; Williams, Travis; ...

2018-04-01

With more than a hundred elements in the periodic table, a large number of potential new materials exist to address the technological and societal challenges we face today; however, without some guidance, searching through this vast combinatorial space is frustratingly slow and expensive, especially for materials strongly influenced by processing. We train a machine learning (ML) model on previously reported observations, parameters from physiochemical theories, and make it synthesis method–dependent to guide high-throughput (HiTp) experiments to find a new system of metallic glasses in the Co-V-Zr ternary. Experimental observations are in good agreement with the predictions of the model, butmore » there are quantitative discrepancies in the precise compositions predicted. We use these discrepancies to retrain the ML model. The refined model has significantly improved accuracy not only for the Co-V-Zr system but also across all other available validation data. We then use the refined model to guide the discovery of metallic glasses in two additional previously unreported ternaries. Although our approach of iterative use of ML and HiTp experiments has guided us to rapid discovery of three new glass-forming systems, it has also provided us with a quantitatively accurate, synthesis method–sensitive predictor for metallic glasses that improves performance with use and thus promises to greatly accelerate discovery of many new metallic glasses. We believe that this discovery paradigm is applicable to a wider range of materials and should prove equally powerful for other materials and properties that are synthesis path–dependent and that current physiochemical theories find challenging to predict.« less

Comparison of Predicted Thermoelectric Energy Conversion Efficiency by Cumulative Properties and Reduced Variables Approaches

NASA Astrophysics Data System (ADS)

Linker, Thomas M.; Lee, Glenn S.; Beekman, Matt

2018-06-01

The semi-analytical methods of thermoelectric energy conversion efficiency calculation based on the cumulative properties approach and reduced variables approach are compared for 21 high performance thermoelectric materials. Both approaches account for the temperature dependence of the material properties as well as the Thomson effect, thus the predicted conversion efficiencies are generally lower than that based on the conventional thermoelectric figure of merit ZT for nearly all of the materials evaluated. The two methods also predict material energy conversion efficiencies that are in very good agreement which each other, even for large temperature differences (average percent difference of 4% with maximum observed deviation of 11%). The tradeoff between obtaining a reliable assessment of a material's potential for thermoelectric applications and the complexity of implementation of the three models, as well as the advantages of using more accurate modeling approaches in evaluating new thermoelectric materials, are highlighted.

A loosely-coupled scheme for the interaction between a fluid, elastic structure and poroelastic material

NASA Astrophysics Data System (ADS)

Bukač, M.

2016-05-01

We model the interaction between an incompressible, viscous fluid, thin elastic structure and a poroelastic material. The poroelastic material is modeled using the Biot's equations of dynamic poroelasticity. The fluid, elastic structure and the poroelastic material are fully coupled, giving rise to a nonlinear, moving boundary problem with novel energy estimates. We present a modular, loosely coupled scheme where the original problem is split into the fluid sub-problem, elastic structure sub-problem and poroelasticity sub-problem. An energy estimate associated with the stability of the scheme is derived in the case where one of the coupling parameters, β, is equal to zero. We present numerical tests where we investigate the effects of the material properties of the poroelastic medium on the fluid flow. Our findings indicate that the flow patterns highly depend on the storativity of the poroelastic material and cannot be captured by considering fluid-structure interaction only.

Revisited reaction-diffusion model of thermal desorption spectroscopy experiments on hydrogen retention in material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guterl, Jerome, E-mail: jguterl@ucsd.edu; Smirnov, R. D.; Krasheninnikov, S. I.

Desorption phase of thermal desorption spectroscopy (TDS) experiments performed on tungsten samples exposed to flux of hydrogen isotopes in fusion relevant conditions is analyzed using a reaction-diffusion model describing hydrogen retention in material bulk. Two regimes of hydrogen desorption are identified depending on whether hydrogen trapping rate is faster than hydrogen diffusion rate in material during TDS experiments. In both regimes, a majority of hydrogen released from material defects is immediately outgassed instead of diffusing deeply in material bulk when the evolution of hydrogen concentration in material is quasi-static, which is the case during TDS experiments performed with tungsten samplesmore » exposed to flux of hydrogen isotopes in fusion related conditions. In this context, analytical expressions of the hydrogen outgassing flux as a function of the material temperature are obtained with sufficient accuracy to describe main features of thermal desorption spectra (TDSP). These expressions are then used to highlight how characteristic temperatures of TDSP depend on hydrogen retention parameters, such as trap concentration or activation energy of detrapping processes. The use of Arrhenius plots to characterize retention processes is then revisited when hydrogen trapping takes place during TDS experiments. Retention processes are also characterized using the shape of desorption peaks in TDSP, and it is shown that diffusion of hydrogen in material during TDS experiment can induce long desorption tails visible aside desorption peaks at high temperature in TDSP. These desorption tails can be used to estimate activation energy of diffusion of hydrogen in material.« less

The Aspects About of Objectively Appraisals of Modeling Gypsum Quality and Composites of Phonic-Absorbent and Orthopedic on Base of Gypsum

NASA Astrophysics Data System (ADS)

Pop, P. A.; Ungur, P. A.; Lazar, L.; Marcu, F.

2009-11-01

The EU Norms about of protection environment, outside and inside ambient, and human health demands has lead at obtain of new materials on the base of airborne material, with high thermo and phonic-absorbent properties, porous and lightweight. The α and β-modeling gypsum plaster quality and lightweight depend on many factors as: fabrication process, granulation, roast temperature, work temperature, environment, additives used, breakage, etc. Also, the objectively appraisal of modeling gypsum quality depends of proper tests methods selection, which are legislated in norms, standards and recommendations. In Romanian Standards SR EN 13279-1/2005 and SR EN 13279-2/2005, adaptable from EU Norms EN 13279-1/2004 and EN 13279-2/2004, the characteristics gypsum family tests are well specification, as: granule-metric analysis, determination of water/plaster ratio, setting time, mechanical characteristics, adhesions and water restrain. For plaster with special use (phonic-absorbent and orthopedic materials, etc.) these determinations are not concluding, being necessary more parameters finding, as: elastic constant, phonic-absorbent coefficient, porosity, working, etc., which is imposed the completion of norms and standards with new determinations.

Characterization of Time-Dependent Behavior of Ramming Paste Used in an Aluminum Electrolysis Cell

NASA Astrophysics Data System (ADS)

Orangi, Sakineh; Picard, Donald; Alamdari, Houshang; Ziegler, Donald; Fafard, Mario

2015-12-01

A new methodology was proposed for the characterization of time-dependent behavior of materials in order to develop a constitutive model. The material used for the characterization was ramming paste, a porous material used in an aluminum electrolysis cell, which is baked in place under varying loads induced by the thermal expansion of other components of the cell. In order to develop a constitutive model representing the paste mechanical behavior, it was necessary to get some insight into its behavior using samples which had been baked at different temperatures ranging from 200 to 1000 °C. Creep stages, effect of testing temperature on the creep, creep-recovery, as well as nonlinear creep were observed for designing a constitutive law. Uniaxial creep-recovery tests were carried out at two temperatures on the baked paste: ambient and higher. Results showed that the shape of creep curves was similar to a typical creep; recovery happened and the creep was shown to be nonlinear. Those experimental observations and the identification of nonlinear parameters of developed constitutive model demonstrated that the baked paste experiences nonlinear viscoelastic-viscoplastic behavior at different temperatures.

Development and parameter identification of a visco-hyperelastic model for the periodontal ligament.

PubMed

Huang, Huixiang; Tang, Wencheng; Tan, Qiyan; Yan, Bin

2017-04-01

The present study developed and implemented a new visco-hyperelastic model that is capable of predicting the time-dependent biomechanical behavior of the periodontal ligament. The constitutive model has been implemented into the finite element package ABAQUS by means of a user-defined material subroutine (UMAT). The stress response is decomposed into two constitutive parts in parallel which are a hyperelastic and a time-dependent viscoelastic stress response. In order to identify the model parameters, the indentation equation based on V-W hyperelastic model and the indentation creep model are developed. Then the parameters are determined by fitting them to the corresponding nanoindentation experimental data of the PDL. The nanoindentation experiment was simulated by finite element analysis to validate the visco-hyperelastic model. The simulated results are in good agreement with the experimental data, which demonstrates that the visco-hyperelastic model developed is able to accurately predict the time-dependent mechanical behavior of the PDL. Copyright © 2017 Elsevier Ltd. All rights reserved.

Shock Wave Propagation in Cementitious Materials at Micro/Meso Scales

NASA Astrophysics Data System (ADS)

Rajendran, Arunachalam

2015-06-01

The mechanical and constitutive response of materials like cement, and bio materials like fish scale and abalone shell is very complex due to heterogeneities that are inherently present in the nano and microstructures. The intrinsic constitutive behaviors are driven by the chemical composition and the molecular, micro, and meso structures. Therefore, it becomes important to identify the material genome as the building block for the material. For instance, in cementitious materials, the genome of C-S-H phase (the glue or the paste) that holds the various clinkers, such as the dicalcium silicate, tricalcium silicate, calcium ferroaluminates, and others is extremely complex. Often mechanical behaviors of C-S-H type materials are influenced by the chemistry and the structures at all nano to micro length scales. By explicitly modeling the molecular structures using appropriate potentials, it is then possible to compute the elastic tensor from molecular dynamics simulations using all atom method. The elastic tensors for the C-S-H gel and other clinkers are determined using the software suite ``Accelrys Materials Studio.'' A strain rate dependent, fracture mechanics based tensile damage model has been incorporated into ABAQUS finite element code to model spall evolution in the heterogeneous cementitious material with all constituents explicitly modeled through one micron element resolution. This paper presents results from nano/micro/meso scale analyses of shock wave propagation in a heterogeneous cementitious material using both molecular dynamic and finite element codes.

The Time-Dependent Chemistry of Cometary Debris in the Solar Corona

NASA Technical Reports Server (NTRS)

Pesnell, W. D.; Bryans, P.

2015-01-01

Recent improvements in solar observations have greatly progressed the study of sungrazing comets. They can now be imaged along the entirety of their perihelion passage through the solar atmosphere, revealing details of their composition and structure not measurable through previous observations in the less volatile region of the orbit further from the solar surface. Such comets are also unique probes of the solar atmosphere. The debris deposited by sungrazers is rapidly ionized and subsequently influenced by the ambient magnetic field. Measuring the spectral signature of the deposited material highlights the topology of the magnetic field and can reveal plasma parameters such as the electron temperature and density. Recovering these variables from the observable data requires a model of the interaction of the cometary species with the atmosphere through which they pass. The present paper offers such a model by considering the time-dependent chemistry of sublimated cometary species as they interact with the solar radiation field and coronal plasma. We expand on a previous simplified model by considering the fully time-dependent solutions of the emitting species' densities. To compare with observations, we consider a spherically symmetric expansion of the sublimated material into the corona and convert the time-dependent ion densities to radial profiles. Using emissivities from the CHIANTI database and plasma parameters derived from a magnetohydrodynamic simulation leads to a spatially dependent emission spectrum that can be directly compared with observations. We find our simulated spectra to be consistent with observation.

Mechanical characterization and modeling for anodes and cathodes in lithium-ion batteries

NASA Astrophysics Data System (ADS)

Wang, Lubing; Yin, Sha; Zhang, Chao; Huan, Yong; Xu, Jun

2018-07-01

Mechanical properties of electrode materials have significant influence over electrochemical properties as well as mechanical integrity of lithium-ion battery cells. Here, anode and cathode in a commercially available 18650 NCA (Nickel Cobalt Aluminum Oxide)/graphite cell were comprehensively studied by tensile tests considering material anisotropy, SOC (state of charge), strain rate and electrolyte content. Results showed that the mechanical properties of both electrodes were highly dependent on strain rate and electrolyte content; however, anode was SOC dependent while cathode was not. Besides, coupled effects of strain rate and SOC of anodes were also discussed. SEM (scanning electron microscope) images of surfaces and cross-sections of electrodes showed the fracture morphology. In addition, mechanical behavior of Cu foil separated from anode with different SOC values were studied and compared. Finally, constitutive models of electrodes considering both strain rate and anisotropy effects were established. This study reveals the relationship between electrochemical dependent mechanical behavior of the electrodes. The established mechanical models of electrodes can be applied to the numerical computation of battery cells. Results are essential to predict the mechanical responses as well as the deformation of battery cell under various loading conditions, facilitating safer battery design and manufacturing.

Development of a Subcell Based Modeling Approach for Modeling the Architecturally Dependent Impact Response of Triaxially Braided Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Sorini, Chris; Chattopadhyay, Aditi; Goldberg, Robert K.; Kohlman, Lee W.

2016-01-01

Understanding the high velocity impact response of polymer matrix composites with complex architectures is critical to many aerospace applications, including engine fan blade containment systems where the structure must be able to completely contain fan blades in the event of a blade-out. Despite the benefits offered by these materials, the complex nature of textile composites presents a significant challenge for the prediction of deformation and damage under both quasi-static and impact loading conditions. The relatively large mesoscale repeating unit cell (in comparison to the size of structural components) causes the material to behave like a structure rather than a homogeneous material. Impact experiments conducted at NASA Glenn Research Center have shown the damage patterns to be a function of the underlying material architecture. Traditional computational techniques that involve modeling these materials using smeared homogeneous, orthotropic material properties at the macroscale result in simulated damage patterns that are a function of the structural geometry, but not the material architecture. In order to preserve heterogeneity at the highest length scale in a robust yet computationally efficient manner, and capture the architecturally dependent damage patterns, a previously-developed subcell modeling approach where the braided composite unit cell is approximated as a series of four adjacent laminated composites is utilized. This work discusses the implementation of the subcell methodology into the commercial transient dynamic finite element code LS-DYNA (Livermore Software Technology Corp.). Verification and validation studies are also presented, including simulation of the tensile response of straight-sided and notched quasi-static coupons composed of a T700/PR520 triaxially braided [0deg/60deg/-60deg] composite. Based on the results of the verification and validation studies, advantages and limitations of the methodology as well as plans for future work are discussed.

Strain Localization and Weakening Processes in Viscously Deforming Rocks: Numerical Modeling Based on Laboratory Torsion Experiments

NASA Astrophysics Data System (ADS)

Doehmann, M.; Brune, S.; Nardini, L.; Rybacki, E.; Dresen, G.

2017-12-01

Strain localization is an ubiquitous process in earth materials observed over a broad range of scales in space and time. Localized deformation and the formation of shear zones and faults typically involves material softening by various processes, like shear heating and grain size reduction. Numerical modeling enables us to study the complex physical and chemical weakening processes by separating the effect of individual parameters and boundary conditions. Using simple piece-wise linear functions for the parametrization of weakening processes allows studying a system at a chosen (lower) level of complexity (e.g. Cyprych et al., 2016). In this study, we utilize a finite element model to test two weakening laws that reduce the strength of the material depending on either the I) amount of accumulated strain or II) deformational work. Our 2D Cartesian models are benchmarked to single inclusion torsion experiments performed at elevated temperatures of 900 °C and pressures of up to 400 MPa (Rybacki et al., 2014). The experiments were performed on Carrara marble samples containing a weak Solnhofen limestone inclusion at a maximum strain rate of 2.0*10-4 s-1. Our models are designed to reproduce shear deformation of a hollow cylinder equivalent to the laboratory setup, such that material leaving one side of the model in shear direction enters again on the opposite side using periodic boundary conditions. Similar to the laboratory tests, we applied constant strain rate and constant stress boundary conditions.We use our model to investigate the time-dependent distribution of stress and strain and the effect of different parameters. For instance, inclusion rotation is shown to be strongly dependent on the viscosity ratio between matrix and inclusion and stronger ductile weakening increases the localization rate while decreasing shear zone width. The most suitable weakening law for representation of ductile rock is determined by combining the results of parameter tests with the comparison of our numerical models to the torsion experiments. In the future, this law will be applied first to investigate shear zone formation and then study localization in larger scale rift models.Cyprych, D. et al. (2016). Geochem Geophys, 17(9), 3608-3628. Rybacki, E. (2014). Tectonophysics, 634, 182-197.

The Use of Empirical Methods for Testing Granular Materials in Analogue Modelling

PubMed Central

Montanari, Domenico; Agostini, Andrea; Bonini, Marco; Corti, Giacomo; Del Ventisette, Chiara

2017-01-01

The behaviour of a granular material is mainly dependent on its frictional properties, angle of internal friction, and cohesion, which, together with material density, are the key factors to be considered during the scaling procedure of analogue models. The frictional properties of a granular material are usually investigated by means of technical instruments such as a Hubbert-type apparatus and ring shear testers, which allow for investigating the response of the tested material to a wide range of applied stresses. Here we explore the possibility to determine material properties by means of different empirical methods applied to mixtures of quartz and K-feldspar sand. Empirical methods exhibit the great advantage of measuring the properties of a certain analogue material under the experimental conditions, which are strongly sensitive to the handling techniques. Finally, the results obtained from the empirical methods have been compared with ring shear tests carried out on the same materials, which show a satisfactory agreement with those determined empirically. PMID:28772993

A new mode of contrast in biological second harmonic generation microscopy.

PubMed

Green, Nicola H; Delaine-Smith, Robin M; Askew, Hannah J; Byers, Robert; Reilly, Gwendolen C; Matcher, Stephen J

2017-10-17

Enhanced image contrast in biological second harmonic imaging microscopy (SHIM) has previously been reported via quantitative assessments of forward- to epi-generated signal intensity ratio and by polarization analysis. Here we demonstrate a new form of contrast: the material-specific, wavelength-dependence of epi-generated second harmonic generation (SHG) excitation efficiency, and discriminate collagen and myosin by ratiometric epi-generated SHG images at 920 nm and 860 nm. Collagen shows increased SHG intensity at 920 nm, while little difference is detected between the two for myosin; allowing SHIM to characterize different SHG-generating components within a complex biological sample. We propose that momentum-space mapping of the second-order non-linear structure factor is the source of this contrast and develop a model for the forward and epi-generated SHG wavelength-dependence. Our model demonstrates that even very small changes in the assumed material fibrillar structure can produce large changes in the wavelength-dependency of epi-generated SHG. However, in the case of forward SHG, although the same changes impact upon absolute intensity at a given wavelength, they have very little effect on wavelength-dependency beyond the expected monotonic fall. We also propose that this difference between forward and epi-generated SHG provides an explanation for many of the wavelength-dependency discrepancies in the published literature.

Energy dependence of effective electron mass and laser-induced ionization of wide band-gap solids

NASA Astrophysics Data System (ADS)

Gruzdev, V. E.

2008-10-01

Most of the traditional theoretical models of laser-induced ionization were developed under the assumption of constant effective electron mass or weak dependence of the effective mass on electron energy. Those assumptions exclude from consideration all the effects resulting from significant increase of the effective mass with increasing of electron energy in real the conduction band. Promotion of electrons to the states with high effective mass can be done either via laserinduced electron oscillations or via electron-particle collisions. Increase of the effective mass during laser-material interactions can result in specific regimes of ionization. Performing a simple qualitative analysis by comparison of the constant-mass approximation vs realistic dependences of the effective mass on electron energy, we demonstrate that the traditional ionization models provide reliable estimation of the ionization rate in a very limited domain of laser intensity and wavelength. By taking into account increase of the effective mass with electron energy, we demonstrate that special regimes of high-intensity photo-ionization are possible depending on laser and material parameters. Qualitative analysis of the energy dependence of the effective mass also leads to conclusion that the avalanche ionization can be stopped by the effect of electron trapping in the states with large values of the effective mass.

Modeling thermoelectric transport in organic materials.

PubMed

Wang, Dong; Shi, Wen; Chen, Jianming; Xi, Jinyang; Shuai, Zhigang

2012-12-28

Thermoelectric energy converters can directly convert heat to electricity using semiconducting materials via the Seebeck effect and electricity to heat via the Peltier effect. Their efficiency depends on the dimensionless thermoelectric figure of merit of the material, which is defined as zT = S(2)σT/κ with S, σ, κ, and T being the Seebeck coefficient, electrical conductivity, thermal conductivity, and absolute temperature respectively. Organic materials for thermoelectric applications have attracted great attention. In this review, we present our recent progress made in developing theories and computational schemes to predict the thermoelectric figure of merit at the first-principles level. The methods have been applied to model thermoelectric transport in closely-packed molecular crystals and one-dimensional conducting polymer chains. The physical insight gained in these studies will help in the design of efficient organic thermoelectric materials.

Analysis of effective thermal conductivity of fibrous materials

NASA Technical Reports Server (NTRS)

Futschik, Michael W.; Witte, Larry C.

1993-01-01

The objective of this research is to gain a better understanding of the various mechanisms of heat transfer through fibrous materials and to gain insight into how fill-gas pressure influences the effective thermal conductivity. By way of first principles and some empiricism, two mathematical models are constructed to correlate experimental data. The data are obtained from a test series measuring the effective thermal conductivity of Nomex using a two-sided guarded hot-plate heater apparatus. Tests are conducted for certain mean temperatures and fill-gases over a range of pressures varying from vacuum to atmospheric conditions. The models are then evaluated to determine their effectiveness in representing the effective thermal conductivity of a fibrous material. The models presented herein predict the effective thermal conductivity of Nomex extremely well. Since the influence of gas conduction is determined to be the most influential component in predicting the effective thermal conductivity of a fibrous material, an improved representation of gas conduction is developed. Finally, some recommendations for extension to other random-oriented fiber materials are made concerning the usefulness of each model depending on their advantages and disadvantages.

LS-DYNA Implementation of Polymer Matrix Composite Model Under High Strain Rate Impact

NASA Technical Reports Server (NTRS)

Zheng, Xia-Hua; Goldberg, Robert K.; Binienda, Wieslaw K.; Roberts, Gary D.

2003-01-01

A recently developed constitutive model is implemented into LS-DYNA as a user defined material model (UMAT) to characterize the nonlinear strain rate dependent behavior of polymers. By utilizing this model within a micromechanics technique based on a laminate analogy, an algorithm to analyze the strain rate dependent, nonlinear deformation of a fiber reinforced polymer matrix composite is then developed as a UMAT to simulate the response of these composites under high strain rate impact. The models are designed for shell elements in order to ensure computational efficiency. Experimental and numerical stress-strain curves are compared for two representative polymers and a representative polymer matrix composite, with the analytical model predicting the experimental response reasonably well.

Timber products output and timber harvests in Alaska: projections for 1992-2010.

Treesearch

D.J. Brooks; R.W. Haynes

1994-01-01

Projections of Alaska timber products output, the derived demand for raw material, and timber harvest by owner are developed from a trend-based analysis. By using a spread-sheet model, material flows in the Alaska forest sectorare fully accounted for. Demand for Alaska national forest timber is projected and depends on product output and harvest by other owners. Key...

Using Tabulated Experimental Data to Drive an Orthotropic Elasto-Plastic Three-Dimensional Model for Impact Analysis

NASA Technical Reports Server (NTRS)

Hoffarth, C.; Khaled, B.; Rajan, S. D.; Goldberg, R.; Carney, K.; DuBois, P.; Blankenhorn, Gunther

2016-01-01

An orthotropic elasto-plastic-damage three-dimensional model with tabulated input has been developed to analyze the impact response of composite materials. The theory has been implemented as MAT 213 into a tailored version of LS-DYNA being developed under a joint effort of the FAA and NASA and has the following features: (a) the theory addresses any composite architecture that can be experimentally characterized as an orthotropic material and includes rate and temperature sensitivities, (b) the formulation is applicable for solid as well as shell element implementations and utilizes input data in a tabulated form directly from processed experimental data, (c) deformation and damage mechanics are both accounted for within the material model, (d) failure criteria are established that are functions of strain and damage parameters, and mesh size dependence is included, and (e) the theory can be efficiently implemented into a commercial code for both sequential and parallel executions. The salient features of the theory as implemented in LS-DYNA are illustrated using a widely used composite - the T800S/3900-2B[P2352W-19] BMS8-276 Rev-H-Unitape fiber/resin unidirectional composite. First, the experimental tests to characterize the deformation, damage and failure parameters in the material behavior are discussed. Second, the MAT213 input model and implementation details are presented with particular attention given to procedures that have been incorporated to ensure that the yield surfaces in the rate and temperature dependent plasticity model are convex. Finally, the paper concludes with a validation test designed to test the stability, accuracy and efficiency of the implemented model.

Chemical modeling of acid-base properties of soluble biopolymers derived from municipal waste treatment materials.

PubMed

Tabasso, Silvia; Berto, Silvia; Rosato, Roberta; Marinos, Janeth Alicia Tafur; Ginepro, Marco; Zelano, Vincenzo; Daniele, Pier Giuseppe; Montoneri, Enzo

2015-02-04

This work reports a study of the proton-binding capacity of biopolymers obtained from different materials supplied by a municipal biowaste treatment plant located in Northern Italy. One material was the anaerobic fermentation digestate of the urban wastes organic humid fraction. The others were the compost of home and public gardening residues and the compost of the mix of the above residues, digestate and sewage sludge. These materials were hydrolyzed under alkaline conditions to yield the biopolymers by saponification. The biopolymers were characterized by 13C NMR spectroscopy, elemental analysis and potentiometric titration. The titration data were elaborated to attain chemical models for interpretation of the proton-binding capacity of the biopolymers obtaining the acidic sites concentrations and their protonation constants. The results obtained with the models and by NMR spectroscopy were elaborated together in order to better characterize the nature of the macromolecules. The chemical nature of the biopolymers was found dependent upon the nature of the sourcing materials.

Chemical Modeling of Acid-Base Properties of Soluble Biopolymers Derived from Municipal Waste Treatment Materials

PubMed Central

Tabasso, Silvia; Berto, Silvia; Rosato, Roberta; Tafur Marinos, Janeth Alicia; Ginepro, Marco; Zelano, Vincenzo; Daniele, Pier Giuseppe; Montoneri, Enzo

2015-01-01

This work reports a study of the proton-binding capacity of biopolymers obtained from different materials supplied by a municipal biowaste treatment plant located in Northern Italy. One material was the anaerobic fermentation digestate of the urban wastes organic humid fraction. The others were the compost of home and public gardening residues and the compost of the mix of the above residues, digestate and sewage sludge. These materials were hydrolyzed under alkaline conditions to yield the biopolymers by saponification. The biopolymers were characterized by 13C NMR spectroscopy, elemental analysis and potentiometric titration. The titration data were elaborated to attain chemical models for interpretation of the proton-binding capacity of the biopolymers obtaining the acidic sites concentrations and their protonation constants. The results obtained with the models and by NMR spectroscopy were elaborated together in order to better characterize the nature of the macromolecules. The chemical nature of the biopolymers was found dependent upon the nature of the sourcing materials. PMID:25658795

Modeling defect cluster evolution in irradiated structural materials: Focus on comparing to high-resolution experimental characterization studies

DOE PAGES

Wirth, Brian D.; Hu, Xunxiang; Kohnert, Aaron; ...

2015-03-02

Exposure of metallic structural materials to irradiation environments results in significant microstructural evolution, property changes, and performance degradation, which limits the extended operation of current generation light water reactors and restricts the design of advanced fission and fusion reactors. Further, it is well recognized that these irradiation effects are a classic example of inherently multiscale phenomena and that the mix of radiation-induced features formed and the corresponding property degradation depend on a wide range of material and irradiation variables. This inherently multiscale evolution emphasizes the importance of closely integrating models with high-resolution experimental characterization of the evolving radiation-damaged microstructure. Lastly,more » this article provides a review of recent models of the defect microstructure evolution in irradiated body-centered cubic materials, which provide good agreement with experimental measurements, and presents some outstanding challenges, which will require coordinated high-resolution characterization and modeling to resolve.« less

Dynamics in thin folded polymer films

NASA Astrophysics Data System (ADS)

Croll, Andrew; Rozairo, Damith

Origami and Kirigami inspired structures depend on a complex interplay between geometry and material properties. While clearly important to the overall function, very little attention has focused on how extreme curvatures and singularities in real materials influence the overall dynamic behaviour of folded structures. In this work we use a set of three polymer thin films in order to closely examine the interaction of material and geometry. Specifically, we use polydimethylsiloxane (PDMS), polystyrene (PS) and polycarbonate (PC) thin films which we subject to loading in several model geometries of varying complexity. Depending on the material, vastly different responses are noted in our experiments; D-cones can annihilate, cut or lead to a crumpling cascade when pushed through a film. Remarkably, order can be generated with additional perturbation. Finally, the role of adhesion in complex folded structures can be addressed. AFOSR under the Young Investigator Program (FA9550-15-1-0168).

General, Unified, Multiscale Modeling to Predict the Sensitivity of Energetic Materials

DTIC Science & Technology

2011-10-05

Time dependence of molecular carbon cluster size in solid methane shocked with a piston velocity up =11 km /s. The initial temperature and density were...Galilean in- variant in configuration space, but the kinetic energy of the system depends on the scalar product of the total momentum with U. To... dependent superheating of the x-component shock direction of kinetic energy . This 224513-4 Dawes et al. J. Chem. Phys. 131, 224513 2009 Author

Numerical Simulation Of Cratering Effects In Adobe

DTIC Science & Technology

2013-07-01

DEVELOPMENT OF MATERIAL PARAMETERS .........................................................7 PROBLEM SETUP...37 PARAMETER ADJUSTMENTS ......................................................................................38 GLOSSARY...dependent yield surface with the Geological Yield Surface (GEO) modeled in CTH using well characterized adobe. By identifying key parameters that

Analysis of Computational Models of Shaped Charges for Jet Formation and Penetration

NASA Astrophysics Data System (ADS)

Haefner, Jonah; Ferguson, Jim

2016-11-01

Shaped charges came into use during the Second World War demonstrating the immense penetration power of explosively formed projectiles and since has become a tool used by nearly every nation in the world. Penetration is critically dependent on how the metal liner is collapsed into a jet. The theory of jet formation has been studied in depth since the late 1940s, based on simple models that neglect the strength and compressibility of the metal liner. Although attempts have been made to improve these models, simplifying assumptions limit the understanding of how the material properties affect the jet formation. With a wide range of material and strength models available for simulation, a validation study was necessary to guide code users in choosing models for shaped charge simulations. Using PAGOSA, a finite-volume Eulerian hydrocode designed to model hypervelocity materials and strong shock waves developed by Los Alamos National Laboratory, and experimental data, we investigated the effects of various equations of state and material strength models on jet formation and penetration of a steel target. Comparing PAGOSA simulations against modern experimental data, we analyzed the strengths and weaknesses of available computational models. LA-UR-16-25639 Los Alamos National Laboratory.

A hydrodynamic model for granular material flows including segregation effects

NASA Astrophysics Data System (ADS)

Gilberg, Dominik; Klar, Axel; Steiner, Konrad

2017-06-01

The simulation of granular flows including segregation effects in large industrial processes using particle methods is accurate, but very time-consuming. To overcome the long computation times a macroscopic model is a natural choice. Therefore, we couple a mixture theory based segregation model to a hydrodynamic model of Navier-Stokes-type, describing the flow behavior of the granular material. The granular flow model is a hybrid model derived from kinetic theory and a soil mechanical approach to cover the regime of fast dilute flow, as well as slow dense flow, where the density of the granular material is close to the maximum packing density. Originally, the segregation model has been formulated by Thornton and Gray for idealized avalanches. It is modified and adapted to be in the preferred form for the coupling. In the final coupled model the segregation process depends on the local state of the granular system. On the other hand, the granular system changes as differently mixed regions of the granular material differ i.e. in the packing density. For the modeling process the focus lies on dry granular material flows of two particle types differing only in size but can be easily extended to arbitrary granular mixtures of different particle size and density. To solve the coupled system a finite volume approach is used. To test the model the rotational mixing of small and large particles in a tumbler is simulated.

In Depth Analysis of AVCOAT TPS Response to a Reentry Flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Titov, E. V.; Kumar, Rakesh; Levin, D. A.

2011-05-20

Modeling of the high altitude portion of reentry vehicle trajectories with DSMC or statistical BGK solvers requires accurate evaluation of the boundary conditions at the ablating TPS surface. Presented in this article is a model which takes into account the complex ablation physics including the production of pyrolysis gases, and chemistry at the TPS surface. Since the ablation process is time dependent the modeling of the material response to the high energy reentry flow starts with the solution of the rarefied flow over the vehicle and then loosely couples with the material response. The objective of the present work ismore » to carry out conjugate thermal analysis by weakly coupling a flow solver to a material thermal response model. The latter model solves the one dimensional heat conduction equation accounting for the pyrolysis process that takes place in the reaction zone of an ablative thermal protection system (TPS) material. An estimate of the temperature range within which the pyrolysis reaction (decomposition and volatilization) takes place is obtained from Ref. [1]. The pyrolysis reaction results in the formation of char and the release of gases through the porous charred material. These gases remove additional amount of heat as they pass through the material, thus cooling the material (the process known as transpiration cooling). In the present work, we incorporate the transpiration cooling model in the material thermal response code in addition to the pyrolysis model. The flow in the boundary layer and in the vicinity of the TPS material is in the transitional flow regime. Therefore, we use a previously validated statistical BGK method to model the flow physics in the vicinity of the micro-cracks, since the BGK method allows simulations of flow at pressures higher than can be computed using DSMC.« less

A Pressure-Dependent Damage Model for Energetic Materials

DTIC Science & Technology

2013-04-01

appropriate damage nucleation and evolution laws, and the equation of state ) with its reactive response. 15. SUBJECT TERMS pressure-dependent...evolution laws, and the equation of state ) with its reactive response. INTRODUCTION Explosions and deflagrations are classifications of sub-detonative...energetic material’s mechanical response (through the yield criterion, damage evolution and equation of state ) with its reactive response. DAMAGE-FREE

Statistical shear lag model - unraveling the size effect in hierarchical composites.

PubMed

Wei, Xiaoding; Filleter, Tobin; Espinosa, Horacio D

2015-05-01

Numerous experimental and computational studies have established that the hierarchical structures encountered in natural materials, such as the brick-and-mortar structure observed in sea shells, are essential for achieving defect tolerance. Due to this hierarchy, the mechanical properties of natural materials have a different size dependence compared to that of typical engineered materials. This study aimed to explore size effects on the strength of bio-inspired staggered hierarchical composites and to define the influence of the geometry of constituents in their outstanding defect tolerance capability. A statistical shear lag model is derived by extending the classical shear lag model to account for the statistics of the constituents' strength. A general solution emerges from rigorous mathematical derivations, unifying the various empirical formulations for the fundamental link length used in previous statistical models. The model shows that the staggered arrangement of constituents grants composites a unique size effect on mechanical strength in contrast to homogenous continuous materials. The model is applied to hierarchical yarns consisting of double-walled carbon nanotube bundles to assess its predictive capabilities for novel synthetic materials. Interestingly, the model predicts that yarn gauge length does not significantly influence the yarn strength, in close agreement with experimental observations. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Life prediction of thermally highly loaded components: modelling the damage process of a rocket combustion chamber hot wall

NASA Astrophysics Data System (ADS)

Schwarz, W.; Schwub, S.; Quering, K.; Wiedmann, D.; Höppel, H. W.; Göken, M.

2011-09-01

During their operational life-time, actively cooled liners of cryogenic combustion chambers are known to exhibit a characteristic so-called doghouse deformation, pursued by formation of axial cracks. The present work aims at developing a model that quantitatively accounts for this failure mechanism. High-temperature material behaviour is characterised in a test programme and it is shown that stress relaxation, strain rate dependence, isotropic and kinematic hardening as well as material ageing have to be taken into account in the model formulation. From fracture surface analyses of a thrust chamber it is concluded that the failure mode of the hot wall ligament at the tip of the doghouse is related to ductile rupture. A material model is proposed that captures all stated effects. Basing on the concept of continuum damage mechanics, the model is further extended to incorporate softening effects due to material degradation. The model is assessed on experimental data and quantitative agreement is established for all tests available. A 3D finite element thermo-mechanical analysis is performed on a representative thrust chamber applying the developed material-damage model. The simulation successfully captures the observed accrued thinning of the hot wall and quantitatively reproduces the doghouse deformation.

A simulation study of detection of weapon of mass destruction based on radar

NASA Astrophysics Data System (ADS)

Sharifahmadian, E.; Choi, Y.; Latifi, S.

2013-05-01

Typical systems used for detection of Weapon of Mass Destruction (WMD) are based on sensing objects using gamma rays or neutrons. Nonetheless, depending on environmental conditions, current methods for detecting fissile materials have limited distance of effectiveness. Moreover, radiation related to gamma- rays can be easily shielded. Here, detecting concealed WMD from a distance is simulated and studied based on radar, especially WideBand (WB) technology. The WB-based method capitalizes on the fact that electromagnetic waves penetrate through different materials at different rates. While low-frequency waves can pass through objects more easily, high-frequency waves have a higher rate of absorption by objects, making the object recognition easier. Measuring the penetration depth allows one to identify the sensed material. During simulation, radar waves and propagation area including free space, and objects in the scene are modeled. In fact, each material is modeled as a layer with a certain thickness. At start of simulation, a modeled radar wave is radiated toward the layers. At the receiver side, based on the received signals from every layer, each layer can be identified. When an electromagnetic wave passes through an object, the wave's power will be subject to a certain level of attenuation depending of the object's characteristics. Simulation is performed using radar signals with different frequencies (ranges MHz-GHz) and powers to identify different layers.

Temperature-dependent poroelastic and viscoelastic effects on microscale-modelling of seismic reflections in heavy oil reservoirs

NASA Astrophysics Data System (ADS)

Ciz, Radim; Saenger, Erik H.; Gurevich, Boris; Shapiro, Serge A.

2009-03-01

We develop a new model for elastic properties of rocks saturated with heavy oil. The heavy oil is represented by a viscoelastic material, which at low frequencies and/or high temperatures behaves as a Newtonian fluid, and at high frequencies and/or low temperatures as a nearly elastic solid. The bulk and shear moduli of a porous rock saturated with such viscoelastic material are then computed using approximate extended Gassmann equations of Ciz and Shapiro by replacing the elastic moduli of the pore filling material with complex and frequency-dependent moduli of the viscoelastic pore fill. We test the proposed model by comparing its predictions with numerical simulations based on a direct finite-difference solution of equations of dynamic viscoelasticity. The simulations are performed for the reflection coefficient from an interface between a homogeneous fluid and a porous medium. The numerical tests are performed both for an idealized porous medium consisting of alternating solid and viscoelastic layers, and for a more realistic 3-D geometry of the pore space. Both sets of numerical tests show a good agreement between the predictions of the proposed viscoelastic workflow and numerical simulations for relatively high viscosities where viscoelastic effects are important. The results confirm that application of extended Gassmann equations in conjunction with the complex and frequency-dependent moduli of viscoelastic pore filling material, such as heavy oil, provides a good approximation for the elastic moduli of rocks saturated with such material. By construction, this approximation is exactly consistent with the classical Gassmann's equation for sufficiently low frequencies or high temperature when heavy oil behaves like a fluid. For higher frequencies and/or lower temperatures, the predictions are in good agreement with the direct numerical solution of equations of dynamic viscoelasticity on the microscale. This demonstrates that the proposed methodology provides realistic estimates of elastic properties of heavy oil rocks.

Healing of damaged metal by a pulsed high-energy electromagnetic field

NASA Astrophysics Data System (ADS)

Kukudzhanov, K. V.; Levitin, A. L.

2018-04-01

The processes of defect (intergranular micro-cracks) transformation are investigated for metal samples in a high-energy short-pulsed electromagnetic field. This investigation is based on a numerical coupled model of the impact of high-energy electromagnetic field on the pre-damaged thermal elastic-plastic material with defects. The model takes into account the melting and evaporation of the metal and the dependence of its physical and mechanical properties on the temperature. The system of equations is solved numerically by finite element method with an adaptive mesh using the arbitrary Euler–Lagrange method. The calculations show that the welding of the crack and the healing of micro-defects under treatment by short pulses of the current takes place. For the macroscopic description of the healing process, the healing and damage parameters of the material are introduced. The healing of micro-cracks improves the material healing parameter and reduces its damage. The micro-crack shapes practically do not affect the time-dependence of the healing and damage under the treatment by the current pulses. These changes are affected only by the value of the initial damage of the material and the initial length of the micro-crack. The time-dependence of the healing and the damage is practically the same for all different shapes of micro-defects, provided that the initial lengths of micro-cracks and the initial damages are the same for these different shapes of defects.

Asymmetry of light absorption upon propagation of focused femtosecond laser pulses with spatiotemporal coupling through glass materials

NASA Astrophysics Data System (ADS)

Zhukov, Vladimir P.; Bulgakova, Nadezhda M.

2017-05-01

Ultrashort laser pulses are usually described in terms of temporal and spatial dependences of their electric field, assuming that the spatial dependence is separable from time dependence. However, in most situations this assumption is incorrect as generation of ultrashort pulses and their manipulation lead to couplings between spatial and temporal coordinates resulting in various effects such as pulse front tilt and spatial chirp. One of the most intriguing spatiotemporal coupling effects is the so-called "lighthouse effect", the phase front rotation with the beam propagation distance [Akturk et al., Opt. Express 13, 8642 (2005)]. The interaction of spatiotemporally coupled laser pulses with transparent materials have interesting peculiarities, such as the effect of nonreciprocal writing, which can be used to facilitate microfabrication of photonic structures inside optical glasses. In this work, we make an attempt to numerically investigate the influence of the pulse front tilt and the lighthouse effect on the absorption of laser energy inside fused silica glass. The model, which is based on nonlinear Maxwell's equations supplemented by the hydrodynamic equations for free electron plasma, is applied. As three-dimensional solution of such a problem would require huge computational resources, a simplified two-dimensional model has been proposed. It has enabled to gain a qualitative insight into the features of propagation of ultrashort laser pulses with the tilted front in the regimes of volumetric laser modification of transparent materials, including directional asymmetry upon direct laser writing in glass materials.

Multiscale modeling of shock wave localization in porous energetic material

NASA Astrophysics Data System (ADS)

Wood, M. A.; Kittell, D. E.; Yarrington, C. D.; Thompson, A. P.

2018-01-01

Shock wave interactions with defects, such as pores, are known to play a key role in the chemical initiation of energetic materials. The shock response of hexanitrostilbene is studied through a combination of large-scale reactive molecular dynamics and mesoscale hydrodynamic simulations. In order to extend our simulation capability at the mesoscale to include weak shock conditions (<6 GPa), atomistic simulations of pore collapse are used to define a strain-rate-dependent strength model. Comparing these simulation methods allows us to impose physically reasonable constraints on the mesoscale model parameters. In doing so, we have been able to study shock waves interacting with pores as a function of this viscoplastic material response. We find that the pore collapse behavior of weak shocks is characteristically different than that of strong shocks.

Effect of heating rate and kinetic model selection on activation energy of nonisothermal crystallization of amorphous felodipine.

PubMed

Chattoraj, Sayantan; Bhugra, Chandan; Li, Zheng Jane; Sun, Changquan Calvin

2014-12-01

The nonisothermal crystallization kinetics of amorphous materials is routinely analyzed by statistically fitting the crystallization data to kinetic models. In this work, we systematically evaluate how the model-dependent crystallization kinetics is impacted by variations in the heating rate and the selection of the kinetic model, two key factors that can lead to significant differences in the crystallization activation energy (Ea ) of an amorphous material. Using amorphous felodipine, we show that the Ea decreases with increase in the heating rate, irrespective of the kinetic model evaluated in this work. The model that best describes the crystallization phenomenon cannot be identified readily through the statistical fitting approach because several kinetic models yield comparable R(2) . Here, we propose an alternate paired model-fitting model-free (PMFMF) approach for identifying the most suitable kinetic model, where Ea obtained from model-dependent kinetics is compared with those obtained from model-free kinetics. The most suitable kinetic model is identified as the one that yields Ea values comparable with the model-free kinetics. Through this PMFMF approach, nucleation and growth is identified as the main mechanism that controls the crystallization kinetics of felodipine. Using this PMFMF approach, we further demonstrate that crystallization mechanism from amorphous phase varies with heating rate. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Experimental Searches for Exotic Short-Range Forces Using Mechanical Oscillators

NASA Astrophysics Data System (ADS)

Weisman, Evan

Experimental searches for forces beyond gravity and electromagnetism at short range have attracted a great deal of attention over the last decade. In this thesis I describe the test mass development for two new experiments searching for forces below 1 mm. Both modify a previous experiment that used 1 kHz mechanical oscillators as test masses with a stiff conducting shield between them to suppress backgrounds, a promising technique for probing exceptionally small distances at the limit of instrumental thermal noise. To further reduce thermal noise, one experiment will use plated silicon test masses at cryogenic temperatures. The other experiment, which searches for spin-dependent interactions, will apply the spin-polarizable material Dy3Fe5O 12 to the test mass surfaces. This material exhibits orbital compensation of the magnetism associated with its intrinsic electron spin, minimizing magnetic backgrounds. Several plated silicon test mass prototypes were fabricated using photolithography (useful in both experiments), and spin-dependent materials were synthesized with a simple chemical recipe. Both silicon and spin-dependent test masses demonstrate the mechanical and magnetic properties necessary for sensitive experiments. I also describe sensitivity calculations of another proposed spin-dependent experiment, based on a modified search for the electron electric dipole moment, which show unprecedented sensitivity to exotic monopole-dipole forces. Inspired by a finite element model, a study attempting to maximize detector quality factor versus geometry is also presented, with experimental results so far not explained by the model.

Development of EOS data for granular material like sand by using micromodels

NASA Astrophysics Data System (ADS)

Larcher, M.; Gebbeken, N.

2012-08-01

Detonations in soil can occur due to several reasons: e.g. land mines or bombs from the Second World War. Soil is also often used as a protective barrier. In all cases the behaviour of soil loaded by shock waves is important. The simulation of shock wave loaded soil using hydro-codes like AUTODYN needs a failure model as well as an equation of state (EOS). The parameters for these models are often not known. The popular material law for sand from Laine and Sandvik [1], e.g., is a first approximation, but it can only be used for dry sand with a certain grain grading. The parameters porosity, grain grading, and humidity have a big influence on the material behaviour of cohesive soils. Micro-mechanic models can be used to develop the material behaviour of granular materials. EOS data can be obtained by numerically loading micro-mechanically modelled grains and measuring the density under a certain pressure in the finite element model. The influence of porosity, grain grading, and humidity can be easily investigated. EOS data are determined in this work for cohesive soils depending on these parameters.

Thermal mirror spectrometry: An experimental investigation of optical glasses

NASA Astrophysics Data System (ADS)

Zanuto, V. S.; Herculano, L. S.; Baesso, M. L.; Lukasievicz, G. V. B.; Jacinto, C.; Malacarne, L. C.; Astrath, N. G. C.

2013-03-01

The Thermal mirror technique relies on measuring laser-induced nanoscale surface deformation of a solid sample. The amplitude of the effect is directly dependent on the optical absorption and linear thermal expansion coefficients, and the time evolution depends on the heat diffusion properties of the sample. Measurement of transient signals provide direct access to thermal, optical and mechanical properties of the material. The theoretical models describing this effect can be formulated for very low optical absorbing and for absorbing materials. In addition, the theories describing the effect apply for semi-infinite and finite samples. In this work, we apply the Thermal mirror technique to measure physical properties of optical glasses. The semi-infinite and finite models are used to investigate very low optical absorbing glasses. The thickness limit for which the semi-infinite model retrieves the correct values of the thermal diffusivity and amplitude of the transient is obtained using the finite description. This procedure is also employed on absorbing glasses, and the semi-infinite Beer-Lambert law model is used to analyze the experimental data. The experimental data show the need to use the finite model for samples with very low bulk absorption coefficients and thicknesses L < 1.5 mm. This analysis helped to establish limit values of thickness for which the semi-infinite model for absorbing materials could be used, L > 1.0 mm in this case. In addition, the physical properties of the samples were calculated and absolute values derived.

Towards an acoustic model-based poroelastic imaging method: I. Theoretical foundation.

PubMed

Berry, Gearóid P; Bamber, Jeffrey C; Armstrong, Cecil G; Miller, Naomi R; Barbone, Paul E

2006-04-01

The ultrasonic measurement and imaging of tissue elasticity is currently under wide investigation and development as a clinical tool for the assessment of a broad range of diseases, but little account in this field has yet been taken of the fact that soft tissue is porous and contains mobile fluid. The ability to squeeze fluid out of tissue may have implications for conventional elasticity imaging, and may present opportunities for new investigative tools. When a homogeneous, isotropic, fluid-saturated poroelastic material with a linearly elastic solid phase and incompressible solid and fluid constituents is subjected to stress, the behaviour of the induced internal strain field is influenced by three material constants: the Young's modulus (E(s)) and Poisson's ratio (nu(s)) of the solid matrix and the permeability (k) of the solid matrix to the pore fluid. New analytical expressions were derived and used to model the time-dependent behaviour of the strain field inside simulated homogeneous cylindrical samples of such a poroelastic material undergoing sustained unconfined compression. A model-based reconstruction technique was developed to produce images of parameters related to the poroelastic material constants (E(s), nu(s), k) from a comparison of the measured and predicted time-dependent spatially varying radial strain. Tests of the method using simulated noisy strain data showed that it is capable of producing three unique parametric images: an image of the Poisson's ratio of the solid matrix, an image of the axial strain (which was not time-dependent subsequent to the application of the compression) and an image representing the product of the aggregate modulus E(s)(1-nu(s))/(1+nu(s))(1-2nu(s)) of the solid matrix and the permeability of the solid matrix to the pore fluid. The analytical expressions were further used to numerically validate a finite element model and to clarify previous work on poroelastography.

Structural colored liquid membrane without angle dependence.

PubMed

Takeoka, Yukikazu; Honda, Masaki; Seki, Takahiro; Ishii, Masahiko; Nakamura, Hiroshi

2009-05-01

We have demonstrated for the first time that condensed gel particle suspensions in amorphous-like states display structural color with low angle dependence. This finding is in contrast to the common understanding that a periodic dielectric structure is fundamental to photonic band gap (PBG) production, and it validates the theory that a "tight bonding model" that is applicable to semiconductor systems can also be applied to photonic systems. More practically, this structural colored suspension represents a promising new material for the manufacture of reflective full-color displays with a wide viewing angle and nonfading color materials. This liquid system shows promise as a display material because electronic equipment used for display systems can easily be filled with the liquid in the same way that liquid crystals are currently used.

Charging and discharging characteristics of dielectric materials exposed to low- and mid-energy electrons

NASA Technical Reports Server (NTRS)

Coakley, P.; Kitterer, B.; Treadaway, M.

1982-01-01

Charging and discharging characteristics of dielectric samples exposed to 1-25 keV and 25-100 keV electrons in a laboratory environment are reported. The materials examined comprised OSR, Mylar, Kapton, perforated Kapton, and Alphaquartz, serving as models for materials employed on spacecraft in geosynchronous orbit. The tests were performed in a vacuum chamber with electron guns whose beams were rastered over the entire surface of the planar samples. The specimens were examined in low-impedance-grounded, high-impedance-grounded, and isolated configurations. The worst-case and average peak discharge currents were observed to be independent of the incident electron energy, the time-dependent changes in the worst case discharge peak current were independent of the energy, and predischarge surface potentials are negligibly dependent on incident monoenergetic electrons.

Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for Tc

PubMed Central

Jang, Seung Woo; Kotani, Takao; Kino, Hiori; Kuroki, Kazuhiko; Han, Myung Joon

2015-01-01

Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-Tc materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between and is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, Tc. PMID:26206417

Hard tissue as a composite material. I - Bounds on the elastic behavior.

NASA Technical Reports Server (NTRS)

Katz, J. L.

1971-01-01

Recent determination of the elastic moduli of hydroxyapatite by ultrasonic methods permits a re-examination of the Voigt or parallel model of the elastic behavior of bone, as a two phase composite material. It is shown that such a model alone cannot be used to describe the behavior of bone. Correlative data on the elastic moduli of dentin, enamel and various bone samples indicate the existence of a nonlinear dependence of elastic moduli on composition of hard tissue. Several composite models are used to calculate the bounds on the elastic behavior of these tissues. The limitations of these models are described, and experiments to obtain additional critical data are discussed.

A degradation function consistent with Cocks–Ashby porosity kinetics

DOE PAGES

Moore, John A.

2017-10-14

Here, the load carrying capacity of ductile materials degrades as a function of porosity, stress state and strain-rate. The effect of these variables on porosity kinetics is captured by the Cocks–Ashby model; however, the Cocks–Ashby model does not account for material degradation directly. This work uses a yield criteria to form a degradation function that is consistent with Cocks–Ashby porosity kinetics and is a function of porosity, stress state and strain-rate dependence. Approximations of this degradation function for pure hydrostatic stress states are also explored.

Modeling of the self-Q-switching behavior of lasers based on chromium doped active material

NASA Astrophysics Data System (ADS)

Fromager, M.; Ameur, K. Aı̈t

2001-05-01

The aim of this paper is to study the influence of the direct coupling of the average lattice strains to the active ions on the behavior of a gain switching laser based on chromium doped active material. It is found that the resulting nonlinear time-dependent lensing effect combined with an internal aperture behaves as a saturable absorber. A resulting self-Q-switching effect is observed from the calculated output laser pulses. The results of our modeling are in agreement with experimental observations already reported in literature.

A degradation function consistent with Cocks–Ashby porosity kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, John A.

Here, the load carrying capacity of ductile materials degrades as a function of porosity, stress state and strain-rate. The effect of these variables on porosity kinetics is captured by the Cocks–Ashby model; however, the Cocks–Ashby model does not account for material degradation directly. This work uses a yield criteria to form a degradation function that is consistent with Cocks–Ashby porosity kinetics and is a function of porosity, stress state and strain-rate dependence. Approximations of this degradation function for pure hydrostatic stress states are also explored.

Optimizing spectral CT parameters for material classification tasks

NASA Astrophysics Data System (ADS)

Rigie, D. S.; La Rivière, P. J.

2016-06-01

In this work, we propose a framework for optimizing spectral CT imaging parameters and hardware design with regard to material classification tasks. Compared with conventional CT, many more parameters must be considered when designing spectral CT systems and protocols. These choices will impact material classification performance in a non-obvious, task-dependent way with direct implications for radiation dose reduction. In light of this, we adapt Hotelling Observer formalisms typically applied to signal detection tasks to the spectral CT, material-classification problem. The result is a rapidly computable metric that makes it possible to sweep out many system configurations, generating parameter optimization curves (POC’s) that can be used to select optimal settings. The proposed model avoids restrictive assumptions about the basis-material decomposition (e.g. linearity) and incorporates signal uncertainty with a stochastic object model. This technique is demonstrated on dual-kVp and photon-counting systems for two different, clinically motivated material classification tasks (kidney stone classification and plaque removal). We show that the POC’s predicted with the proposed analytic model agree well with those derived from computationally intensive numerical simulation studies.

Optimizing Spectral CT Parameters for Material Classification Tasks

PubMed Central

Rigie, D. S.; La Rivière, P. J.

2017-01-01

In this work, we propose a framework for optimizing spectral CT imaging parameters and hardware design with regard to material classification tasks. Compared with conventional CT, many more parameters must be considered when designing spectral CT systems and protocols. These choices will impact material classification performance in a non-obvious, task-dependent way with direct implications for radiation dose reduction. In light of this, we adapt Hotelling Observer formalisms typically applied to signal detection tasks to the spectral CT, material-classification problem. The result is a rapidly computable metric that makes it possible to sweep out many system configurations, generating parameter optimization curves (POC’s) that can be used to select optimal settings. The proposed model avoids restrictive assumptions about the basis-material decomposition (e.g. linearity) and incorporates signal uncertainty with a stochastic object model. This technique is demonstrated on dual-kVp and photon-counting systems for two different, clinically motivated material classification tasks (kidney stone classification and plaque removal). We show that the POC’s predicted with the proposed analytic model agree well with those derived from computationally intensive numerical simulation studies. PMID:27227430

Investigation on the effects of temperature dependency of material parameters on a thermoelastic loading problem

NASA Astrophysics Data System (ADS)

Kumar, Anil; Mukhopadhyay, Santwana

2017-08-01

The present work is concerned with the investigation of thermoelastic interactions inside a spherical shell with temperature-dependent material parameters. We employ the heat conduction model with a single delay term. The problem is studied by considering three different kinds of time-dependent temperature and stress distributions applied at the inner and outer surfaces of the shell. The problem is formulated by considering that the thermal properties vary as linear function of temperature that yield nonlinear governing equations. The problem is solved by applying Kirchhoff transformation along with integral transform technique. The numerical results of the field variables are shown in the different graphs to study the influence of temperature-dependent thermal parameters in various cases. It has been shown that the temperature-dependent effect is more prominent in case of stress distribution as compared to other fields and also the effect is significant in case of thermal shock applied at the two boundary surfaces of the spherical shell.

Correlation between tunability and anisotropy in magnetoelectric voltage tunable inductor (VTI).

PubMed

Yan, Yongke; Geng, Liwei D; Zhang, Lujie; Gao, Xiangyu; Gollapudi, Sreenivasulu; Song, Hyun-Cheol; Dong, Shuxiang; Sanghadasa, Mohan; Ngo, Khai; Wang, Yu U; Priya, Shashank

2017-11-22

Electric field modulation of magnetic properties via magnetoelectric coupling in composite materials is of fundamental and technological importance for realizing tunable energy efficient electronics. Here we provide foundational analysis on magnetoelectric voltage tunable inductor (VTI) that exhibits extremely large inductance tunability of up to 1150% under moderate electric fields. This field dependence of inductance arises from the change of permeability, which correlates with the stress dependence of magnetic anisotropy. Through combination of analytical models that were validated by experimental results, comprehensive understanding of various anisotropies on the tunability of VTI is provided. Results indicate that inclusion of magnetic materials with low magnetocrystalline anisotropy is one of the most effective ways to achieve high VTI tunability. This study opens pathway towards design of tunable circuit components that exhibit field-dependent electronic behavior.

Finite element simulation of location- and time-dependent mechanical behavior of chondrocytes in unconfined compression tests.

PubMed

Wu, J Z; Herzog, W

2000-03-01

Experimental evidence suggests that cells are extremely sensitive to their mechanical environment and react directly to mechanical stimuli. At present, it is technically difficult to measure fluid pressure, stress, and strain in cells, and to determine the time-dependent deformation of chondrocytes. For this reason, there are no data in the published literature that show the dynamic behavior of chondrocytes in articular cartilage. Similarly, the dynamic chondrocyte mechanics have not been calculated using theoretical models that account for the influence of cell volumetric fraction on cartilage mechanical properties. In the present investigation, the location- and time-dependent stress-strain state and fluid pressure distribution in chondrocytes in unconfined compression tests were simulated numerically using a finite element method. The technique involved two basic steps: first, cartilage was approximated as a macroscopically homogenized material and the mechanical behavior of cartilage was obtained using the homogenized model; second, the solution of the time-dependent displacements and fluid pressure fields of the homogenized model was used as the time-dependent boundary conditions for a microscopic submodel to obtain average location- and time-dependent mechanical behavior of cells. Cells and extracellular matrix were assumed to be biphasic materials composed of a fluid phase and a hyperelastic solid phase. The hydraulic permeability was assumed to be deformation dependent and the analysis was performed using a finite deformation approach. Numerical tests were made using configurations similar to those of experiments described in the literature. Our simulations show that the mechanical response of chondrocytes to cartilage loading depends on time, fluid boundary conditions, and the locations of the cells within the specimen. The present results are the first to suggest that chondrocyte deformation in a stress-relaxation type test may exceed the imposed system deformation by a factor of 3-4, that chondrocyte deformations are highly dynamic and do not reach a steady state within about 20 min of steady compression (in an unconfined test), and that cell deformations are very much location dependent.

Analytical thermal model for end-pumped solid-state lasers

NASA Astrophysics Data System (ADS)

Cini, L.; Mackenzie, J. I.

2017-12-01

Fundamentally power-limited by thermal effects, the design challenge for end-pumped "bulk" solid-state lasers depends upon knowledge of the temperature gradients within the gain medium. We have developed analytical expressions that can be used to model the temperature distribution and thermal-lens power in end-pumped solid-state lasers. Enabled by the inclusion of a temperature-dependent thermal conductivity, applicable from cryogenic to elevated temperatures, typical pumping distributions are explored and the results compared with accepted models. Key insights are gained through these analytical expressions, such as the dependence of the peak temperature rise in function of the boundary thermal conductance to the heat sink. Our generalized expressions provide simple and time-efficient tools for parametric optimization of the heat distribution in the gain medium based upon the material and pumping constraints.

Modified Continuum Mechanics Modeling on Size-Dependent Properties of Piezoelectric Nanomaterials: A Review

PubMed Central

Yan, Zhi; Jiang, Liying

2017-01-01

Piezoelectric nanomaterials (PNs) are attractive for applications including sensing, actuating, energy harvesting, among others in nano-electro-mechanical-systems (NEMS) because of their excellent electromechanical coupling, mechanical and physical properties. However, the properties of PNs do not coincide with their bulk counterparts and depend on the particular size. A large amount of efforts have been devoted to studying the size-dependent properties of PNs by using experimental characterization, atomistic simulation and continuum mechanics modeling with the consideration of the scale features of the nanomaterials. This paper reviews the recent progresses and achievements in the research on the continuum mechanics modeling of the size-dependent mechanical and physical properties of PNs. We start from the fundamentals of the modified continuum mechanics models for PNs, including the theories of surface piezoelectricity, flexoelectricity and non-local piezoelectricity, with the introduction of the modified piezoelectric beam and plate models particularly for nanostructured piezoelectric materials with certain configurations. Then, we give a review on the investigation of the size-dependent properties of PNs by using the modified continuum mechanics models, such as the electromechanical coupling, bending, vibration, buckling, wave propagation and dynamic characteristics. Finally, analytical modeling and analysis of nanoscale actuators and energy harvesters based on piezoelectric nanostructures are presented. PMID:28336861

Modified Continuum Mechanics Modeling on Size-Dependent Properties of Piezoelectric Nanomaterials: A Review.

PubMed

Yan, Zhi; Jiang, Liying

2017-01-26

Piezoelectric nanomaterials (PNs) are attractive for applications including sensing, actuating, energy harvesting, among others in nano-electro-mechanical-systems (NEMS) because of their excellent electromechanical coupling, mechanical and physical properties. However, the properties of PNs do not coincide with their bulk counterparts and depend on the particular size. A large amount of efforts have been devoted to studying the size-dependent properties of PNs by using experimental characterization, atomistic simulation and continuum mechanics modeling with the consideration of the scale features of the nanomaterials. This paper reviews the recent progresses and achievements in the research on the continuum mechanics modeling of the size-dependent mechanical and physical properties of PNs. We start from the fundamentals of the modified continuum mechanics models for PNs, including the theories of surface piezoelectricity, flexoelectricity and non-local piezoelectricity, with the introduction of the modified piezoelectric beam and plate models particularly for nanostructured piezoelectric materials with certain configurations. Then, we give a review on the investigation of the size-dependent properties of PNs by using the modified continuum mechanics models, such as the electromechanical coupling, bending, vibration, buckling, wave propagation and dynamic characteristics. Finally, analytical modeling and analysis of nanoscale actuators and energy harvesters based on piezoelectric nanostructures are presented.

Rate-dependent elastic hysteresis during the peeling of pressure sensitive adhesives.

PubMed

Villey, Richard; Creton, Costantino; Cortet, Pierre-Philippe; Dalbe, Marie-Julie; Jet, Thomas; Saintyves, Baudouin; Santucci, Stéphane; Vanel, Loïc; Yarusso, David J; Ciccotti, Matteo

2015-05-07

The modelling of the adherence energy during peeling of Pressure Sensitive Adhesives (PSA) has received much attention since the 1950's, uncovering several factors that aim at explaining their high adherence on most substrates, such as the softness and strong viscoelastic behaviour of the adhesive, the low thickness of the adhesive layer and its confinement by a rigid backing. The more recent investigation of adhesives by probe-tack methods also revealed the importance of cavitation and stringing mechanisms during debonding, underlining the influence of large deformations and of the related non-linear response of the material, which also intervenes during peeling. Although a global modelling of the complex coupling of all these ingredients remains a formidable issue, we report here some key experiments and modelling arguments that should constitute an important step forward. We first measure a non-trivial dependence of the adherence energy on the loading geometry, namely through the influence of the peeling angle, which is found to be separable from the peeling velocity dependence. This is the first time to our knowledge that such adherence energy dependence on the peeling angle is systematically investigated and unambiguously demonstrated. Secondly, we reveal an independent strong influence of the large strain rheology of the adhesives on the adherence energy. We complete both measurements with a microscopic investigation of the debonding region. We discuss existing modellings in light of these measurements and of recent soft material mechanics arguments, to show that the adherence energy during peeling of PSA should not be associated to the propagation of an interfacial stress singularity. The relevant deformation mechanisms are actually located over the whole adhesive thickness, and the adherence energy during peeling of PSA should rather be associated to the energy loss by viscous friction and by rate-dependent elastic hysteresis.

Monitoring of biofilm-associated Legionella pneumophila on different substrata in model cooling tower system.

PubMed

Türetgen, Irfan; Cotuk, Aysin

2007-02-01

Cooling towers have the potential to develop infectious concentrations of Legionella pneumophila. Legionella counts increases where biofilm and warm water temperatures are present. In this study, biofilm associated L. pneumophila and heterotrophic bacteria were compared in terms of material dependence. Model cooling tower system was experimentally infected by L. pneumophila standard strain and monthly monitored. Different materials were tested for a period of 180 days. The lowest L. pneumophila and heterotrophic plate counts were measured on plastic polymers, whereas L. pneumophila and heterotrophic bacteria were accumulated rapidly on galvanized steel surfaces. It can be concluded that selection of plastic polymers, as a manufacturing material, are suitable for recirculating water systems.

Preliminary studies on SMA embedded wind turbine blades for passive control of vibration

NASA Astrophysics Data System (ADS)

Haghdoust, P.; Cinquemani, S.; Lo Conte, A.

2018-03-01

Wind turbine blades are being bigger and bigger, thus requiring lightweight structures that are more flexible and thus more sensitive to dynamic excitations and to vibration problems. This paper investigates a preliminary architecture of large wind turbine blades, embedding thin sheets of SMA to passively improve their total damping. A phenomenological material model is used for simulation of strain-dependent damping in SMA materials and an user defined material model was developed for this purpose. The response of different architectures of SMA embedded blades have been investigated in the time domain to find an optimal solution in which the less amount of SMA is used while the damping of the system is maximized

High-rise construction in the Russian economy: modeling of management decisions

NASA Astrophysics Data System (ADS)

Miroshnikova, Tatyana; Taskaeva, Natalia

2018-03-01

The growth in the building industry, particularly in residential high-rise construction, is having considerable influence on the country's economic development. The scientific hypothesis of the research is that the execution of town-planning programs of high-rise construction depends to a large extent on the management of the provision of material resources for the construction of a millionth city, while the balance model is the most important tool for establishing and determining the ratio between supply and demand for material resources. In order to improve the efficiency of high-rise building management, it is proposed to develop a methodology for managing the provision of construction of large cities with material resources.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mensah, P.F.; Stubblefield, M.A.; Pang, S.S.

Thermal characterization of a prepreg fabric used as the bonding material to join composite pipes has been modeled and solved using finite difference modeling (FDM) numerical analysis technique for one dimensional heat transfer through the material. Temperature distributions within the composite pipe joint are predicted. The prepreg material has temperature dependent thermal properties. Thus the resulting boundary value equations are non linear and analytical solutions cannot be obtained. This characterization is pertinent in determining the temperature profile in the prepreg layer during the manufacturing process for optimization purposes. In addition, in order to assess the effects of induced thermal stressmore » in the joint, the temperature profile is needed. The methodology employed in this analysis compares favorably with data from experimentation.« less

On the correct choice of equivalent circuit for fitting bulk impedance data of ionic/electronic conductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hernández, Miguel A.; Masó, Nahum; West, Anthony R.

Bulk conductivity data of ionically and electronically conducting solid electrolytes and electronic ceramics invariably show a frequency dependence that cannot be modelled by a single-valued resistor. To model this, common practice is to add a constant phase element (CPE) in parallel with the bulk resistance. To fit experimental data on a wide variety of materials, however, it is also essential to include the limiting, high frequency permittivity of the material in the equivalent circuit. Failure to do so can lead to incorrect values for the sample resistance and CPE parameters and to an inappropriate circuit for materials that are electricallymore » heterogeneous.« less

Analysis of the Temperature and Strain-Rate Dependences of Strain Hardening

NASA Astrophysics Data System (ADS)

Kreyca, Johannes; Kozeschnik, Ernst

2018-01-01

A classical constitutive modeling-based Ansatz for the impact of thermal activation on the stress-strain response of metallic materials is compared with the state parameter-based Kocks-Mecking model. The predicted functional dependencies suggest that, in the first approach, only the dislocation storage mechanism is a thermally activated process, whereas, in the second approach, only the mechanism of dynamic recovery is. In contradiction to each of these individual approaches, our analysis and comparison with experimental evidence shows that thermal activation contributes both to dislocation generation and annihilation.

Material and shape optimization for multi-layered vocal fold models using transient loadings.

PubMed

Schmidt, Bastian; Leugering, Günter; Stingl, Michael; Hüttner, Björn; Agaimy, Abbas; Döllinger, Michael

2013-08-01

Commonly applied models to study vocal fold vibrations in combination with air flow distributions are self-sustained physical models of the larynx consisting of artificial silicone vocal folds. Choosing appropriate mechanical parameters and layer geometries for these vocal fold models while considering simplifications due to manufacturing restrictions is difficult but crucial for achieving realistic behavior. In earlier work by Schmidt et al. [J. Acoust. Soc. Am. 129, 2168-2180 (2011)], the authors presented an approach in which material parameters of a static numerical vocal fold model were optimized to achieve an agreement of the displacement field with data retrieved from hemilarynx experiments. This method is now generalized to a fully transient setting. Moreover in addition to the material parameters, the extended approach is capable of finding optimized layer geometries. Depending on chosen material restriction, significant modifications of the reference geometry are predicted. The additional flexibility in the design space leads to a significantly more realistic deformation behavior. At the same time, the predicted biomechanical and geometrical results are still feasible for manufacturing physical vocal fold models consisting of several silicone layers. As a consequence, the proposed combined experimental and numerical method is suited to guide the construction of physical vocal fold models.

Screening of pollution control and clean-up materials for river chemical spills using the multiple case-based reasoning method with a difference-driven revision strategy.

PubMed

Liu, Rentao; Jiang, Jiping; Guo, Liang; Shi, Bin; Liu, Jie; Du, Zhaolin; Wang, Peng

2016-06-01

In-depth filtering of emergency disposal technology (EDT) and materials has been required in the process of environmental pollution emergency disposal. However, an urgent problem that must be solved is how to quickly and accurately select the most appropriate materials for treating a pollution event from the existing spill control and clean-up materials (SCCM). To meet this need, the following objectives were addressed in this study. First, the material base and a case base for environment pollution emergency disposal were established to build a foundation and provide material for SCCM screening. Second, the multiple case-based reasoning model method with a difference-driven revision strategy (DDRS-MCBR) was applied to improve the original dual case-based reasoning model method system, and screening and decision-making was performed for SCCM using this model. Third, an actual environmental pollution accident from 2012 was used as a case study to verify the material base, case base, and screening model. The results demonstrated that the DDRS-MCBR method was fast, efficient, and practical. The DDRS-MCBR method changes the passive situation in which the choice of SCCM screening depends only on the subjective experience of the decision maker and offers a new approach to screening SCCM.

Characterization of Filters Loaded With Reactor Strontium Carbonate - 13203

DOE Office of Scientific and Technical Information (OSTI.GOV)

Josephson, Walter S.; Steen, Franciska H.

A collection of three highly radioactive filters containing reactor strontium carbonate were being prepared for disposal. All three filters were approximately characterized at the time of manufacture by gravimetric methods. The first filter had been partially emptied, and the quantity of residual activity was uncertain. Dose rate to activity modeling using the Monte-Carlo N Particle (MCNP) code was selected to confirm the gravimetric characterization of the full filters, and to fully characterize the partially emptied filter. Although dose rate to activity modeling using MCNP is a common technique, it is not often used for Bremsstrahlung-dominant materials such as reactor strontium.more » As a result, different MCNP modeling options were compared to determine the optimum approach. This comparison indicated that the accuracy of the results were heavily dependent on the MCNP modeling details and the location of the dose rate measurement point. The optimum model utilized a photon spectrum generated by the Oak Ridge Isotope Generation and Depletion (ORIGEN) code and dose rates measured at 30 cm. Results from the optimum model agreed with the gravimetric estimates within 15%. It was demonstrated that dose rate to activity modeling can be successful for Bremsstrahlung-dominant radioactive materials. However, the degree of success is heavily dependent on the choice of modeling techniques. (authors)« less

Selection Metric for Photovoltaic Materials Screening Based on Detailed-Balance Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blank, Beatrix; Kirchartz, Thomas; Lany, Stephan

The success of recently discovered absorber materials for photovoltaic applications has been generating increasing interest in systematic materials screening over the last years. However, the key for a successful materials screening is a suitable selection metric that goes beyond the Shockley-Queisser theory that determines the thermodynamic efficiency limit of an absorber material solely by its band-gap energy. Here, we develop a selection metric to quantify the potential photovoltaic efficiency of a material. Our approach is compatible with detailed balance and applicable in computational and experimental materials screening. We use the complex refractive index to calculate radiative and nonradiative efficiency limitsmore » and the respective optimal thickness in the high mobility limit. We also compare our model to the widely applied selection metric by Yu and Zunger [Phys. Rev. Lett. 108, 068701 (2012)] with respect to their dependence on thickness, internal luminescence quantum efficiency, and refractive index. Finally, the model is applied to complex refractive indices calculated via electronic structure theory.« less

Selection Metric for Photovoltaic Materials Screening Based on Detailed-Balance Analysis

DOE PAGES

Blank, Beatrix; Kirchartz, Thomas; Lany, Stephan; ...

2017-08-31

The success of recently discovered absorber materials for photovoltaic applications has been generating increasing interest in systematic materials screening over the last years. However, the key for a successful materials screening is a suitable selection metric that goes beyond the Shockley-Queisser theory that determines the thermodynamic efficiency limit of an absorber material solely by its band-gap energy. Here, we develop a selection metric to quantify the potential photovoltaic efficiency of a material. Our approach is compatible with detailed balance and applicable in computational and experimental materials screening. We use the complex refractive index to calculate radiative and nonradiative efficiency limitsmore » and the respective optimal thickness in the high mobility limit. We also compare our model to the widely applied selection metric by Yu and Zunger [Phys. Rev. Lett. 108, 068701 (2012)] with respect to their dependence on thickness, internal luminescence quantum efficiency, and refractive index. Finally, the model is applied to complex refractive indices calculated via electronic structure theory.« less

Lattice Modeling of Early-Age Behavior of Structural Concrete.

PubMed

Pan, Yaming; Prado, Armando; Porras, Rocío; Hafez, Omar M; Bolander, John E

2017-02-25

The susceptibility of structural concrete to early-age cracking depends on material composition, methods of processing, structural boundary conditions, and a variety of environmental factors. Computational modeling offers a means for identifying primary factors and strategies for reducing cracking potential. Herein, lattice models are shown to be adept at simulating the thermal-hygral-mechanical phenomena that influence early-age cracking. In particular, this paper presents a lattice-based approach that utilizes a model of cementitious materials hydration to control the development of concrete properties, including stiffness, strength, and creep resistance. The approach is validated and used to simulate early-age cracking in concrete bridge decks. Structural configuration plays a key role in determining the magnitude and distribution of stresses caused by volume instabilities of the concrete material. Under restrained conditions, both thermal and hygral effects are found to be primary contributors to cracking potential.

Experimental study and modeling of atomic-scale friction in zigzag and armchair lattice orientations of MoS2.

PubMed

Li, Meng; Shi, Jialin; Liu, Lianqing; Yu, Peng; Xi, Ning; Wang, Yuechao

2016-01-01

Physical properties of two-dimensional materials, such as graphene, black phosphorus, molybdenum disulfide (MoS 2 ) and tungsten disulfide, exhibit significant dependence on their lattice orientations, especially for zigzag and armchair lattice orientations. Understanding of the atomic probe motion on surfaces with different orientations helps in the study of anisotropic materials. Unfortunately, there is no comprehensive model that can describe the probe motion mechanism. In this paper, we report a tribological study of MoS 2 in zigzag and armchair orientations. We observed a characteristic power spectrum and friction force values. To explain our results, we developed a modified, two-dimensional, stick-slip Tomlinson model that allows simulation of the probe motion on MoS 2 surfaces by combining the motion in the Mo layer and S layer. Our model fits well with the experimental data and provides a theoretical basis for tribological studies of two-dimensional materials.

Lattice Modeling of Early-Age Behavior of Structural Concrete

PubMed Central

Pan, Yaming; Prado, Armando; Porras, Rocío; Hafez, Omar M.; Bolander, John E.

2017-01-01

The susceptibility of structural concrete to early-age cracking depends on material composition, methods of processing, structural boundary conditions, and a variety of environmental factors. Computational modeling offers a means for identifying primary factors and strategies for reducing cracking potential. Herein, lattice models are shown to be adept at simulating the thermal-hygral-mechanical phenomena that influence early-age cracking. In particular, this paper presents a lattice-based approach that utilizes a model of cementitious materials hydration to control the development of concrete properties, including stiffness, strength, and creep resistance. The approach is validated and used to simulate early-age cracking in concrete bridge decks. Structural configuration plays a key role in determining the magnitude and distribution of stresses caused by volume instabilities of the concrete material. Under restrained conditions, both thermal and hygral effects are found to be primary contributors to cracking potential. PMID:28772590

Application of an Uncoupled Elastic-plastic-creep Constitutive Model to Metals at High Temperature

NASA Technical Reports Server (NTRS)

Haisler, W. E.

1983-01-01

A uniaxial, uncoupled constitutive model to predict the response of thermal and rate dependent elastic-plastic material behavior is presented. The model is based on an incremental classicial plasticity theory extended to account for thermal, creep, and transient temperature conditions. Revisions to he combined hardening rule of the theory allow for better representation of cyclic phenomenon including the high rate of strain hardening upon cyclic reyield and cyclic saturation. An alternative approach is taken to model the rate dependent inelastic deformation which utilizes hysteresis loops and stress relaxation test data at various temperatures. The model is evaluated and compared to experiments which involve various thermal and mechanical load histories on 5086 aluminum alloy, 304 stainless steel and Hastelloy-X.

Modeling space-charge-limited current transport in spatially disordered organic semiconductors

NASA Astrophysics Data System (ADS)

Zubair, M.; Ang, Y. S.; Ang, L. K.

Charge transport properties in organic semiconductors are determined by two kinds of microscopic disorder, namely energetic disorder and the spatial disorder. It is demonstrated that the thickness dependence of space-charge limited current (SCLC) can be related to spatial disorder within the framework of fractional-dimensional space. We present a modified Mott-Gurney (MG) law in different regimes to model the varying thickness dependence in such spatially disordered materials. We analyze multiple experimental results from literature where thickness dependence of SCLC shows that the classical MG law might lead to less accurate extraction of mobility parameter, whereas the modified MG law would be a better choice in such devices. Experimental SCLC measurement in a PPV-based structure was previously modeled using a carrier-density dependent model which contradicts with a recent experiment that confirms a carrier-density independent mobility originating from the disordered morphology of the polymer. Here, this is reconciled by the modified MG law which intrinsically takes into account the effect of spatial disorder without the need of using a carrier-density dependent model. This work is supported by Singapore Temasek Laboratories (TL) Seed Grant (IGDS S16 02 05 1).

A large coaxial reflection cell for broadband dielectric characterization of coarse-grained materials

NASA Astrophysics Data System (ADS)

Bore, Thierry; Bhuyan, Habibullah; Bittner, Tilman; Murgan, Vignesh; Wagner, Norman; Scheuermann, Alexander

2018-01-01

Knowledge of the frequency-dependent electromagnetic properties of coarse-grained materials is imperative for the successful application of high frequency electromagnetic measurement techniques for near and subsurface monitoring. This paper reports the design, calibration and application of a novel one-port large coaxial cell for broadband complex permittivity measurements of civil engineering materials. It was designed to allow the characterization of heterogeneous material with large aggregate dimensions (up to 28 mm) over a frequency range from 1 MHz-860 MHz. In the first step, the system parameters were calibrated using the measured scattering function in a perfectly known dielectric material in an optimization scheme. In the second step, the method was validated with measurements made on standard liquids. Then the performance of the cell was evaluated on a compacted coarse-grained soil. The dielectric spectra were obtained by means of fitting the measured scattering function using a transverse electromagnetic mode propagation model considering the frequency-dependent complex permittivity. Two scenarios were systematically analyzed and compared. The first scenario consisted of a broadband generalized dielectric relaxation model with two Cole-Cole type relaxation processes related to the interaction of the aqueous phase and the solid phase, a constant high frequency contribution as well as an apparent direct current conductivity term. The second scenario relied on a three-phase theoretical mixture equation which was used in a forward approach in order to calibrate the model. Both scenarios provide almost identical results for the broadband effective complex relative permittivity. The combination of both scenarios suggests the simultaneous estimation of water content, density, bulk and pore water conductivity for road base materials for in situ applications.

Stability of an arch type shock absorber made of a rubber-like material

NASA Astrophysics Data System (ADS)

Kabrits, Sergey A.; Kolpak, Eugeny P.

2018-05-01

The paper considers the stability problem of an arch shock absorber made of a rubber-like material. As a model, the nonlinear theory of thin shells from elastomers K.F. Chernykh is used. The case of symmetrical and asymmetrical deformation of an arch shock absorber under symmetrical compression is investigated. The possibility of asymmetric bifurcation is evaluated depending on the boundary conditions.

Paradigm Shift in Data Content and Informatics Infrastructure Required for Generalized Constitutive Modeling of Materials Behavior

NASA Technical Reports Server (NTRS)

Arnold, S. M.

2006-01-01

Materials property information such as composition and thermophysical/mechanical properties abound in the literature. Oftentimes, however, the corresponding response curves from which these data are determined are missing or at the very least difficult to retrieve. Further, the paradigm for collecting materials property information has historically centered on (1) properties for materials comparison/selection purposes and (2) input requirements for conventional design/analysis methods. However, just as not all materials are alike or equal, neither are all constitutive models (and thus design/ analysis methods) equal; each model typically has its own specific and often unique required materials parameters, some directly measurable and others indirectly measurable. Therefore, the type and extent of materials information routinely collected is not always sufficient to meet the current, much less future, needs of the materials modeling community. Informatics has been defined as the science concerned with gathering, manipulating, storing, retrieving, and classifying recorded information. A key aspect of informatics is its focus on understanding problems and applying information technology as needed to address those problems. The primary objective of this article is to highlight the need for a paradigm shift in materials data collection, analysis, and dissemination so as to maximize the impact on both practitioners and researchers. Our hope is to identify and articulate what constitutes "sufficient" data content (i.e., quality and quantity) for developing, characterizing, and validating sophisticated nonlinear time- and history-dependent (hereditary) constitutive models. Likewise, the informatics infrastructure required for handling the potentially massive amounts of materials data will be discussed.

Influence of the pressure dependent coefficient of friction on deep drawing springback predictions

NASA Astrophysics Data System (ADS)

Gil, Imanol; Galdos, Lander; Mendiguren, Joseba; Mugarra, Endika; Sáenz de Argandoña, Eneko

2016-10-01

This research studies the effect of considering an advanced variable friction coefficient on the springback prediction of stamping processes. Traditional constant coefficient of friction considerations are being replaced by more advanced friction coefficient definitions. The aim of this work is to show the influence of defining a pressure dependent friction coefficient on numerical springback predictions of a DX54D mild steel, a HSLA380 and a DP780 high strength steel. The pressure dependent friction model of each material was fitted to the experimental data obtained by Strip Drawing tests. Then, these friction models were implemented in a numerical simulation of a drawing process of an industrial automotive part. The results showed important differences between defining a pressure dependent friction coefficient or a constant friction coefficient.

Implementation of Fiber Substructuring Into Strain Rate Dependent Micromechanics Analysis of Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.

2001-01-01

A research program is in progress to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to impact loads. Previously, strain rate dependent inelastic constitutive equations developed to model the polymer matrix were incorporated into a mechanics of materials based micromechanics method. In the current work, the micromechanics method is revised such that the composite unit cell is divided into a number of slices. Micromechanics equations are then developed for each slice, with laminate theory applied to determine the elastic properties, effective stresses and effective inelastic strains for the unit cell. Verification studies are conducted using two representative polymer matrix composites with a nonlinear, strain rate dependent deformation response. The computed results compare well to experimentally obtained values.

The effect of loading time on flexible pavement dynamic response: a finite element analysis

NASA Astrophysics Data System (ADS)

Yin, Hao; Solaimanian, Mansour; Kumar, Tanmay; Stoffels, Shelley

2007-12-01

Dynamic response of asphalt concrete (AC) pavements under moving load is a key component for accurate prediction of flexible pavement performance. The time and temperature dependency of AC materials calls for utilizing advanced material characterization and mechanistic theories, such as viscoelasticity and stress/strain analysis. In layered elastic analysis, as implemented in the new Mechanistic-Empirical Pavement Design Guide (MEPDG), the time dependency is accounted for by calculating the loading times at different AC layer depths. In this study, the time effect on pavement response was evaluated by means of the concept of “pseudo temperature.” With the pavement temperature measured from instrumented thermocouples, the time and temperature dependency of AC materials was integrated into one single factor, termed “effective temperature.” Via this effective temperature, pavement responses under a transient load were predicted through finite element analysis. In the finite element model, viscoelastic behavior of AC materials was characterized through relaxation moduli, while the layers with unbound granular material were assumed to be in an elastic mode. The analysis was conducted for two different AC mixtures in a simplified flexible pavement structure at two different seasons. Finite element analysis results reveal that the loading time has a more pronounced impact on pavement response in the summer for both asphalt types. The results indicate that for reasonable prediction of dynamic response in flexible pavements, the effect of the depth-dependent loading time on pavement temperature should be considered.

Laser-Induced Thermal-Mechanical Damage Characteristics of Cleartran Multispectral Zinc Sulfide with Temperature-Dependent Properties

NASA Astrophysics Data System (ADS)

Peng, Yajing; Jiang, Yanxue; Yang, Yanqiang

2015-01-01

Laser-induced thermal-mechanical damage characteristics of window materials are the focus problems in laser weapon and anti-radiation reinforcement technology. Thermal-mechanical effects and damage characteristics are investigated for cleartran multispectral zinc sulfide (ZnS) thin film window materials irradiated by continuous laser using three-dimensional (3D) thermal-mechanical model. Some temperature-dependent parameters are introduced into the model. The temporal-spatial distributions of temperature and thermal stress are exhibited. The damage mechanism is analyzed. The influences of temperature effect of material parameters and laser intensity on the development of thermal stress and the damage characteristics are examined. The results show, the von Mises equivalent stress along the thickness direction is fluctuant, which originates from the transformation of principal stresses from compressive stress to tensile stress with the increase of depth from irradiated surface. The damage originates from the thermal stress but not the melting. The thermal stress is increased and the damage is accelerated by introducing the temperature effect of parameters or the increasing laser intensity.

A New Cellular Automaton Method Coupled with a Rate-dependent (CARD) Model for Predicting Dynamic Recrystallization Behavior

NASA Astrophysics Data System (ADS)

Azarbarmas, M.; Aghaie-Khafri, M.

2018-03-01

A comprehensive cellular automaton (CA) model should be coupled with a rate-dependent (RD) model for analyzing the RD deformation of alloys at high temperatures. In the present study, a new CA technique coupled with an RD model—namely, CARD—was developed. The proposed CARD model was used to simulate the dynamic recrystallization phenomenon during the hot deformation of the Inconel 718 superalloy. This model is capable of calculating the mean grain size and volume fraction of dynamic recrystallized grains, and estimating the phenomenological flow behavior of the material. In the presented model, an actual orientation definition comprising three Euler angles was used by implementing the electron backscatter diffraction data. For calculating the lattice rotation of grains, it was assumed that all slip systems of grains are active during the high-temperature deformation because of the intrinsic rate dependency of the procedure. Moreover, the morphological changes in grains were obtained using a topological module.

Predicting grid-size-dependent fracture strains of DP980 with a microstructure-based post-necking model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, G.; Hu, X. H.; Choi, K. S.

Ductile fracture is a local phenomenon, and it is well established that fracture strain levels depend on both stress triaxiality and the resolution (grid size) of strain measurements. Two-dimensional plane strain post-necking models with different representative volume element (RVE) sizes are used to predict the size-dependent fracture strain of a commercial dual-phase steel, DP980. The models are generated from the actual microstructures, and the individual phase flow properties and literature-based individual phase damage parameters for the Johnson-Cook model are used for ferrite and martensite. A monotonic relationship is predicted: the smaller the model size, the higher the fracture strain. Thus,more » a general framework is developed to quantify the size-dependent fracture strains for multiphase materials. In addition to the RVE sizes, the influences of intrinsic microstructure features, i.e., the flow curve and fracture strains of the two constituent phases, on the predicted fracture strains also are examined. Application of the derived fracture strain versus RVE size relationship is demonstrated with large clearance trimming simulations with different element sizes.« less

Microscopic Scale Simulation of the Ablation of Fibrous Materials

NASA Technical Reports Server (NTRS)

Lachaud, Jean Romain; Mansour, Nagi N.

2010-01-01

Ablation by oxidation of carbon-fiber preforms impregnated in carbonized phenolic matrix is modeled at microscopic scale. Direct numerical simulations show that the carbonized phenolic matrix ablates in volume leaving the carbon fibers exposed. This is due to the fact that the reactivity of carbonized phenolic is higher than the reactivity of carbon fibers. After the matrix is depleted, the fibers ablate showing progressive reduction of their diameter. The overall material recession occurs when the fibers are consumed. Two materials with the same carbon-fiber preform, density and chemical composition, but with different matrix distributions are studied. These studies show that at moderate temperatures (< 1000 K) the microstructure of the material influences its recession rate; a fact that is not captured by current models that are based on chemical composition only. Surprisingly, the response of these impregnated-fiber materials is weakly dependent on the microstructure at very high temperatures (e.g., Stardust peak heating conditions: 3360K).

FY17 Status Report on the Micromechanical Finite Element Modeling of Creep Fracture of Grade 91 Steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Messner, M. C.; Truster, T. J.; Cochran, K. B.

Advanced reactors designed to operate at higher temperatures than current light water reactors require structural materials with high creep strength and creep-fatigue resistance to achieve long design lives. Grade 91 is a ferritic/martensitic steel designed for long creep life at elevated temperatures. It has been selected as a candidate material for sodium fast reactor intermediate heat exchangers and other advanced reactor structural components. This report focuses on the creep deformation and rupture life of Grade 91 steel. The time required to complete an experiment limits the availability of long-life creep data for Grade 91 and other structural materials. Design methodsmore » often extrapolate the available shorter-term experimental data to longer design lives. However, extrapolation methods tacitly assume the underlying material mechanisms causing creep for long-life/low-stress conditions are the same as the mechanisms controlling creep in the short-life/high-stress experiments. A change in mechanism for long-term creep could cause design methods based on extrapolation to be non-conservative. The goal for physically-based microstructural models is to accurately predict material response in experimentally-inaccessible regions of design space. An accurate physically-based model for creep represents all the material mechanisms that contribute to creep deformation and damage and predicts the relative influence of each mechanism, which changes with loading conditions. Ideally, the individual mechanism models adhere to the material physics and not an empirical calibration to experimental data and so the model remains predictive for a wider range of loading conditions. This report describes such a physically-based microstructural model for Grade 91 at 600° C. The model explicitly represents competing dislocation and diffusional mechanisms in both the grain bulk and grain boundaries. The model accurately recovers the available experimental creep curves at higher stresses and the limited experimental data at lower stresses, predominately primary creep rates. The current model considers only one temperature. However, because the model parameters are, for the most part, directly related to the physics of fundamental material processes, the temperature dependence of the properties are known. Therefore, temperature dependence can be included in the model with limited additional effort. The model predicts a mechanism shift for 600° C at approximately 100 MPa from a dislocation- dominated regime at higher stress to a diffusion-dominated regime at lower stress. This mechanism shift impacts the creep life, notch-sensitivity, and, likely, creep ductility of Grade 91. In particular, the model predicts existing extrapolation methods for creep life may be non-conservative when attempting to extrapolate data for higher stress creep tests to low stress, long-life conditions. Furthermore, the model predicts a transition from notchstrengthening behavior at high stress to notch-weakening behavior at lower stresses. Both behaviors may affect the conservatism of existing design methods.« less

High-Bandgap Silicon Nanocrystal Solar Cells: Device Fabrication, Characterization, and Modeling

NASA Astrophysics Data System (ADS)

Löper, Philipp; Canino, Mariaconcetta; Schnabel, Manuel; Summonte, Caterina; Janz, Stefan; Zacharias, Margit

Silicon nanocrystals (Si NCs) embedded in Si-based dielectrics provide a Si-based high-bandgap material (1.7 eV) and enable the construction of crystalline Si tandem solar cells. This chapter focusses on Si NC embedded in silicon carbide, because silicon carbide offers electrical conduction through the matrix material. The material development is reviewed, and optical modeling is introduced as a powerful method to monitor the four material components, amorphous and crystalline silicon as well as amorphous and crystalline silicon carbide. In the second part of this chapter, recent device developments for the photovoltaic characterization of Si NCs are examined. The controlled growth of Si NCs involves high-temperature annealing which deteriorates the properties of any previously established selective contacts. A membrane-based device is presented to overcome these limitations. In this approach, the formation of both selective contacts is carried out after high-temperature annealing and is therefore not affected by the latter. We examine p-i-n solar cells with an intrinsic region made of Si NCs embedded in silicon carbide. Device failure due to damaged insulation layers is analyzed by light beam-induced current measurements. An optical model of the device is presented for improving the cell current. A characterization scheme for Si NC p-i-n solar cells is presented which aims at determining the fundamental transport and recombination properties, i.e., the effective mobility lifetime product, of the nanocrystal layer at device level. For this means, an illumination-dependent analysis of Si NC p-i-n solar cells is carried out within the framework of the constant field approximation. The analysis builds on an optical device model, which is used to assess the photogenerated current in each of the device layers. Illumination-dependent current-voltage curves are modelled with a voltage-dependent current collection function with only two free parameters, and excellent agreement is found between theory and experiment. An effective mobility lifetime product of 10-10 cm2/V is derived and confirmed independently from an alternative method. The procedure discussed in this chapter is proposed as a characterization scheme for further material development, providing an optimization parameter (the effective mobility lifetime product) relevant for the photovoltaic performance of Si NC films.

A Cyclic-Plasticity-Based Mechanistic Approach for Fatigue Evaluation of 316 Stainless Steel Under Arbitrary Loading

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barua, Bipul; Mohanty, Subhasish; Listwan, Joseph T.

In this paper, a cyclic-plasticity based fully mechanistic fatigue modeling approach is presented. This is based on time-dependent stress-strain evolution of the material over the entire fatigue life rather than just based on the end of live information typically used for empirical S~N curve based fatigue evaluation approaches. Previously we presented constant amplitude fatigue test based related material models for 316 SS base, 508 LAS base and 316 SS- 316 SS weld which are used in nuclear reactor components such as pressure vessels, nozzles, and surge line pipes. However, we found that constant amplitude fatigue data based models have limitationmore » in capturing the stress-strain evolution under arbitrary fatigue loading. To address the above mentioned limitation, in this paper, we present a more advanced approach that can be used for modeling the cyclic stress-strain evolution and fatigue life not only under constant amplitude but also under any arbitrary (random/variable) fatigue loading. The related material model and analytical model results are presented for 316 SS base metal. Two methodologies (either based on time/cycle or based on accumulated plastic strain energy) to track the material parameters at a given time/cycle are discussed and associated analytical model results are presented. From the material model and analytical cyclic plasticity model results, it is found that the proposed cyclic plasticity model can predict all the important stages of material behavior during the entire fatigue life of the specimens with more than 90% accuracy« less

A Cyclic-Plasticity-Based Mechanistic Approach for Fatigue Evaluation of 316 Stainless Steel Under Arbitrary Loading

DOE PAGES

Barua, Bipul; Mohanty, Subhasish; Listwan, Joseph T.; ...

2017-12-05

In this paper, a cyclic-plasticity based fully mechanistic fatigue modeling approach is presented. This is based on time-dependent stress-strain evolution of the material over the entire fatigue life rather than just based on the end of live information typically used for empirical S~N curve based fatigue evaluation approaches. Previously we presented constant amplitude fatigue test based related material models for 316 SS base, 508 LAS base and 316 SS- 316 SS weld which are used in nuclear reactor components such as pressure vessels, nozzles, and surge line pipes. However, we found that constant amplitude fatigue data based models have limitationmore » in capturing the stress-strain evolution under arbitrary fatigue loading. To address the above mentioned limitation, in this paper, we present a more advanced approach that can be used for modeling the cyclic stress-strain evolution and fatigue life not only under constant amplitude but also under any arbitrary (random/variable) fatigue loading. The related material model and analytical model results are presented for 316 SS base metal. Two methodologies (either based on time/cycle or based on accumulated plastic strain energy) to track the material parameters at a given time/cycle are discussed and associated analytical model results are presented. From the material model and analytical cyclic plasticity model results, it is found that the proposed cyclic plasticity model can predict all the important stages of material behavior during the entire fatigue life of the specimens with more than 90% accuracy« less

Stress and Strain in Silicon Electrode Models

DOE PAGES

Higa, Kenneth; Srinivasan, Venkat

2015-03-24

While the high capacity of silicon makes it an attractive negative electrode for Li-ion batteries, the associated large volume change results in fracture and capacity fade. Composite electrodes incorporating silicon have additional complexity, as active material is attached to surrounding material which must likewise experience significant volume change. In this paper, a finite-deformation model is used to explore, for the first time, mechanical interactions between a silicon particle undergoing lithium insertion, and attached binder material. Simulations employ an axisymmetric model system in which solutions vary in two spatial directions and shear stresses develop at interfaces between materials. The mechanical responsemore » of the amorphous active material is dependent on lithium concentration, and an equation of state incorporating reported volume expansion data is used. Simulations explore the influence of active material size and binder stiffness, and suggest delamination as an additional mode of material damage. Computed strain energies and von Mises equivalent stresses are in physically-relevant ranges, comparable to reported yield stresses and adhesion energies, and predicted trends are largely consistent with reported experimental results. It is hoped that insights from this work will support the design of more robust silicon composite electrodes.« less

Thickness Constraints on the Icy Shells of the Galilean Satellites from a Comparison of Crater Shapes

NASA Technical Reports Server (NTRS)

Schenk, Paul M.

2002-01-01

A thin outer ice shell on Jupiter's large moon Europa would imply easy exchange between the surface and any organic or biotic material in its putative subsurface ocean. The thickness of the outer ice shell is poorly constrained, however, with model-dependent estimates ranging from a few kilometers of depths of impact craters on Europa, Ganymede and Callisto that reveal two anomalous transitions in crater shape with diameter. The first transition is probably related to temperature-dependent ductility of the crust at shallow depths (7-8 km on Europa). The second transition is attributed to the influence of subsurface oceans on all three satellites, which constrains Europa's icy shell to be at least 19 km thick. The icy lithospheres of Ganymede and Callisto are equally ice-rich, but Europa's icy shell has a thermal structure about 0.25-0.5 times the thickness of Ganymede's or Callisto's shells, depending on epoch. The appearances of the craters on Europa are inconsistent with thin-ice-shell models and indicate that exchange of oceanic and surface material could be difficult.

Effects of correlated hybridization in the single-impurity Anderson model

NASA Astrophysics Data System (ADS)

Líbero, Valter; Veiga, Rodrigo

2013-03-01

The development of new materials often dependents on the theoretical foundations which study the microscopic matter, i.e., the way atoms interact and create distinct configurations. Among the interesting materials, those with partially filled d or f orbitals immersed in nonmagnetic metals have been described by the Anderson model, which takes into account Coulomb correlation (U) when a local level (energy Ed) is doubled occupied, and an electronic hybridization between local levels and conduction band states. In addition, here we include a correlated hybridization term, which depends on the local-level occupation number involved. This term breaks particle-hole symmetry (even when U + 2Ed = 0), enhances charge fluctuations on local levels and as a consequence strongly modifies the crossover between the Hamiltonian fixed-points, even suppressing one or other. We exemplify these behaviors showing data obtained from the Numerical Renormalization Group (NRG) computation for the impurity temperature-dependent specific heat, entropy and magnetic susceptibility. The interleaving procedure is used to recover the continuum spectrum after the NRG-logarithmic discretization of the conduction band. Fundação de Amparo à Pesquisa do Estado de São Paulo - FAPESP.

Patterned corneal collagen crosslinking for astigmatism: Computational modeling study

PubMed Central

Seven, Ibrahim; Roy, Abhijit Sinha; Dupps, William J.

2014-01-01

PURPOSE To test the hypothesis that spatially selective corneal stromal stiffening can alter corneal astigmatism and assess the effects of treatment orientation, pattern, and material model complexity in computational models using patient-specific geometries. SETTING Cornea and Refractive Surgery Service, Academic Eye Institute, Cleveland, Ohio, USA. DESIGN Computational modeling study. METHODS Three-dimensional corneal geometries from 10 patients with corneal astigmatism were exported from a clinical tomography system (Pentacam). Corneoscleral finite element models of each eye were generated. Four candidate treatment patterns were simulated, and the effects of treatment orientation and magnitude of stiffening on anterior curvature and aberrations were studied. The effect of material model complexity on simulated outcomes was also assessed. RESULTS Pretreatment anterior corneal astigmatism ranged from 1.22 to 3.92 diopters (D) in a series that included regular and irregular astigmatic patterns. All simulated treatment patterns oriented on the flat axis resulted in mean reductions in corneal astigmatism and depended on the pattern geometry. The linear bow-tie pattern produced a greater mean reduction in astigmatism (1.08 D ± 0.13 [SD]; range 0.74 to 1.23 D) than other patterns tested under an assumed 2-times increase in corneal stiffness, and it had a nonlinear relationship to the degree of stiffening. The mean astigmatic effect did not change significantly with a fiber- or depth-dependent model, but it did affect the coupling ratio. CONCLUSIONS In silico simulations based on patient-specific geometries suggest that clinically significant reductions in astigmatism are possible with patterned collagen crosslinking. Effect magnitude was dependent on patient-specific geometry, effective stiffening pattern, and treatment orientation. PMID:24767795

Size-Dependent Materials Properties Toward a Universal Equation

PubMed Central

2010-01-01

Due to the lack of experimental values concerning some material properties at the nanoscale, it is interesting to evaluate this theoretically. Through a “top–down” approach, a universal equation is developed here which is particularly helpful when experiments are difficult to lead on a specific material property. It only requires the knowledge of the surface area to volume ratio of the nanomaterial, its size as well as the statistic (Fermi–Dirac or Bose–Einstein) followed by the particles involved in the considered material property. Comparison between different existing theoretical models and the proposed equation is done. PMID:20596422

A parametric model order reduction technique for poroelastic finite element models.

PubMed

Lappano, Ettore; Polanz, Markus; Desmet, Wim; Mundo, Domenico

2017-10-01

This research presents a parametric model order reduction approach for vibro-acoustic problems in the frequency domain of systems containing poroelastic materials (PEM). The method is applied to the Finite Element (FE) discretization of the weak u-p integral formulation based on the Biot-Allard theory and makes use of reduced basis (RB) methods typically employed for parametric problems. The parametric reduction is obtained rewriting the Biot-Allard FE equations for poroelastic materials using an affine representation of the frequency (therefore allowing for RB methods) and projecting the frequency-dependent PEM system on a global reduced order basis generated with the proper orthogonal decomposition instead of standard modal approaches. This has proven to be better suited to describe the nonlinear frequency dependence and the strong coupling introduced by damping. The methodology presented is tested on two three-dimensional systems: in the first experiment, the surface impedance of a PEM layer sample is calculated and compared with results of the literature; in the second, the reduced order model of a multilayer system coupled to an air cavity is assessed and the results are compared to those of the reference FE model.

Fabric and connectivity as field descriptors for deformations in granular media

NASA Astrophysics Data System (ADS)

Wan, Richard; Pouragha, Mehdi

2015-01-01

Granular materials involve microphysics across the various scales giving rise to distinct behaviours of geomaterials, such as steady states, plastic limit states, non-associativity of plastic and yield flow, as well as instability of homogeneous deformations through strain localization. Incorporating such micro-scale characteristics is one of the biggest challenges in the constitutive modelling of granular materials, especially when micro-variables may be interdependent. With this motivation, we use two micro-variables such as coordination number and fabric anisotropy computed from tessellation of the granular material to describe its state at the macroscopic level. In order to capture functional dependencies between micro-variables, the correlation between coordination number and fabric anisotropy limits is herein formulated at the particle level rather than on an average sense. This is the essence of the proposed work which investigates the evolutions of coordination number distribution (connectivity) and anisotropy (contact normal) distribution curves with deformation history and their inter-dependencies through discrete element modelling in two dimensions. These results enter as probability distribution functions into homogenization expressions during upscaling to a continuum constitutive model using tessellation as an abstract representation of the granular system. The end product is a micro-mechanically inspired continuum model with both coordination number and fabric anisotropy as underlying micro-variables incorporated into a plasticity flow rule. The derived plastic potential bears striking resemblance to cam-clay or stress-dilatancy-type yield surfaces used in soil mechanics.

Scale-dependent measurements of meteorite strength: Implications for asteroid fragmentation

NASA Astrophysics Data System (ADS)

Cotto-Figueroa, Desireé; Asphaug, Erik; Garvie, Laurence A. J.; Rai, Ashwin; Johnston, Joel; Borkowski, Luke; Datta, Siddhant; Chattopadhyay, Aditi; Morris, Melissa A.

2016-10-01

Measuring the strengths of asteroidal materials is important for developing mitigation strategies for potential Earth impactors and for understanding properties of in situ materials on asteroids during human and robotic exploration. Studies of asteroid disruption and fragmentation have typically used the strengths determined from terrestrial analog materials, although questions have been raised regarding the suitability of these materials. The few published measurements of meteorite strength are typically significantly greater than those estimated from the stratospheric breakup of meter-sized meteoroids. Given the paucity of relevant strength data, the scale-varying strength properties of meteoritic and asteroidal materials are poorly constrained. Based on our uniaxial failure studies of centimeter-sized cubes of a carbonaceous and ordinary chondrite, we develop the first Weibull failure distribution analysis of meteorites. This Weibull distribution projected to meter scales, overlaps the strengths determined from asteroidal airbursts and can be used to predict properties of to the 100 m scale. In addition, our analysis shows that meter-scale boulders on asteroids are significantly weaker than small pieces of meteorites, while large meteorites surviving on Earth are selected by attrition. Further, the common use of terrestrial analog materials to predict scale-dependent strength properties significantly overestimates the strength of meter-sized asteroidal materials and therefore is unlikely well suited for the modeling of asteroid disruption and fragmentation. Given the strength scale-dependence determined for carbonaceous and ordinary chondrite meteorites, our results suggest that boulders of similar composition on asteroids will have compressive strengths significantly less than typical terrestrial rocks.

A model for acoustic vaporization dynamics of a bubble/droplet system encapsulated within a hyperelastic shell.

PubMed

Lacour, Thomas; Guédra, Matthieu; Valier-Brasier, Tony; Coulouvrat, François

2018-01-01

Nanodroplets have great, promising medical applications such as contrast imaging, embolotherapy, or targeted drug delivery. Their functions can be mechanically activated by means of focused ultrasound inducing a phase change of the inner liquid known as the acoustic droplet vaporization (ADV) process. In this context, a four-phases (vapor + liquid + shell + surrounding environment) model of ADV is proposed. Attention is especially devoted to the mechanical properties of the encapsulating shell, incorporating the well-known strain-softening behavior of Mooney-Rivlin material adapted to very large deformations of soft, nearly incompressible materials. Various responses to ultrasound excitation are illustrated, depending on linear and nonlinear mechanical shell properties and acoustical excitation parameters. Different classes of ADV outcomes are exhibited, and a relevant threshold ensuring complete vaporization of the inner liquid layer is defined. The dependence of this threshold with acoustical, geometrical, and mechanical parameters is also provided.

Photoelectrochemical response of GaN, InGaN, and GaNP nanowire ensembles

NASA Astrophysics Data System (ADS)

Philipps, Jan M.; Hölzel, Sara; Hille, Pascal; Schörmann, Jörg; Chatterjee, Sangam; Buyanova, Irina A.; Eickhoff, Martin; Hofmann, Detlev M.

2018-05-01

The photoelectrochemical responses of GaN, GaNP, and InGaN nanowire ensembles are investigated by the electrical bias dependent photoluminescence, photocurrent, and spin trapping experiments. The results are explained in the frame of the surface band bending model. The model is sufficient for InGaN nanowires, but for GaN nanowires the electrochemical etching processes in the anodic regime have to be considered additionally. These processes lead to oxygen rich surface (GaxOy) conditions as evident from energy dispersive X-ray fluorescence. For the GaNP nanowires, a bias dependence of the carrier transfer to the electrolyte is not reflected in the photoluminescence response, which is tentatively ascribed to a different origin of radiative recombination in this material as compared to (In)GaN. The corresponding consequences for the applications of the materials for water splitting or pH-sensing will be discussed.

Picosecond acoustic phonon dynamics in LaF3:Pr3+

NASA Astrophysics Data System (ADS)

Kirkpatrick, Sean M.; Yang, Ho-Soon; Dennis, W. M.

1998-09-01

A plasma switching technique is used to generate subnanosecond, far-infrared (FIR) pulses with frequency 113 cm-1. The generation of subnanosecond FIR pulses enables us to improve the time resolution of phonon spectroscopic measurements from 50 ns to 350 ps. As an application of this technique, we investigate the subnanosecond dynamics of high-frequency phonons in 0.5% LaF3:Pr3+. In particular, we report on the generation and detection of a subnanosecond nonequilibrium phonon population at 113 cm-1, and the temporal evolution of the resulting decay products. The frequency dependence of the phonon relaxation rates of acoustic phonons in this material is found to deviate from the ω5 frequency dependence predicted by an isotropic model with linear dispersion. A more realistic model based on the actual dispersion curves of the material is presented and compared with the data.

Anisotropic constitutive model for nickel base single crystal alloys: Development and finite element implementation

NASA Technical Reports Server (NTRS)

Dame, L. T.; Stouffer, D. C.

1986-01-01

A tool for the mechanical analysis of nickel base single crystal superalloys, specifically Rene N4, used in gas turbine engine components is developed. This is achieved by a rate dependent anisotropic constitutive model implemented in a nonlinear three dimensional finite element code. The constitutive model is developed from metallurigical concepts utilizing a crystallographic approach. A non Schmid's law formulation is used to model the tension/compression asymmetry and orientation dependence in octahedral slip. Schmid's law is a good approximation to the inelastic response of the material in cube slip. The constitutive equations model the tensile behavior, creep response, and strain rate sensitivity of these alloys. Methods for deriving the material constants from standard tests are presented. The finite element implementation utilizes an initial strain method and twenty noded isoparametric solid elements. The ability to model piecewise linear load histories is included in the finite element code. The constitutive equations are accurately and economically integrated using a second order Adams-Moulton predictor-corrector method with a dynamic time incrementing procedure. Computed results from the finite element code are compared with experimental data for tensile, creep and cyclic tests at 760 deg C. The strain rate sensitivity and stress relaxation capabilities of the model are evaluated.

Study the Cyclic Plasticity Behavior of 508 LAS under Constant, Variable and Grid-Load-Following Loading Cycles for Fatigue Evaluation of PWR Components

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohanty, Subhasish; Barua, Bipul; Soppet, William K.

This report provides an update of an earlier assessment of environmentally assisted fatigue for components in light water reactors. This report is a deliverable in September 2016 under the work package for environmentally assisted fatigue under DOE’s Light Water Reactor Sustainability program. In an April 2016 report, we presented a detailed thermal-mechanical stress analysis model for simulating the stress-strain state of a reactor pressure vessel and its nozzles under grid-load-following conditions. In this report, we provide stress-controlled fatigue test data for 508 LAS base metal alloy under different loading amplitudes (constant, variable, and random grid-load-following) and environmental conditions (in airmore » or pressurized water reactor coolant water at 300°C). Also presented is a cyclic plasticity-based analytical model that can simultaneously capture the amplitude and time dependency of the component behavior under fatigue loading. Results related to both amplitude-dependent and amplitude-independent parameters are presented. The validation results for the analytical/mechanistic model are discussed. This report provides guidance for estimating time-dependent, amplitude-independent parameters related to material behavior under different service conditions. The developed mechanistic models and the reported material parameters can be used to conduct more accurate fatigue and ratcheting evaluation of reactor components.« less

Numerical modeling anti-personnel blast mines coupled to a deformable leg structure

NASA Astrophysics Data System (ADS)

Cronin, Duane; Worswick, Mike; Williams, Kevin; Bourget, Daniel; Pageau, Gilles

2001-06-01

The development of improved landmine protective footwear requires an understanding of the physics and damage mechanisms associated with a close proximity blast event. Numerical models have been developed to model surrogate mines buried in soil using the Arbitrary Lagrangian Eulerian (ALE) technique to model the explosive and surrounding air, while the soil is modeled as a deformable Lagrangian solid. The advantage of the ALE model is the ability to model large deformations, such as the expanding gases of a high explosive. This model has been validated using the available experimental data [1]. The effect of varying depth of burial and soil conditions has been investigated with these numerical models and compares favorably to data in the literature. The surrogate landmine model has been coupled to a numerical model of a Simplified Lower Leg (SLL), which is designed to mimic the response and failure mechanisms of a human leg. The SLL consists of a bone and tissue simulant arranged as concentric cylinders. A new strain-rate dependant hyperelastic material model for the tissue simulant, ballistic gelatin, has been developed to model the tissue simulant response. The polymeric bone simulant material has been characterized and implemented as a strain-rate dependent material in the numerical model. The numerical model results agree with the measured response of the SLL during experimental blast tests [2]. The numerical model results are used to explain the experimental data. These models predict that, for a surface or sub-surface buried anti-personnel mine, the coupling between the mine and SLL is an important effect. In addition, the soil properties have a significant effect on the load transmitted to the leg. [1] Bergeron, D., Walker, R. and Coffey, C., 1998, “Detonation of 100-Gram Anti-Personnel Mine Surrogate Charges in Sand”, Report number SR 668, Defence Research Establishment Suffield, Canada. [2] Bourget, D., Williams, K., Pageau, G., and Cronin, D., “AP Mine Blast Effects on Surrogate Lower Leg”, Military Aspects of Ballistics and Shock, MABS 16, 2000.

Multiscale modeling of shock wave localization in porous energetic material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wood, M. A.; Kittell, D. E.; Yarrington, C. D.

Shock wave interactions with defects, such as pores, are known to play a key role in the chemical initiation of energetic materials. The shock response of hexanitrostilbene is studied through a combination of large-scale reactive molecular dynamics and mesoscale hydrodynamic simulations. In order to extend our simulation capability at the mesoscale to include weak shock conditions (< 6 GPa), atomistic simulations of pore collapse are used here to define a strain-rate-dependent strength model. Comparing these simulation methods allows us to impose physically reasonable constraints on the mesoscale model parameters. In doing so, we have been able to study shock wavesmore » interacting with pores as a function of this viscoplastic material response. Finally, we find that the pore collapse behavior of weak shocks is characteristically different than that of strong shocks.« less

Multiscale modeling of shock wave localization in porous energetic material

DOE PAGES

Wood, M. A.; Kittell, D. E.; Yarrington, C. D.; ...

2018-01-30

Shock wave interactions with defects, such as pores, are known to play a key role in the chemical initiation of energetic materials. The shock response of hexanitrostilbene is studied through a combination of large-scale reactive molecular dynamics and mesoscale hydrodynamic simulations. In order to extend our simulation capability at the mesoscale to include weak shock conditions (< 6 GPa), atomistic simulations of pore collapse are used here to define a strain-rate-dependent strength model. Comparing these simulation methods allows us to impose physically reasonable constraints on the mesoscale model parameters. In doing so, we have been able to study shock wavesmore » interacting with pores as a function of this viscoplastic material response. Finally, we find that the pore collapse behavior of weak shocks is characteristically different than that of strong shocks.« less

Closed-form solution of the Ogden-Hill's compressible hyperelastic model for ramp loading

NASA Astrophysics Data System (ADS)

Berezvai, Szabolcs; Kossa, Attila

2017-05-01

This article deals with the visco-hyperelastic modelling approach for compressible polymer foam materials. Polymer foams can exhibit large elastic strains and displacements in case of volumetric compression. In addition, they often show significant rate-dependent properties. This material behaviour can be accurately modelled using the visco-hyperelastic approach, in which the large strain viscoelastic description is combined with the rate-independent hyperelastic material model. In case of polymer foams, the most widely used compressible hyperelastic material model, the so-called Ogden-Hill's model, was applied, which is implemented in the commercial finite element (FE) software Abaqus. The visco-hyperelastic model is defined in hereditary integral form, therefore, obtaining a closed-form solution for the stress is not a trivial task. However, the parameter-fitting procedure could be much faster and accurate if closed-form solution exists. In this contribution, exact stress solutions are derived in case of uniaxial, biaxial and volumetric compression loading cases using ramp-loading history. The analytical stress solutions are compared with the stress results in Abaqus using FE analysis. In order to highlight the benefits of the analytical closed-form solution during the parameter-fitting process experimental work has been carried out on a particular open-cell memory foam material. The results of the material identification process shows significant accuracy improvement in the fitting procedure by applying the derived analytical solutions compared to the so-called separated approach applied in the engineering practice.

Finite element analysis of residual stress field induced by laser shock peening

NASA Astrophysics Data System (ADS)

Nam, Taeksun

The finite element method is applied to analyze the laser shock peening process (LSP) for thick parts (considered as a semi-infinite half space) and thin parts (finite thickness domain). The technology of LSP is used to enhance mechanical properties such as fatigue life, fretting fatigue life, resistance to stress corrosion cracking and surface hardness. These enhanced material properties are directly related to the magnitude and distribution of the plastic strain and associated residual stresses due to shockwaves induced by LSP. To reduce the process development cost and time, the prediction of residual stress field is very useful to provide a base design guideline for selecting appropriate LSP conditions for evaluation. An axisymmetric Finite Element Analysis (FEA) code, named SHOCKWAVE, is developed in order to complement shortcomings of applying commercial FEA codes at extremely high strain rates (as high as 104 -106/sec). The rate dependent plasticity theory is applied along with the small strain assumption. The solution process consists of an explicit dynamic loading analysis for shock loading stage and a static unloading analysis (implicit) to determine the equilibrium state for the residual stress and plastic strain fields. Some of the highlights explored in this investigation entail: (i) overstress power law models for the rate dependence, (ii) various hardening models, (iii) a second-order accurate implicit algorithm for the plastic consistency condition, (iv) an adaptively expanding domain scheme to trace the stress-free boundary condition in a simple way, (v) a special uniform meshing scheme to avoid the usual assembly process and repeated calculations for the stiffness matrix, (vi) mesh sensitivity study, (vii) comparisons with measured data provided and supported by the LSP Technologies, Inc. The dynamic behavior of Ti-6Al-4V at high strain rates can be investigated by using the split torsional Hopkinson bar experiment and by a longitudinal shock loading simulation in uniaxial strain to obtain material parameters representing rate dependent plasticity. In case of the double-sided laser peening for a thin part, reversal in loading plays a significant role. The stress waves repeatedly recompose the pre-accumulated plastic strains because of the interaction of the primary and reflected stress waves. In an attempt to better represent the material behavior under repeated reversals and collapses in loading, a sequence of bend-reverse bend tests is performed to identify the material parameters of TI-6Al-4V needed for a nonlinear kinematic hardening model (Chaboche model). For a thick part (a semi-infinite domain), single shot as well as multiple shots (at the same location) cases are simulated and compared with measured data for two different loading magnitudes and three different hardening models. Some of the simulation results agree well with the measured data, depending on the choice of hardening model and the treatment of rate dependent material behavior at high strain rates. Only a single shot (on both sides) case is investigated for a thin part (a finite thickness domain) in terms of residual stress distribution. The disagreement between the computed results and the measured data is more pronounced in this case, needing further investigations on both sides of the fields.

Fracture strength of the particulate-reinforced ultra-high temperature ceramics based on a temperature dependent fracture toughness model

NASA Astrophysics Data System (ADS)

Wang, Ruzhuan; Li, Weiguo; Ji, Baohua; Fang, Daining

2017-10-01

The particulate-reinforced ultra-high temperature ceramics (pUHTCs) have been particularly developed for fabricating the leading edge and nose cap of hypersonic vehicles. They have drawn intensive attention of scientific community for their superior fracture strength at high temperatures. However, there is no proper model for predicting the fracture strength of the ceramic composites and its dependency on temperature. In order to account for the effect of temperature on the fracture strength, we proposed a concept called energy storage capacity, by which we derived a new model for depicting the temperature dependent fracture toughness of the composites. This model gives a quantitative relationship between the fracture toughness and temperature. Based on this temperature dependent fracture toughness model and Griffith criterion, we developed a new fracture strength model for predicting the temperature dependent fracture strength of pUHTCs at different temperatures. The model takes into account the effects of temperature, flaw size and residual stress without any fitting parameters. The predictions of the fracture strength of pUHTCs in argon or air agreed well with the experimental measurements. Additionally, our model offers a mechanism of monitoring the strength of materials at different temperatures by testing the change of flaw size. This study provides a quantitative tool for design, evaluation and monitoring of the fracture properties of pUHTCs at high temperatures.

Implementation and validation of the extended Hill-type muscle model with robust routing capabilities in LS-DYNA for active human body models.

PubMed

Kleinbach, Christian; Martynenko, Oleksandr; Promies, Janik; Haeufle, Daniel F B; Fehr, Jörg; Schmitt, Syn

2017-09-02

In the state of the art finite element AHBMs for car crash analysis in the LS-DYNA software material named *MAT_MUSCLE (*MAT_156) is used for active muscles modeling. It has three elements in parallel configuration, which has several major drawbacks: restraint approximation of the physical reality, complicated parameterization and absence of the integrated activation dynamics. This study presents implementation of the extended four element Hill-type muscle model with serial damping and eccentric force-velocity relation including [Formula: see text] dependent activation dynamics and internal method for physiological muscle routing. Proposed model was implemented into the general-purpose finite element (FE) simulation software LSDYNA as a user material for truss elements. This material model is verified and validated with three different sets of mammalian experimental data, taken from the literature. It is compared to the *MAT_MUSCLE (*MAT_156) Hill-type muscle model already existing in LS-DYNA, which is currently used in finite element human body models (HBMs). An application example with an arm model extracted from the FE ViVA OpenHBM is given, taking into account physiological muscle paths. The simulation results show better material model accuracy, calculation robustness and improved muscle routing capability compared to *MAT_156. The FORTRAN source code for the user material subroutine dyn21.f and the muscle parameters for all simulations, conducted in the study, are given at https://zenodo.org/record/826209 under an open source license. This enables a quick application of the proposed material model in LS-DYNA, especially in active human body models (AHBMs) for applications in automotive safety.

Quasiparticle self-consistent GW study of cuprates: electronic structure, model parameters, and the two-band theory for Tc.

PubMed

Jang, Seung Woo; Kotani, Takao; Kino, Hiori; Kuroki, Kazuhiko; Han, Myung Joon

2015-07-24

Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-Tc materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between d(x(2)-y(2)) and d(3z(2)-r(2)) is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, Tc.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism.

PubMed

Liu, Donghuan; Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model.

Ablation and Thermal Response Property Model Validation for Phenolic Impregnated Carbon Ablator

NASA Technical Reports Server (NTRS)

Milos, F. S.; Chen, Y.-K.

2009-01-01

Phenolic Impregnated Carbon Ablator was the heatshield material for the Stardust probe and is also a candidate heatshield material for the Orion Crew Module. As part of the heatshield qualification for Orion, physical and thermal properties were measured for newly manufactured material, included emissivity, heat capacity, thermal conductivity, elemental composition, and thermal decomposition rates. Based on these properties, an ablation and thermal-response model was developed for temperatures up to 3500 K and pressures up to 100 kPa. The model includes orthotropic and pressure-dependent thermal conductivity. In this work, model validation is accomplished by comparison of predictions with data from many arcjet tests conducted over a range of stagnation heat flux and pressure from 107 Watts per square centimeter at 2.3 kPa to 1100 Watts per square centimeter at 84 kPa. Over the entire range of test conditions, model predictions compare well with measured recession, maximum surface temperatures, and in depth temperatures.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism

PubMed Central

Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model. PMID:29547651

Experimental Identification and Simulation of Time and/or Rate Dependent Reversible and Irreversible Deformation Regions for both a Titanium and Nickel Alloy

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Lerch, Bradley A.; Sellers, Cory

2013-01-01

In this paper time and/or rate dependent deformation regions are experimentally mapped out as a function of temperature. It is clearly demonstrated that the concept of a threshold stress (a stress that delineate reversible and irreversible behavior) is valid and necessary at elevated temperatures and corresponds to the classical yield stress at lower temperatures. Also the infinitely slow modulus, (Es) i.e. the elastic modulus of the material if it was loaded at an infinitely slow strain rate, and the "dynamic modulus", modulus, Ed, which represents the modulus of the material if it is loaded at an infinitely fast rate are used to delineate rate dependent from rate independent regions. As demonstrated at elevated temperatures there is a significant difference between the two modulus values, thus indicating both significant time-dependence and rate dependence. In the case of the nickel-based super alloy, ME3, this behavior is also shown to be grain size specific. Consequently, at higher temperatures viscoelastic behavior exist below k (i.e., the threshold stress) and at stresses above k the behavior is viscoplastic. Finally a multi-mechanism, stress partitioned viscoelastic model, capable of being consistently coupled to a viscoplastic model is characterized over the full temperature range investigated for Ti-6-4 and ME3.

Multiple electrical phase transitions in Al substituted barium hexaferrite

NASA Astrophysics Data System (ADS)

Kumar, Sunil; Supriya, Sweety; Kar, Manoranjan

2017-12-01

Barium hexaferrite is known to be a very good ferromagnetic material. However, it shows very good dielectric properties, i.e., the dielectric constant is comparable to that of the ferroelectric material. However, its crystal symmetry does not allow it to be a ferroelectric material. Hence, the electrical properties have revived the considerable research interest on these materials, not only for academic interest, but also for technological applications. There are a few reports on temperature dependent dielectric behavior of these materials. However, the exact cause of dielectric as well as electrical conductivity is yet to be established. Hence, Al (very good conducting material) substituted barium hexaferrite (BaFe12-xAlxO19, x = 0.0-4.0) has been prepared by following the modified sol-gel method to understand the ac and DC electrical properties of these materials. The crystal structure and parameters have been studied by employing the XRD and FTIR techniques. There are two transition temperatures, which have been observed in the temperature dependent ac dielectric and DC resistivity measurement. The response of dielectric behaviors to temperature is similar to that of the ferroelectric material; however, the dielectric polarization is due to the polaron hopping, which is evident from the DC resistivity analysis. Hence, the present observations lead to understand the electrical properties of barium hexaferrite. The frequency dependent dielectric dispersion can be understood by the modified Debye model. More interestingly, the dielectric constant decreases and DC resistivity increases with the increase in the Al concentration, which has the correlation between bond length modifications in the crystal due to substitution.

Composite materials research and education program: The NASA-Virginia Tech composites program

NASA Technical Reports Server (NTRS)

Herakovich, C. T.

1980-01-01

Major areas of study include: (1) edge effects in finite width laminated composites subjected to mechanical, thermal and hygroscopic loading with temperature dependent material properties and the influence of edge effects on the initiation of failure; (2) shear and compression testing of composite materials at room and elevated temperatures; (3) optical techniques for precise measurement of coefficients of thermal expansion of composites; (4) models for the nonlinear behavior of composites including material nonlinearity and damage accumulation and verification of the models under biaxial loading; (5) compressive failure of graphite/epoxy plates with circular holes and the buckling of composite cylinders under combined compression and torsion; (6) nonlinear mechanical properties of borsic/aluminum, graphite/polyimide and boron/aluminum; (7) the strength characteristics of spliced sandwich panels; and (8) curved graphite/epoxy panels subjected to internal pressure.

An inverse method for determining the spatially resolved properties of viscoelastic–viscoplastic three-dimensional printed materials

PubMed Central

Chen, X.; Ashcroft, I. A.; Wildman, R. D.; Tuck, C. J.

2015-01-01

A method using experimental nanoindentation and inverse finite-element analysis (FEA) has been developed that enables the spatial variation of material constitutive properties to be accurately determined. The method was used to measure property variation in a three-dimensional printed (3DP) polymeric material. The accuracy of the method is dependent on the applicability of the constitutive model used in the inverse FEA, hence four potential material models: viscoelastic, viscoelastic–viscoplastic, nonlinear viscoelastic and nonlinear viscoelastic–viscoplastic were evaluated, with the latter enabling the best fit to experimental data. Significant changes in material properties were seen in the depth direction of the 3DP sample, which could be linked to the degree of cross-linking within the material, a feature inherent in a UV-cured layer-by-layer construction method. It is proposed that the method is a powerful tool in the analysis of manufacturing processes with potential spatial property variation that will also enable the accurate prediction of final manufactured part performance. PMID:26730216

An inverse method for determining the spatially resolved properties of viscoelastic-viscoplastic three-dimensional printed materials.

PubMed

Chen, X; Ashcroft, I A; Wildman, R D; Tuck, C J

2015-11-08

A method using experimental nanoindentation and inverse finite-element analysis (FEA) has been developed that enables the spatial variation of material constitutive properties to be accurately determined. The method was used to measure property variation in a three-dimensional printed (3DP) polymeric material. The accuracy of the method is dependent on the applicability of the constitutive model used in the inverse FEA, hence four potential material models: viscoelastic, viscoelastic-viscoplastic, nonlinear viscoelastic and nonlinear viscoelastic-viscoplastic were evaluated, with the latter enabling the best fit to experimental data. Significant changes in material properties were seen in the depth direction of the 3DP sample, which could be linked to the degree of cross-linking within the material, a feature inherent in a UV-cured layer-by-layer construction method. It is proposed that the method is a powerful tool in the analysis of manufacturing processes with potential spatial property variation that will also enable the accurate prediction of final manufactured part performance.

The theoretical current-voltage dependence of a non-degenerate disordered organic material obtained with conductive atomic force microscopy

NASA Astrophysics Data System (ADS)

Woellner, Cristiano F.; Freire, José A.; Guide, Michele; Nguyen, Thuc-Quyen

2011-08-01

We develop a simple continuum model for the current voltage characteristics of a material as measured by the conducting atomic force microscopy, including space charge effects. We address the effect of the point contact on the magnitude of the current and on the transition voltages between the different current regimes by comparing these with the corresponding expressions obtained with planar electrodes.

Rheology of Carbon Fibre Reinforced Cement-Based Mortar

NASA Astrophysics Data System (ADS)

Banfill, Phillip F. G.; Starrs, Gerry; McCarter, W. John

2008-07-01

Carbon fibre reinforced cement based materials (CFRCs) offer the possibility of fabricating "smart" electrically conductive materials. Rheology of the fresh mix is crucial to satisfactory moulding and fresh CFRC conforms to the Bingham model with slight structural breakdown. Both yield stress and plastic viscosity increase with increasing fibre length and volume concentration. Using a modified Viskomat NT, the concentration dependence of CFRC rheology up to 1.5% fibre volume is reported.

State-variable theories for nonelastic deformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, C.Y.

The various concepts of mechanical equation of state for nonelastic deformation in crystalline solids, originally proposed for plastic deformation, have been recently extended to describe additional phenomena such as anelastic and microplastic deformation including the Bauschinger effect. It has been demonstrated that it is possible to predict, based on current state variables in a unified way, the mechanical response of a material under an arbitrary loading. Thus, if the evolution laws of the state variables are known, one can describe the behavior of a material for a thermal-mechanical path of interest, for example, during constant load (or stress) creep withoutmore » relying on specialized theories. Some of the existing theories of mechanical equation of state for nonelastic deformation are reviewed. The establishment of useful forms of mechanical equation of state has to depend on extensive experimentation in the same way as that involved in the development, for example, the ideal gas law. Recent experimental efforts are also reviewed. It has been possible to develop state-variable deformation models based on experimental findings and apply them to creep, cyclic deformation, and other time-dependent deformation. Attempts are being made to correlate the material parameters of the state-variable models with the microstructure of a material. 24 figures.« less

A numerical and experimental study of temperature effects on deformation behavior of carbon steels at high strain rates

NASA Astrophysics Data System (ADS)

Pouya, M.; Winter, S.; Fritsch, S.; F-X Wagner, M.

2017-03-01

Both in research and in the light of industrial applications, there is a growing interest in methods to characterize the mechanical behavior of materials at high strain rates. This is particularly true for steels (the most important structural materials), where often the strain rate-dependent material behavior also needs to be characterized in a wide temperature range. In this study, we use the Finite Element Method (FEM), first, to model the compressive deformation behavior of carbon steels under quasi-static loading conditions. The results are then compared to experimental data (for a simple C75 steel) at room temperature, and up to testing temperatures of 1000 °C. Second, an explicit FEM model that captures wave propagation phenomena during dynamic loading is developed to closely reflect the complex loading conditions in a Split-Hopkinson Pressure Bar (SHPB) - an experimental setup that allows loading of compression samples with strain rates up to 104 s-1 The dynamic simulations provide a useful basis for an accurate analysis of dynamically measured experimental data, which considers reflected elastic waves. By combining numerical and experimental investigations, we derive material parameters that capture the strain rate- and temperature-dependent behavior of the C75 steel from room temperature to 1000 °C, and from quasi-static to dynamic loading.

Statistical iterative material image reconstruction for spectral CT using a semi-empirical forward model

NASA Astrophysics Data System (ADS)

Mechlem, Korbinian; Ehn, Sebastian; Sellerer, Thorsten; Pfeiffer, Franz; Noël, Peter B.

2017-03-01

In spectral computed tomography (spectral CT), the additional information about the energy dependence of attenuation coefficients can be exploited to generate material selective images. These images have found applications in various areas such as artifact reduction, quantitative imaging or clinical diagnosis. However, significant noise amplification on material decomposed images remains a fundamental problem of spectral CT. Most spectral CT algorithms separate the process of material decomposition and image reconstruction. Separating these steps is suboptimal because the full statistical information contained in the spectral tomographic measurements cannot be exploited. Statistical iterative reconstruction (SIR) techniques provide an alternative, mathematically elegant approach to obtaining material selective images with improved tradeoffs between noise and resolution. Furthermore, image reconstruction and material decomposition can be performed jointly. This is accomplished by a forward model which directly connects the (expected) spectral projection measurements and the material selective images. To obtain this forward model, detailed knowledge of the different photon energy spectra and the detector response was assumed in previous work. However, accurately determining the spectrum is often difficult in practice. In this work, a new algorithm for statistical iterative material decomposition is presented. It uses a semi-empirical forward model which relies on simple calibration measurements. Furthermore, an efficient optimization algorithm based on separable surrogate functions is employed. This partially negates one of the major shortcomings of SIR, namely high computational cost and long reconstruction times. Numerical simulations and real experiments show strongly improved image quality and reduced statistical bias compared to projection-based material decomposition.

Pricing end-of-life components

NASA Astrophysics Data System (ADS)

Vadde, Srikanth; Kamarthi, Sagar V.; Gupta, Surendra M.

2005-11-01

The main objective of a product recovery facility (PRF) is to disassemble end-of-life (EOL) products and sell the reclaimed components for reuse and recovered materials in second-hand markets. Variability in the inflow of EOL products and fluctuation in demand for reusable components contribute to the volatility in inventory levels. To stay profitable the PRFs ought to manage their inventory by regulating the price appropriately to minimize holding costs. This work presents two deterministic pricing models for a PRF bounded by environmental regulations. In the first model, the demand is price dependent and in the second, the demand is both price and time dependent. The models are valid for single component with no inventory replenishment sale during the selling horizon . Numerical examples are presented to illustrate the models.

Time-dependent chemo-electro-mechanical behavior of hydrogel-based structures

NASA Astrophysics Data System (ADS)

Leichsenring, Peter; Wallmersperger, Thomas

2018-03-01

Charged hydrogels are ionic polymer gels and belong to the class of smart materials. These gels are multiphasic materials which consist of a solid phase, a fluid phase and an ionic phase. Due to the presence of bound charges these materials are stimuli-responsive to electrical or chemical loads. The application of electrical or chemical stimuli as well as mechanical loads lead to a viscoelastic response. On the macroscopic scale, the response is governed by a local reversible release or absorption of water which, in turn, leads to a local decrease or increase of mass and a respective volume change. Furthermore, the chemo-electro-mechanical equilibrium of a hydrogel depends on the chemical composition of the gel and the surrounding solution bath. Due to the presence of bound charges in the hydrogel, this system can be understood as an osmotic cell where differences in the concentration of mobile ions in the gel and solution domain lead to an osmotic pressure difference. In the present work, a continuum-based numerical model is presented in order to describe the time-dependent swelling behavior of hydrogels. The numerical model is based on the Theory of Porous Media and captures the fluid-solid, fluid-ion and ion-ion interactions. As a direct consequence of the chemo-electro-mechanical equilibrium, the corresponding boundary conditions are defined following the equilibrium conditions. For the interaction of the hydrogel with surrounding mechanical structures, also respective jump condtions are formulated. Finaly, numerical results of the time-dependent behavior of a hydrogel-based chemo-sensor will be presented.

Modelling polymeric deformable granular materials - from experimental data to numerical models at the grain scale

NASA Astrophysics Data System (ADS)

Teil, Maxime; Harthong, Barthélémy; Imbault, Didier; Peyroux, Robert

2017-06-01

Polymeric deformable granular materials are widely used in industry and the understanding and the modelling of their shaping process is a point of interest. This kind of materials often presents a viscoelasticplastic behaviour and the present study promotes a joint approach between numerical simulations and experiments in order to derive the behaviour law of such granular material. The experiment is conducted on a polystyrene powder on which a confining pressure of 7MPa and an axial pressure reaching 30MPa are applied. Between different steps of the in-situ test, the sample is scanned in an X-rays microtomograph in order to know the structure of the material depending on the density. From the tomographic images and by using specific algorithms to improve the images quality, grains are automatically identified, separated and a finite element mesh is generated. The long-term objective of this study is to derive a representative sample directly from the experiments in order to run numerical simulations using a viscoelactic or viscoelastic-plastic constitutive law and compare numerical and experimental results at the particle scale.

Investigation on the Flexural Creep Stiffness Behavior of PC-ABS Material Processed by Fused Deposition Modeling Using Response Surface Definitive Screening Design

NASA Astrophysics Data System (ADS)

Mohamed, Omar Ahmed; Masood, Syed Hasan; Bhowmik, Jahar Lal

2017-03-01

The resistance of polymeric materials to time-dependent plastic deformation is an important requirement of the fused deposition modeling (FDM) design process, its processed products, and their application for long-term loading, durability, and reliability. The creep performance of the material and part processed by FDM is the fundamental criterion for many applications with strict dimensional stability requirements, including medical implants, electrical and electronic products, and various automotive applications. Herein, the effect of FDM fabrication conditions on the flexural creep stiffness behavior of polycarbonate-acrylonitrile-butadiene-styrene processed parts was investigated. A relatively new class of experimental design called "definitive screening design" was adopted for this investigation. The effects of process variables on flexural creep stiffness behavior were monitored, and the best suited quadratic polynomial model with high coefficient of determination ( R 2) value was developed. This study highlights the value of response surface definitive screening design in optimizing properties for the products and materials, and it demonstrates its role and potential application in material processing and additive manufacturing.

The model of the long-range effect in solids: Evolution of structure, clusters of internal boundaries, and their statistical descriptors

NASA Astrophysics Data System (ADS)

Herega, Alexander; Sukhanov, Volodymyr; Vyrovoy, Valery

2017-12-01

It is known that the multifocal mechanism of genesis of structure of heterogeneous materials provokes intensive formation of internal boundaries. In the present papers, the dependence of the structure and properties of material on the characteristic size and shape, the number and size distribution, and the character of interaction of individual internal boundaries and their clusters is studied. The limitation on the applicability of the material damage coefficient is established; the effective information descriptor of internal boundaries is proposed. An idea of the effect of long-range interaction in irradiated solids on the realization of the second-order phase transition is introduced; a phenomenological percolation model of the effect is proposed.

Improving the prediction of the final part geometry in high strength steels U drawing by means of advanced material and friction models

NASA Astrophysics Data System (ADS)

de Argandoña, Eneko Saenz; Mendiguren, Joseba; Otero, Irune; Mugarra, Endika; Otegi, Nagore; Galdos, Lander

2018-05-01

Steel has been used in vehicles from the automotive industry's inception. Different steel grades are continually being developed in order to satisfy new fuel economy requirements. For example, advanced high strength steel grades (AHSS) are widely used due to their good strength/weight ratio. Because each steel grade has a different microstructure composition and hardness, they show different behaviors when they are subjected to different strain paths. Similarly, the friction behavior when using different contact pressures is considerably altered. In the present paper, four different steel grades, ZSt380, DP600, DP780 and Fortiform 1050 materials are deeply characterized using uniaxial and cyclic tension-compression tests. Coefficient of friction (COF) is also obtained using strip drawing tests. These results have been used to calibrate mixed kinematic-hardening material models as well as pressure dependent friction models. Finally, the geometrical accuracy of the different material and friction models has been evaluated by comparing the numerical predictions with experimental demonstrators obtained using a U-Drawing tester.

Mass transport in morphogenetic processes: A second gradient theory for volumetric growth and material remodeling

NASA Astrophysics Data System (ADS)

Ciarletta, P.; Ambrosi, D.; Maugin, G. A.

2012-03-01

In this work, we derive a novel thermo-mechanical theory for growth and remodeling of biological materials in morphogenetic processes. This second gradient hyperelastic theory is the first attempt to describe both volumetric growth and mass transport phenomena in a single-phase continuum model, where both stress- and shape-dependent growth regulations can be investigated. The diffusion of biochemical species (e.g. morphogens, growth factors, migration signals) inside the material is driven by configurational forces, enforced in the balance equations and in the set of constitutive relations. Mass transport is found to depend both on first- and on second-order material connections, possibly withstanding a chemotactic behavior with respect to diffusing molecules. We find that the driving forces of mass diffusion can be written in terms of covariant material derivatives reflecting, in a purely geometrical manner, the presence of a (first-order) torsion and a (second-order) curvature. Thermodynamical arguments show that the Eshelby stress and hyperstress tensors drive the rearrangement of the first- and second-order material inhomogeneities, respectively. In particular, an evolution law is proposed for the first-order transplant, extending a well-known result for inelastic materials. Moreover, we define the first stress-driven evolution law of the second-order transplant in function of the completely material Eshelby hyperstress. The theory is applied to two biomechanical examples, showing how an Eshelbian coupling can coordinate volumetric growth, mass transport and internal stress state, both in physiological and pathological conditions. Finally, possible applications of the proposed model are discussed for studying the unknown regulation mechanisms in morphogenetic processes, as well as for optimizing scaffold architecture in regenerative medicine and tissue engineering.

[Fundamental biological model for trials of wound ballistics].

PubMed

Krajsa, J; Hirt, M

2006-10-01

The aim of our experiment was the testing of effects of common ammunition on usable and slightly accessible biological tissue thereby to create fundamental simple biological model for trials of wounded ballistic. Like objective tissue was elected biological material - pork and beef hind-limbs, pork head, pork bodily cavity. It was discovered that objective tissue is able to react to singles types of shots in all spectrum results namely simple smooth penetration wound as well as splintery fracture in dependence on kind of using ammunition. Pork hind-limb was evaluated like the most suitable biological material for given object.

Proposed FY13 LRIR: Shock-Mitigating Multilayered Mechanical Metamaterials (SM5)

DTIC Science & Technology

2012-08-02

DoD SMART Scholarship for Service Program Awareness Info Sharing Co-Funded Inter- locked 4Approved for Public Release; Distribution Unlimited (PA...Materials Modeling • Rate-dependent • Temperature-dependent • Complex properties Theoretical Mechanics • Dispersion • Wave modes/ polarization ...Dick (Rice) • Wavelet SEM in Plates, PI: Ratan Jha (Clarkson) – Soliton -Based Artificial Nervous System • PI’s: “JK” Yang (USC), Amanda Schrand

Analytic description of the frictionally engaged in-plane bending process incremental swivel bending (ISB)

NASA Astrophysics Data System (ADS)

Frohn, Peter; Engel, Bernd; Groth, Sebastian

2018-05-01

Kinematic forming processes shape geometries by the process parameters to achieve a more universal process utilizations regarding geometric configurations. The kinematic forming process Incremental Swivel Bending (ISB) bends sheet metal strips or profiles in plane. The sequence for bending an arc increment is composed of the steps clamping, bending, force release and feed. The bending moment is frictionally engaged by two clamping units in a laterally adjustable bending pivot. A minimum clamping force hindering the material from slipping through the clamping units is a crucial criterion to achieve a well-defined incremental arc. Therefore, an analytic description of a singular bent increment is developed in this paper. The bending moment is calculated by the uniaxial stress distribution over the profiles' width depending on the bending pivot's position. By a Coulomb' based friction model, necessary clamping force is described in dependence of friction, offset, dimensions of the clamping tools and strip thickness as well as material parameters. Boundaries for the uniaxial stress calculation are given in dependence of friction, tools' dimensions and strip thickness. The results indicate that changing the bending pivot to an eccentric position significantly affects the process' bending moment and, hence, clamping force, which is given in dependence of yield stress and hardening exponent. FE simulations validate the model with satisfactory accordance.

Evaluation of Bulk Charging in Geostationary Transfer Orbit and Earth Escape Trajectories Using the Numit 1-D Charging Model

NASA Technical Reports Server (NTRS)

Minow, Joseph I.; Coffey, Victoria N.; Parker, Linda N.; Blackwell, William C., Jr.; Jun, Insoo; Garrett, Henry B.

2007-01-01

The NUMIT 1-dimensional bulk charging model is used as a screening to ol for evaluating time-dependent bulk internal or deep dielectric) ch arging of dielectrics exposed to penetrating electron environments. T he code is modified to accept time dependent electron flux time serie s along satellite orbits for the electron environment inputs instead of using the static electron flux environment input originally used b y the code and widely adopted in bulk charging models. Application of the screening technique ts demonstrated for three cases of spacecraf t exposure within the Earth's radiation belts including a geostationa ry transfer orbit and an Earth-Moon transit trajectory for a range of orbit inclinations. Electric fields and charge densities are compute d for dielectric materials with varying electrical properties exposed to relativistic electron environments along the orbits. Our objectiv e is to demonstrate a preliminary application of the time-dependent e nvironments input to the NUMIT code for evaluating charging risks to exposed dielectrics used on spacecraft when exposed to the Earth's ra diation belts. The results demonstrate that the NUMIT electric field values in GTO orbits with multiple encounters with the Earth's radiat ion belts are consistent with previous studies of charging in GTO orb its and that potential threat conditions for electrostatic discharge exist on lunar transit trajectories depending on the electrical proper ties of the materials exposed to the radiation environment.

On firework blasts and qualitative parameter dependency.

PubMed

Zohdi, T I

2016-01-01

In this paper, a mathematical model is developed to qualitatively simulate the progressive time-evolution of a blast from a simple firework. Estimates are made for the blast radius that one can expect for a given amount of detonation energy and pyrotechnic display material. The model balances the released energy from the initial blast pulse with the subsequent kinetic energy and then computes the trajectory of the material under the influence of the drag from the surrounding air, gravity and possible buoyancy. Under certain simplifying assumptions, the model can be solved for analytically. The solution serves as a guide to identifying key parameters that control the evolving blast envelope. Three-dimensional examples are given.

On firework blasts and qualitative parameter dependency

PubMed Central

Zohdi, T. I.

2016-01-01

In this paper, a mathematical model is developed to qualitatively simulate the progressive time-evolution of a blast from a simple firework. Estimates are made for the blast radius that one can expect for a given amount of detonation energy and pyrotechnic display material. The model balances the released energy from the initial blast pulse with the subsequent kinetic energy and then computes the trajectory of the material under the influence of the drag from the surrounding air, gravity and possible buoyancy. Under certain simplifying assumptions, the model can be solved for analytically. The solution serves as a guide to identifying key parameters that control the evolving blast envelope. Three-dimensional examples are given. PMID:26997903

System analysis with improved thermo-mechanical fuel rod models for modeling current and advanced LWR materials in accident scenarios

NASA Astrophysics Data System (ADS)

Porter, Ian Edward

A nuclear reactor systems code has the ability to model the system response in an accident scenario based on known initial conditions at the onset of the transient. However, there has been a tendency for these codes to lack the detailed thermo-mechanical fuel rod response models needed for accurate prediction of fuel rod failure. This proposed work will couple today's most widely used steady-state (FRAPCON) and transient (FRAPTRAN) fuel rod models with a systems code TRACE for best-estimate modeling of system response in accident scenarios such as a loss of coolant accident (LOCA). In doing so, code modifications will be made to model gamma heating in LWRs during steady-state and accident conditions and to improve fuel rod thermal/mechanical analysis by allowing axial nodalization of burnup-dependent phenomena such as swelling, cladding creep and oxidation. With the ability to model both burnup-dependent parameters and transient fuel rod response, a fuel dispersal study will be conducted using a hypothetical accident scenario under both PWR and BWR conditions to determine the amount of fuel dispersed under varying conditions. Due to the fuel fragmentation size and internal rod pressure both being dependent on burnup, this analysis will be conducted at beginning, middle and end of cycle to examine the effects that cycle time can play on fuel rod failure and dispersal. Current fuel rod and system codes used by the Nuclear Regulatory Commission (NRC) are compilations of legacy codes with only commonly used light water reactor materials, Uranium Dioxide (UO2), Mixed Oxide (U/PuO 2) and zirconium alloys. However, the events at Fukushima Daiichi and Three Mile Island accident have shown the need for exploration into advanced materials possessing improved accident tolerance. This work looks to further modify the NRC codes to include silicon carbide (SiC), an advanced cladding material proposed by current DOE funded research on accident tolerant fuels (ATF). Several additional fuels will also be analyzed, including uranium nitride (UN), uranium carbide (UC) and uranium silicide (U3Si2). Focusing on the system response in an accident scenario, an emphasis is placed on the fracture mechanics of the ceramic cladding by design the fuel rods to eliminate pellet cladding mechanical interaction (PCMI). The time to failure and how much of the fuel in the reactor fails with an advanced fuel design will be analyzed and compared to the current UO2/Zircaloy design using a full scale reactor model.

Development of a Mechanistic-Based Healing Model for Self-Healing Glass Seals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Wei; Stephens, Elizabeth V.; Sun, Xin

Self-healing glass, a recent development of hermetic sealant materials, has the ability to effectively repair damage when heated to elevated temperatures; thus, able to extend its service life. Since crack healing morphological changes in the glass material are usually temperature and stress dependent, quantitative studies to determine the effects of thermo-mechanical conditions on the healing behavior of the self-healing glass sealants are extremely useful to accommodate the design and optimization of the sealing systems within SOFCs. The goal of this task is to develop a mechanistic-based healing model to quantify the stress and temperature dependent healing behavior. A two-step healingmore » mechanism was developed and implemented into finite element (FE) models through user-subroutines. Integrated experimental/kinetic Monte Carlo (kMC) simulation methodology was taken to calibrate the model parameters. The crack healing model is able to investigate the effects of various thermo-mechanical factors; therefore, able to determine the critical conditions under which the healing mechanism will be activated. Furthermore, the predicted results can be used to formulate the continuum damage-healing model and to assist the SOFC stack level simulations in predicting and evaluating the effectiveness and the performance of various engineering seal designs.« less

Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

NASA Astrophysics Data System (ADS)

Ward, Logan; Liu, Ruoqian; Krishna, Amar; Hegde, Vinay I.; Agrawal, Ankit; Choudhary, Alok; Wolverton, Chris

2017-07-01

While high-throughput density functional theory (DFT) has become a prevalent tool for materials discovery, it is limited by the relatively large computational cost. In this paper, we explore using DFT data from high-throughput calculations to create faster, surrogate models with machine learning (ML) that can be used to guide new searches. Our method works by using decision tree models to map DFT-calculated formation enthalpies to a set of attributes consisting of two distinct types: (i) composition-dependent attributes of elemental properties (as have been used in previous ML models of DFT formation energies), combined with (ii) attributes derived from the Voronoi tessellation of the compound's crystal structure. The ML models created using this method have half the cross-validation error and similar training and evaluation speeds to models created with the Coulomb matrix and partial radial distribution function methods. For a dataset of 435 000 formation energies taken from the Open Quantum Materials Database (OQMD), our model achieves a mean absolute error of 80 meV/atom in cross validation, which is lower than the approximate error between DFT-computed and experimentally measured formation enthalpies and below 15% of the mean absolute deviation of the training set. We also demonstrate that our method can accurately estimate the formation energy of materials outside of the training set and be used to identify materials with especially large formation enthalpies. We propose that our models can be used to accelerate the discovery of new materials by identifying the most promising materials to study with DFT at little additional computational cost.

Memory-dependent derivatives for photothermal semiconducting medium in generalized thermoelasticity with two-temperature

NASA Astrophysics Data System (ADS)

Lotfy, K.; Sarkar, N.

2017-11-01

In this work, a novel generalized model of photothermal theory with two-temperature thermoelasticity theory based on memory-dependent derivative (MDD) theory is performed. A one-dimensional problem for an elastic semiconductor material with isotropic and homogeneous properties has been considered. The problem is solved with a new model (MDD) under the influence of a mechanical force with a photothermal excitation. The Laplace transform technique is used to remove the time-dependent terms in the governing equations. Moreover, the general solutions of some physical fields are obtained. The surface taken into consideration is free of traction and subjected to a time-dependent thermal shock. The numerical Laplace inversion is used to obtain the numerical results of the physical quantities of the problem. Finally, the obtained results are presented and discussed graphically.

Research into material behaviour of the polymeric samples obtained after 3D-printing and subjected to compression test

NASA Astrophysics Data System (ADS)

Petrov, Mikhail A.; Kosatchyov, Nikolay V.; Petrov, Pavel A.

2016-10-01

The paper represents the results of the study concerning the investigation of the influence of the filling grade (material density) on the force characteristic during the uniaxial compression test of the cylindrical polymer probes produced by additive technology based on FDM. The authors have shown that increasing of the filling grate follows to the increase of the deformation forces. However, the dependency is not a linear function and characterized by soft-elastic model of material behaviour, which is typical for polymers partly crystallized structure.

Polarization dependence of laser interaction with carbon fibers and CFRP.

PubMed

Freitag, Christian; Weber, Rudolf; Graf, Thomas

2014-01-27

A key factor for laser materials processing is the absorptivity of the material at the laser wavelength, which determines the fraction of the laser energy that is coupled into the material. Based on the Fresnel equations, a theoretical model is used to determine the absorptivity for carbon fiber fabrics and carbon fiber reinforced plastics (CFRP). The surface of each carbon fiber is considered as multiple layers of concentric cylinders of graphite. With this the optical properties of carbon fibers and their composites can be estimated from the well-known optical properties of graphite.

A study on the temperature dependence of the threshold switching characteristics of Ge2Sb2Te5

NASA Astrophysics Data System (ADS)

Lee, Suyoun; Jeong, Doo Seok; Jeong, Jeung-hyun; Zhe, Wu; Park, Young-Wook; Ahn, Hyung-Woo; Cheong, Byung-ki

2010-01-01

We investigated the temperature dependence of the threshold switching characteristics of a memory-type chalcogenide material, Ge2Sb2Te5. We found that the threshold voltage (Vth) decreased linearly with temperature, implying the existence of a critical conductivity of Ge2Sb2Te5 for its threshold switching. In addition, we investigated the effect of bias voltage and temperature on the delay time (tdel) of the threshold switching of Ge2Sb2Te5 and described the measured relationship by an analytic expression which we derived based on a physical model where thermally activated hopping is a dominant transport mechanism in the material.

Utilization of accident databases and fuzzy sets to estimate frequency of HazMat transport accidents.

PubMed

Qiao, Yuanhua; Keren, Nir; Mannan, M Sam

2009-08-15

Risk assessment and management of transportation of hazardous materials (HazMat) require the estimation of accident frequency. This paper presents a methodology to estimate hazardous materials transportation accident frequency by utilizing publicly available databases and expert knowledge. The estimation process addresses route-dependent and route-independent variables. Negative binomial regression is applied to an analysis of the Department of Public Safety (DPS) accident database to derive basic accident frequency as a function of route-dependent variables, while the effects of route-independent variables are modeled by fuzzy logic. The integrated methodology provides the basis for an overall transportation risk analysis, which can be used later to develop a decision support system.

Degradation of lead-zirconate-titanate ceramics under different dc loads

NASA Astrophysics Data System (ADS)

Balke, Nina; Granzow, Torsten; Rödel, Jürgen

2009-05-01

During poling and application in actuators, piezoelectric ceramics like lead-zirconate-titanate are exposed to static or cyclically varying electric fields, often leading to pronounced changes in the electromechanical properties. These fatigue phenomena depend on time, peak electric load, and temperature. Although this process impacts the performance of many actuator materials, its physical understanding remains elusive. This paper proposes a set of key experiments to systematically investigate the changes in the ferroelectric hysteresis, field-dependent relative permittivity, and piezoelectric coefficient after submitting the material to dc loads of varying amplitude and duration. The observed effects are explained based on a model of domain stabilization due to charge accumulation at domain boundaries.

Spin-dependent dwell times of electron tunneling through double- and triple-barrier structures

NASA Astrophysics Data System (ADS)

Erić, Marko; Radovanović, Jelena; Milanović, Vitomir; Ikonić, Zoran; Indjin, Dragan

2008-04-01

We have analyzed the influence of Dresselhaus and Rashba spin-orbit couplings (caused by the bulk inversion asymmetry and the structural asymmetry, respectively) on electron tunneling through a double- and triple-barrier structures, with and without an externally applied electric field. The results indicate that the degree of structural asymmetry and external electric field can greatly affect the dwell times of electrons with opposite spin orientation. This opens up the possibilities of obtaining efficient spin separation in the time domain. The material system of choice is AlxGa1-xSb, and the presented model takes into account the position dependence of material parameters, as well as the effects of band nonparabolicity.

Etude fondamentale des mecanismes de gravure par plasma de materiaux de pointe: Application a la fabrication de dispositifs photoniques

NASA Astrophysics Data System (ADS)

Stafford, Luc

Advances in electronics and photonics critically depend upon plasma-based materials processing either for transferring small lithographic patterns into underlying materials (plasma etching) or for the growth of high-quality films. This thesis deals with the etching mechanisms of materials using high-density plasmas. The general objective of this work is to provide an original framework for the plasma-material interaction involved in the etching of advanced materials by putting the emphasis on complex oxides such as SrTiO3, (Ba,Sr)TiO 3 and SrBi2Ta2O9 films. Based on a synthesis of the descriptions proposed by different authors to explain the etching characteristics of simple materials in noble and halogenated plasma mixtures, we propose comprehensive rate models for physical and chemical plasma etching processes. These models have been successfully validated using experimental data published in literature for Si, Pt, W, SiO2 and ZnO. As an example, we have been able to adequately describe the simultaneous dependence of the etch rate on ion and reactive neutral fluxes and on the ion energy. From an exhaustive experimental investigation of the plasma and etching properties, we have also demonstrated that the validity of the proposed models can be extended to complex oxides such as SrTiO3, (Ba,Sr)TiO 3 and SrBi2Ta2O9 films. We also reported for the first time physical aspects involved in plasma etching such as the influence of the film microstructural properties on the sputter-etch rate and the influence of the positive ion composition on the ion-assisted desorption dynamics. Finally, we have used our deep investigation of the etching mechanisms of STO films and the resulting excellent control of the etch rate to fabricate a ridge waveguide for photonic device applications. Keywords: plasma etching, sputtering, adsorption and desorption dynamics, high-density plasmas, plasma diagnostics, advanced materials, photonic applications.

A model for complex flows of soft glassy materials with application to flows through fixed fiber beds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarkar, Arijit; Koch, Donald L., E-mail: dlk15@cornell.edu

2015-11-15

The soft glassy rheology (SGR) model has successfully described the time dependent simple shear rheology of a broad class of complex fluids including foams, concentrated emulsions, colloidal glasses, and solvent-free nanoparticle-organic hybrid materials (NOHMs). The model considers a distribution of mesoscopic fluid elements that hop from trap to trap at a rate which is enhanced by the work done to strain the fluid element. While an SGR fluid has a broad exponential distribution of trap energies, the rheology of NOHMs is better described by a narrower energy distribution and we consider both types of trap energy distributions in this study.more » We introduce a tensorial version of these models with a hopping rate that depends on the orientation of the element relative to the mean stress field, allowing a range of relative strengths of the extensional and simple shear responses of the fluid. As an application of these models we consider the flow of a soft glassy material through a dilute fixed bed of fibers. The dilute fixed bed exhibits a range of local linear flows which alternate in a chaotic manner with time in a Lagrangian reference frame. It is amenable to an analytical treatment and has been used to characterize the strong flow response of many complex fluids including fiber suspensions, dilute polymer solutions and emulsions. We show that the accumulated strain in the fluid elements has an abrupt nonlinear growth at a Deborah number of order one in a manner similar to that observed for polymer solutions. The exponential dependence of the hopping rate on strain leads to a fluid element deformation that grows logarithmically with Deborah number at high Deborah numbers. SGR fluids having a broad range of trap energies flowing through fixed beds can exhibit a range of rheological behaviors at small Deborah numbers ranging from a yield stress, to a power law response and finally to Newtonian behavior.« less

Multi-scale modeling of microstructure dependent intergranular brittle fracture using a quantitative phase-field based method

DOE PAGES

Chakraborty, Pritam; Zhang, Yongfeng; Tonks, Michael R.

2015-12-07

In this study, the fracture behavior of brittle materials is strongly influenced by their underlying microstructure that needs explicit consideration for accurate prediction of fracture properties and the associated scatter. In this work, a hierarchical multi-scale approach is pursued to model microstructure sensitive brittle fracture. A quantitative phase-field based fracture model is utilized to capture the complex crack growth behavior in the microstructure and the related parameters are calibrated from lower length scale atomistic simulations instead of engineering scale experimental data. The workability of this approach is demonstrated by performing porosity dependent intergranular fracture simulations in UO 2 and comparingmore » the predictions with experiments.« less

Multi-scale modeling of microstructure dependent intergranular brittle fracture using a quantitative phase-field based method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chakraborty, Pritam; Zhang, Yongfeng; Tonks, Michael R.

In this study, the fracture behavior of brittle materials is strongly influenced by their underlying microstructure that needs explicit consideration for accurate prediction of fracture properties and the associated scatter. In this work, a hierarchical multi-scale approach is pursued to model microstructure sensitive brittle fracture. A quantitative phase-field based fracture model is utilized to capture the complex crack growth behavior in the microstructure and the related parameters are calibrated from lower length scale atomistic simulations instead of engineering scale experimental data. The workability of this approach is demonstrated by performing porosity dependent intergranular fracture simulations in UO 2 and comparingmore » the predictions with experiments.« less

A 2-DOF microstructure-dependent model for the coupled torsion/bending instability of rotational nanoscanner

NASA Astrophysics Data System (ADS)

Keivani, M.; Abadian, N.; Koochi, A.; Mokhtari, J.; Abadyan, M.

2016-10-01

It has been well established that the physical performance of nanodevices might be affected by the microstructure. Herein, a two-degree-of-freedom model base on the modified couple stress theory is developed to incorporate the impact of microstructure in the torsion/bending coupled instability of rotational nanoscanner. Effect of microstructure dependency on the instability parameters is determined as a function of the microstructure parameter, bending/torsion coupling ratio, van der Waals force parameter and geometrical dimensions. It is found that the bending/torsion coupling substantially affects the stable behavior of the scanners especially those with long rotational beam elements. Impact of microstructure on instability voltage of the nanoscanner depends on coupling ratio and the conquering bending mode over torsion mode. This effect is more highlighted for higher values of coupling ratio. Depending on the geometry and material characteristics, the presented model is able to simulate both hardening behavior (due to microstructure) and softening behavior (due to torsion/bending coupling) of the nanoscanners.

Temperature-Dependent Implicit-Solvent Model of Polyethylene Glycol in Aqueous Solution.

PubMed

Chudoba, Richard; Heyda, Jan; Dzubiella, Joachim

2017-12-12

A temperature (T)-dependent coarse-grained (CG) Hamiltonian of polyethylene glycol/oxide (PEG/PEO) in aqueous solution is reported to be used in implicit-solvent material models in a wide temperature (i.e., solvent quality) range. The T-dependent nonbonded CG interactions are derived from a combined "bottom-up" and "top-down" approach. The pair potentials calculated from atomistic replica-exchange molecular dynamics simulations in combination with the iterative Boltzmann inversion are postrefined by benchmarking to experimental data of the radius of gyration. For better handling and a fully continuous transferability in T-space, the pair potentials are conveniently truncated and mapped to an analytic formula with three structural parameters expressed as explicit continuous functions of T. It is then demonstrated that this model without further adjustments successfully reproduces other experimentally known key thermodynamic properties of semidilute PEG solutions such as the full equation of state (i.e., T-dependent osmotic pressure) for various chain lengths as well as their cloud point (or collapse) temperature.

Modeling of Metal-Ferroelectric-Semiconductor Field Effect Transistors

NASA Technical Reports Server (NTRS)

Duen Ho, Fat; Macleod, Todd C.

1998-01-01

The characteristics for a MFSFET (metal-ferroelectric-semiconductor field effect transistor) is very different than a conventional MOSFET and must be modeled differently. The drain current has a hysteresis shape with respect to the gate voltage. The position along the hysteresis curve is dependent on the last positive or negative polling of the ferroelectric material. The drain current also has a logarithmic decay after the last polling. A model has been developed to describe the MFSFET drain current for both gate voltage on and gate voltage off conditions. This model takes into account the hysteresis nature of the MFSFET and the time dependent decay. The model is based on the shape of the Fermi-Dirac function which has been modified to describe the MFSFET's drain current. This is different from the model proposed by Chen et. al. and that by Wu.

A hydrostatic stress-dependent anisotropic model of viscoplasticity

NASA Technical Reports Server (NTRS)

Robinson, D. N.; Tao, Q.; Verrilli, M. J.

1994-01-01

A hydrostatic stress-dependent, anisotropic model of viscoplasticity is formulated as an extension of Bodner's model. This represents a further extension of the isotropic Bodner model over that made to anisotropy by Robinson and MitiKavuma. Account is made of the inelastic deformation that can occur in metallic composites under hydrostatic stress. A procedure for determining the material parameters is identified that is virtually identical to the established characterization procedure for the original Bodner model. Characterization can be achieved using longitudinal/transverse tensile and shear tests and hydrostatic stress tests; alternatively, four off-axis tensile tests can be used. Conditions for a yield stress minimum under off-axis tension are discussed. The model is applied to a W/Cu composite; characterization is made using off-axis tensile data generated at NASA Lewis Research Center (LeRC).

Molecular dynamic simulation for nanometric cutting of single-crystal face-centered cubic metals.

PubMed

Huang, Yanhua; Zong, Wenjun

2014-01-01

In this work, molecular dynamics simulations are performed to investigate the influence of material properties on the nanometric cutting of single crystal copper and aluminum with a diamond cutting tool. The atomic interactions in the two metallic materials are modeled by two sets of embedded atom method (EAM) potential parameters. Simulation results show that although the plastic deformation of the two materials is achieved by dislocation activities, the deformation behavior and related physical phenomena, such as the machining forces, machined surface quality, and chip morphology, are significantly different for different materials. Furthermore, the influence of material properties on the nanometric cutting has a strong dependence on the operating temperature.

A Generalized Orthotropic Elasto-Plastic Material Model for Impact Analysis

NASA Astrophysics Data System (ADS)

Hoffarth, Canio

Composite materials are now beginning to provide uses hitherto reserved for metals in structural systems such as airframes and engine containment systems, wraps for repair and rehabilitation, and ballistic/blast mitigation systems. These structural systems are often subjected to impact loads and there is a pressing need for accurate prediction of deformation, damage and failure. There are numerous material models that have been developed to analyze the dynamic impact response of polymer matrix composites. However, there are key features that are missing in those models that prevent them from providing accurate predictive capabilities. In this dissertation, a general purpose orthotropic elasto-plastic computational constitutive material model has been developed to predict the response of composites subjected to high velocity impacts. The constitutive model is divided into three components - deformation model, damage model and failure model, with failure to be added at a later date. The deformation model generalizes the Tsai-Wu failure criteria and extends it using a strain-hardening-based orthotropic yield function with a non-associative flow rule. A strain equivalent formulation is utilized in the damage model that permits plastic and damage calculations to be uncoupled and capture the nonlinear unloading and local softening of the stress-strain response. A diagonal damage tensor is defined to account for the directionally dependent variation of damage. However, in composites it has been found that loading in one direction can lead to damage in multiple coordinate directions. To account for this phenomena, the terms in the damage matrix are semi-coupled such that the damage in a particular coordinate direction is a function of the stresses and plastic strains in all of the coordinate directions. The overall framework is driven by experimental tabulated temperature and rate-dependent stress-strain data as well as data that characterizes the damage matrix and failure. The developed theory has been implemented in a commercial explicit finite element analysis code, LS-DYNARTM, as MAT213. Several verification and validation tests using a commonly available carbon-fiber composite, Toyobo's T800/F3900, have been carried and the results show that the theory and implementation are efficient, robust and accurate.

Development and assessment of atomistic models for predicting static friction coefficients

NASA Astrophysics Data System (ADS)

Jahangiri, Soran; Heverly-Coulson, Gavin S.; Mosey, Nicholas J.

2016-08-01

The friction coefficient relates friction forces to normal loads and plays a key role in fundamental and applied areas of science and technology. Despite its importance, the relationship between the friction coefficient and the properties of the materials forming a sliding contact is poorly understood. We illustrate how simple relationships regarding the changes in energy that occur during slip can be used to develop a quantitative model relating the friction coefficient to atomic-level features of the contact. The slip event is considered as an activated process and the load dependence of the slip energy barrier is approximated with a Taylor series expansion of the corresponding energies with respect to load. The resulting expression for the load-dependent slip energy barrier is incorporated in the Prandtl-Tomlinson (PT) model and a shear-based model to obtain expressions for friction coefficient. The results indicate that the shear-based model reproduces the static friction coefficients μs obtained from first-principles molecular dynamics simulations more accurately than the PT model. The ability of the model to provide atomistic explanations for differences in μs amongst different contacts is also illustrated. As a whole, the model is able to account for fundamental atomic-level features of μs, explain the differences in μs for different materials based on their properties, and might be also used in guiding the development of contacts with desired values of μs.

Survey of four damage models for concrete.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leelavanichkul, Seubpong; Brannon, Rebecca Moss

2009-08-01

Four conventional damage plasticity models for concrete, the Karagozian and Case model (K&C), the Riedel-Hiermaier-Thoma model (RHT), the Brannon-Fossum model (BF1), and the Continuous Surface Cap Model (CSCM) are compared. The K&C and RHT models have been used in commercial finite element programs many years, whereas the BF1 and CSCM models are relatively new. All four models are essentially isotropic plasticity models for which 'plasticity' is regarded as any form of inelasticity. All of the models support nonlinear elasticity, but with different formulations. All four models employ three shear strength surfaces. The 'yield surface' bounds an evolving set of elasticallymore » obtainable stress states. The 'limit surface' bounds stress states that can be reached by any means (elastic or plastic). To model softening, it is recognized that some stress states might be reached once, but, because of irreversible damage, might not be achievable again. In other words, softening is the process of collapse of the limit surface, ultimately down to a final 'residual surface' for fully failed material. The four models being compared differ in their softening evolution equations, as well as in their equations used to degrade the elastic stiffness. For all four models, the strength surfaces are cast in stress space. For all four models, it is recognized that scale effects are important for softening, but the models differ significantly in their approaches. The K&C documentation, for example, mentions that a particular material parameter affecting the damage evolution rate must be set by the user according to the mesh size to preserve energy to failure. Similarly, the BF1 model presumes that all material parameters are set to values appropriate to the scale of the element, and automated assignment of scale-appropriate values is available only through an enhanced implementation of BF1 (called BFS) that regards scale effects to be coupled to statistical variability of material properties. The RHT model appears to similarly support optional uncertainty and automated settings for scale-dependent material parameters. The K&C, RHT, and CSCM models support rate dependence by allowing the strength to be a function of strain rate, whereas the BF1 model uses Duvaut-Lion viscoplasticity theory to give a smoother prediction of transient effects. During softening, all four models require a certain amount of strain to develop before allowing significant damage accumulation. For the K&C, RHT, and CSCM models, the strain-to-failure is tied to fracture energy release, whereas a similar effect is achieved indirectly in the BF1 model by a time-based criterion that is tied to crack propagation speed.« less

Effects of Material Degradation on the Structural Integrity of Composite Materials: Experimental Investigation and Modeling of High Temperature Degradation Mechanisms

NASA Technical Reports Server (NTRS)

Cunningham, Ronan A.; McManus, Hugh L.

1996-01-01

It has previously been demonstrated that simple coupled reaction-diffusion models can approximate the aging behavior of PMR-15 resin subjected to different oxidative environments. Based on empirically observed phenomena, a model coupling chemical reactions, both thermal and oxidative, with diffusion of oxygen into the material bulk should allow simulation of the aging process. Through preliminary modeling techniques such as this it has become apparent that accurate analytical models cannot be created until the phenomena which cause the aging of these materials are quantified. An experimental program is currently underway to quantify all of the reaction/diffusion related mechanisms involved. The following contains a summary of the experimental data which has been collected through thermogravimetric analyses of neat PMR-15 resin, along with analytical predictions from models based on the empirical data. Thermogravimetric analyses were carried out in a number of different environments - nitrogen, air and oxygen. The nitrogen provides data for the purely thermal degradation mechanisms while those in air provide data for the coupled oxidative-thermal process. The intent here is to effectively subtract the nitrogen atmosphere data (assumed to represent only thermal reactions) from the air and oxygen atmosphere data to back-figure the purely oxidative reactions. Once purely oxidative (concentration dependent) reactions have been quantified it should then be possible to quantify the diffusion of oxygen into the material bulk.

Influence of disorder on transfer characteristics of organic electrochemical transistors

NASA Astrophysics Data System (ADS)

Friedlein, Jacob T.; Rivnay, Jonathan; Dunlap, David H.; McCulloch, Iain; Shaheen, Sean E.; McLeod, Robert R.; Malliaras, George G.

2017-07-01

Organic electrochemical transistors (OECTs) are receiving a great deal of attention as transducers of biological signals due to their high transconductance. A ubiquitous property of these devices is the non-monotonic dependence of transconductance on gate voltage. However, this behavior is not described by existing models. Using OECTs made of materials with different chemical and electrical properties, we show that this behavior arises from the influence of disorder on the electronic transport properties of the organic semiconductor and occurs even in the absence of contact resistance. These results imply that the non-monotonic transconductance is an intrinsic property of OECTs and cannot be eliminated by device design or contact engineering. Finally, we present a model based on the physics of electronic conduction in disordered materials. This model fits experimental transconductance curves and describes strategies for rational material design to improve OECT performance in sensing applications.

Computational model of soft tissues in the human upper airway.

PubMed

Pelteret, J-P V; Reddy, B D

2012-01-01

This paper presents a three-dimensional finite element model of the tongue and surrounding soft tissues with potential application to the study of sleep apnoea and of linguistics and speech therapy. The anatomical data was obtained from the Visible Human Project, and the underlying histological data was also extracted and incorporated into the model. Hyperelastic constitutive models were used to describe the material behaviour, and material incompressibility was accounted for. An active Hill three-element muscle model was used to represent the muscular tissue of the tongue. The neural stimulus for each muscle group was determined through the use of a genetic algorithm-based neural control model. The fundamental behaviour of the tongue under gravitational and breathing-induced loading is investigated. It is demonstrated that, when a time-dependent loading is applied to the tongue, the neural model is able to control the position of the tongue and produce a physiologically realistic response for the genioglossus.

Hydrocode modeling of the spallation process during hypervelocity impacts: Implications for the ejection of Martian meteorites

NASA Astrophysics Data System (ADS)

Kurosawa, Kosuke; Okamoto, Takaya; Genda, Hidenori

2018-02-01

Hypervelocity ejection of material by impact spallation is considered a plausible mechanism for material exchange between two planetary bodies. We have modeled the spallation process during vertical impacts over a range of impact velocities from 6 to 21 km/s using both grid- and particle-based hydrocode models. The Tillotson equations of state, which are able to treat the nonlinear dependence of density on pressure and thermal pressure in strongly shocked matter, were used to study the hydrodynamic-thermodynamic response after impacts. The effects of material strength and gravitational acceleration were not considered. A two-dimensional time-dependent pressure field within a 1.5-fold projectile radius from the impact point was investigated in cylindrical coordinates to address the generation of spalled material. A resolution test was also performed to reject ejected materials with peak pressures that were too low due to artificial viscosity. The relationship between ejection velocity veject and peak pressure Ppeak was also derived. Our approach shows that "late-stage acceleration" in an ejecta curtain occurs due to the compressible nature of the ejecta, resulting in an ejection velocity that can be higher than the ideal maximum of the resultant particle velocity after passage of a shock wave. We also calculate the ejecta mass that can escape from a planet like Mars (i.e., veject > 5 km/s) that matches the petrographic constraints from Martian meteorites, and which occurs when Ppeak = 30-50 GPa. Although the mass of such ejecta is limited to 0.1-1 wt% of the projectile mass in vertical impacts, this is sufficient for spallation to have been a plausible mechanism for the ejection of Martian meteorites. Finally, we propose that impact spallation is a plausible mechanism for the generation of tektites.

Optimal Concentrations in Transport Networks

NASA Astrophysics Data System (ADS)

Jensen, Kaare; Savage, Jessica; Kim, Wonjung; Bush, John; Holbrook, N. Michele

2013-03-01

Biological and man-made systems rely on effective transport networks for distribution of material and energy. Mass flow in these networks is determined by the flow rate and the concentration of material. While the most concentrated solution offers the greatest potential for mass flow, impedance grows with concentration and thus makes it the most difficult to transport. The concentration at which mass flow is optimal depends on specific physical and physiological properties of the system. We derive a simple model which is able to predict optimal concentrations observed in blood flows, sugar transport in plants, and nectar feeding animals. Our model predicts that the viscosity at the optimal concentration μopt =2nμ0 is an integer power of two times the viscosity of the pure carrier medium μ0. We show how the observed powers 1 <= n <= 6 agree well with theory and discuss how n depends on biological constraints imposed on the transport process. The model provides a universal framework for studying flows impeded by concentration and provides hints of how to optimize engineered flow systems, such as congestion in traffic flows.

A simple model of hysteresis behavior using spreadsheet analysis

NASA Astrophysics Data System (ADS)

Ehrmann, A.; Blachowicz, T.

2015-01-01

Hysteresis loops occur in many scientific and technical problems, especially as field dependent magnetization of ferromagnetic materials, but also as stress-strain-curves of materials measured by tensile tests including thermal effects, liquid-solid phase transitions, in cell biology or economics. While several mathematical models exist which aim to calculate hysteresis energies and other parameters, here we offer a simple model for a general hysteretic system, showing different hysteresis loops depending on the defined parameters. The calculation which is based on basic spreadsheet analysis plus an easy macro code can be used by students to understand how these systems work and how the parameters influence the reactions of the system on an external field. Importantly, in the step-by-step mode, each change of the system state, compared to the last step, becomes visible. The simple program can be developed further by several changes and additions, enabling the building of a tool which is capable of answering real physical questions in the broad field of magnetism as well as in other scientific areas, in which similar hysteresis loops occur.

FE calculations on a three stage metal forming process of Sandvik Nanoflex™

NASA Astrophysics Data System (ADS)

Voncken, R. M. J.; van der Sluis, O.; Post, J.; Huétink, J.

2004-06-01

Sandvik Nanoflex™ combines good corrosion resistance with high strength. This steel has good deformability in austenitic conditions. It belongs to the group of metastable austenites, which means that during deformation a strain-induced transformation into martensite takes place. After deformation, transformation continues as a result of internal stresses. Both transformations are stress-state and temperature dependent. A constitutive model for this steel has been formulated, based on the macroscopic material behaviour measured by inductive measurements. Both the stress-assisted and the strain-induced transformation into martensite have been incorporated in this model. Path-dependent work hardening has also been taken into account. This article describes how the model is implemented in an internal Philips FE code called Crystal, which is a dedicated robust and accurate finite element solver. The implementation is based on lookup tables in combination with feed-forward neural networks. The radial return method is used to determine the material state during and after plastic flow, however, it has been extended to cope with the stiff character of the partial differential equation that describes the transformation behaviour.

Theory of friction based on brittle fracture

USGS Publications Warehouse

Byerlee, J.D.

1967-01-01

A theory of friction is presented that may be more applicable to geologic materials than the classic Bowden and Tabor theory. In the model, surfaces touch at the peaks of asperities and sliding occurs when the asperities fail by brittle fracture. The coefficient of friction, ??, was calculated from the strength of asperities of certain ideal shapes; for cone-shaped asperities, ?? is about 0.1 and for wedge-shaped asperities, ?? is about 0.15. For actual situations which seem close to the ideal model, observed ?? was found to be very close to 0.1, even for materials such as quartz and calcite with widely differing strengths. If surface forces are present, the theory predicts that ?? should decrease with load and that it should be higher in a vacuum than in air. In the presence of a fluid film between sliding surfaces, ?? should depend on the area of the surfaces in contact. Both effects are observed. The character of wear particles produced during sliding and the way in which ?? depends on normal load, roughness, and environment lend further support to the model of friction presented here. ?? 1967 The American Institute of Physics.

Modeling the glass transition of amorphous networks for shape-memory behavior

NASA Astrophysics Data System (ADS)

Xiao, Rui; Choi, Jinwoo; Lakhera, Nishant; Yakacki, Christopher M.; Frick, Carl P.; Nguyen, Thao D.

2013-07-01

In this paper, a thermomechanical constitutive model was developed for the time-dependent behaviors of the glass transition of amorphous networks. The model used multiple discrete relaxation processes to describe the distribution of relaxation times for stress relaxation, structural relaxation, and stress-activated viscous flow. A non-equilibrium thermodynamic framework based on the fictive temperature was introduced to demonstrate the thermodynamic consistency of the constitutive theory. Experimental and theoretical methods were developed to determine the parameters describing the distribution of stress and structural relaxation times and the dependence of the relaxation times on temperature, structure, and driving stress. The model was applied to study the effects of deformation temperatures and physical aging on the shape-memory behavior of amorphous networks. The model was able to reproduce important features of the partially constrained recovery response observed in experiments. Specifically, the model demonstrated a strain-recovery overshoot for cases programmed below Tg and subjected to a constant mechanical load. This phenomenon was not observed for materials programmed above Tg. Physical aging, in which the material was annealed for an extended period of time below Tg, shifted the activation of strain recovery to higher temperatures and increased significantly the initial recovery rate. For fixed-strain recovery, the model showed a larger overshoot in the stress response for cases programmed below Tg, which was consistent with previous experimental observations. Altogether, this work demonstrates how an understanding of the time-dependent behaviors of the glass transition can be used to tailor the temperature and deformation history of the shape-memory programming process to achieve more complex shape recovery pathways, faster recovery responses, and larger activation stresses.

Short hold times in dynamic vapor sorption measurements mischaracterize the equilibrium moisture content of wood

Treesearch

Samuel V. Glass; Charles R. Boardman; Samuel L. Zelinka

2017-01-01

Recently, the dynamic vapor sorption (DVS) technique has been used to measure sorption isotherms and develop moisture-mechanics models for wood and cellulosic materials. This method typically involves measuring the time-dependent mass response of a sample following step changes in relative humidity (RH), fitting a kinetic model to the data, and extrapolating the...

Human Brain Modeling with Its Anatomical Structure and Realistic Material Properties for Brain Injury Prediction.

PubMed

Atsumi, Noritoshi; Nakahira, Yuko; Tanaka, Eiichi; Iwamoto, Masami

2018-05-01

Impairments of executive brain function after traumatic brain injury (TBI) due to head impacts in traffic accidents need to be obviated. Finite element (FE) analyses with a human brain model facilitate understanding of the TBI mechanisms. However, conventional brain FE models do not suitably describe the anatomical structure in the deep brain, which is a critical region for executive brain function, and the material properties of brain parenchyma. In this study, for better TBI prediction, a novel brain FE model with anatomical structure in the deep brain was developed. The developed model comprises a constitutive model of brain parenchyma considering anisotropy and strain rate dependency. Validation was performed against postmortem human subject test data associated with brain deformation during head impact. Brain injury analyses were performed using head acceleration curves obtained from reconstruction analysis of rear-end collision with a human whole-body FE model. The difference in structure was found to affect the regions of strain concentration, while the difference in material model contributed to the peak strain value. The injury prediction result by the proposed model was consistent with the characteristics in the neuroimaging data of TBI patients due to traffic accidents.

Modeling micromechanical measurements of depth-varying properties with scanning acoustic microscopy

NASA Astrophysics Data System (ADS)

Marangos, Orestes; Misra, Anil

2018-02-01

Scanning acoustic microscopy (SAM) has been applied to measure the near-surface elastic properties of materials. For many substrates, the near-surface property is not constant but varies with depth. In this paper, we aim to interpret the SAM data from such substrates by modeling the interaction of the focused ultrasonic field with a substrate having a near-surface graded layer. The focused ultrasonic field solutions were represented as spherical harmonic expansions while the substrate solutions were represented as plane wave expansions. The bridging of the two solutions was achieved through the decomposition of the ultrasonic pressure fields in their angular spectra. Parametric studies were performed, which showed that near-surface graded layers exhibit distinctive frequency dependence of their reflectance functions. This behavior is characteristic to the material property gradation profile as well as the extent of the property gradation. The developed model was used to explain the frequency-dependent reflection coefficients measured from an acid-etched dentin substrate. Based on the model calculations, the elastic property variations of the acid-etched dentin near-surface indicate that the topmost part of the etched layer is very soft (3-6 GPa) and transitions to the native dentin through a depth of 27 and 36 microns.

High sensitivity spectroscopic and thermal characterization of cooling efficiency for optical refrigeration materials

NASA Astrophysics Data System (ADS)

Melgaard, Seth D.; Seletskiy, Denis V.; Di Lieto, Alberto; Tonelli, Mauro; Sheik-Bahae, Mansoor

2012-03-01

Since recent demonstration of cryogenic optical refrigeration, a need for reliable characterization tools of cooling performance of different materials is in high demand. We present our experimental apparatus that allows for temperature and wavelength dependent characterization of the materials' cooling efficiency and is based on highly sensitive spectral differencing technique or two-band differential spectral metrology (2B-DSM). First characterization of a 5% w.t. ytterbium-doped YLF crystal showed quantitative agreement with the current laser cooling model, as well as measured a minimum achievable temperature (MAT) at 110 K. Other materials and ion concentrations are also investigated and reported here.

Rapid Discovery of Tribological Materials with Improved Performance Using Materials Informatics

DTIC Science & Technology

2014-03-10

of New Solid State Lubricants The recursive portioning model illustrated in Fig. 3 has been applied to about 500 compounds from the FileMakerPro...neighboring cation. Based on this assumption, the large cationic charge of mineral compounds indicates the number of anions tends to be larger than the...The formation of bond types is highly dependent on the difference of electronegativity (EN) between the two elements in the compound . For instance

Multiscale modeling of interwoven Kevlar fibers based on random walk to predict yarn structural response

NASA Astrophysics Data System (ADS)

Recchia, Stephen

Kevlar is the most common high-end plastic filament yarn used in body armor, tire reinforcement, and wear resistant applications. Kevlar is a trade name for an aramid fiber. These are fibers in which the chain molecules are highly oriented along the fiber axis, so the strength of the chemical bond can be exploited. The bulk material is extruded into filaments that are bound together into yarn, which may be chorded with other materials as in car tires, woven into a fabric, or layered in an epoxy to make composite panels. The high tensile strength to low weight ratio makes this material ideal for designs that decrease weight and inertia, such as automobile tires, body panels, and body armor. For designs that use Kevlar, increasing the strength, or tenacity, to weight ratio would improve performance or reduce cost of all products that are based on this material. This thesis computationally and experimentally investigates the tenacity and stiffness of Kevlar yarns with varying twist ratios. The test boundary conditions were replicated with a geometrically accurate finite element model, resulting in a customized code that can reproduce tortuous filaments in a yarn was developed. The solid model geometry capturing filament tortuosity was implemented through a random walk method of axial geometry creation. A finite element analysis successfully recreated the yarn strength and stiffness dependency observed during the tests. The physics applied in the finite element model was reproduced in an analytical equation that was able to predict the failure strength and strain dependency of twist ratio. The analytical solution can be employed to optimize yarn design for high strength applications.

An Analytical Model of Tribocharging in Regolith

NASA Astrophysics Data System (ADS)

Carter, D. P.; Hartzell, C. M.

2015-12-01

Nongravitational forces, including electrostatic forces and cohesion, can drive the behavior of regolith in low gravity environments such as the Moon and asteroids. Regolith is the 'skin' of solid planetary bodies: it is the outer coating that is observed by orbiters and the first material contacted by landers. Triboelectric charging, the phenomenon by which electrical charge accumulates during the collision or rubbing of two surfaces, has been found to occur in initially electrically neutral granular mixtures. Although charge transfer is often attributed to chemical differences between the different materials, charge separation has also been found to occur in mixtures containing grains of a single material, but with a variety of grain sizes. In such cases, the charge always separates according to grain size; typically the smaller grains acquire a more negative charge than the larger grains. Triboelectric charging may occur in a variety of planetary phenomena (including mass wasting and dust storms) as well as during spacecraft-surface interactions (including sample collection and wheel motion). Interactions between charged grains or with the solar wind plasma could produce regolith motion. However, a validated, predictive model of triboelectric charging between dielectric grains has not yet been developed. A model for such size-dependent charge separation will be presented, demonstrating how random collisions between initially electrically neutral grains lead to net migration of electrons toward the smaller grains. The model is applicable to a wide range of single-material granular mixtures, including those with unusual or wildly varying size distributions, and suggests a possible mechanism for the reversal of the usual size-dependent charge polarity described above. This is a significant improvement over existing charge exchange models, which are restricted to two discrete grains sizes and provide severely limited estimates for charge magnitude. We will also discuss the design of an experiment planned to test the charging estimates provided by the model presented and the potential implications for our understanding of regolith behavior.

Estimation of transversely isotropic material properties from magnetic resonance elastography using the optimised virtual fields method.

PubMed

Miller, Renee; Kolipaka, Arunark; Nash, Martyn P; Young, Alistair A

2018-03-12

Magnetic resonance elastography (MRE) has been used to estimate isotropic myocardial stiffness. However, anisotropic stiffness estimates may give insight into structural changes that occur in the myocardium as a result of pathologies such as diastolic heart failure. The virtual fields method (VFM) has been proposed for estimating material stiffness from image data. This study applied the optimised VFM to identify transversely isotropic material properties from both simulated harmonic displacements in a left ventricular (LV) model with a fibre field measured from histology as well as isotropic phantom MRE data. Two material model formulations were implemented, estimating either 3 or 5 material properties. The 3-parameter formulation writes the transversely isotropic constitutive relation in a way that dissociates the bulk modulus from other parameters. Accurate identification of transversely isotropic material properties in the LV model was shown to be dependent on the loading condition applied, amount of Gaussian noise in the signal, and frequency of excitation. Parameter sensitivity values showed that shear moduli are less sensitive to noise than the other parameters. This preliminary investigation showed the feasibility and limitations of using the VFM to identify transversely isotropic material properties from MRE images of a phantom as well as simulated harmonic displacements in an LV geometry. Copyright © 2018 John Wiley & Sons, Ltd.

Size-dependent axisymmetric vibration of functionally graded circular plates in bifurcation/limit point instability

NASA Astrophysics Data System (ADS)

Ashoori, A. R.; Vanini, S. A. Sadough; Salari, E.

2017-04-01

In the present paper, vibration behavior of size-dependent functionally graded (FG) circular microplates subjected to thermal loading are carried out in pre/post-buckling of bifurcation/limit-load instability for the first time. Two kinds of frequently used thermal loading, i.e., uniform temperature rise and heat conduction across the thickness direction are considered. Thermo-mechanical material properties of FG plate are supposed to vary smoothly and continuously throughout the thickness based on power law model. Modified couple stress theory is exploited to describe the size dependency of microplate. The nonlinear governing equations of motion and associated boundary conditions are extracted through generalized form of Hamilton's principle and von-Karman geometric nonlinearity for the vibration analysis of circular FG plates including size effects. Ritz finite element method is then employed to construct the matrix representation of governing equations which are solved by two different strategies including Newton-Raphson scheme and cylindrical arc-length method. Moreover, in the following a parametric study is accompanied to examine the effects of the several parameters such as material length scale parameter, temperature distributions, type of buckling, thickness to radius ratio, boundary conditions and power law index on the dimensionless frequency of post-buckled/snapped size-dependent FG plates in detail. It is found that the material length scale parameter and thermal loading have a significant effect on vibration characteristics of size-dependent circular FG plates.

Correlating the internal length in strain gradient plasticity theory with the microstructure of material

NASA Astrophysics Data System (ADS)

Zhao, Jianfeng; Zhang, Xu; Konstantinidis, Avraam A.; Kang, Guozheng

2015-06-01

The internal length is the governing parameter in strain gradient theories which among other things have been used successfully to interpret size effects at the microscale. Physically, the internal length is supposed to be related with the microstructure of the material and evolves during the deformation. Based on Taylor hardening law, we propose a power-law relationship to describe the evolution of the variable internal length with strain. Then, the classical Fleck-Hutchinson strain gradient theory is extended with a strain-dependent internal length, and the generalized Fleck-Hutchinson theory is confirmed here, by comparing our model predictions to recent experimental data on tension and torsion of thin wires with varying diameter and grain size. Our work suggests that the internal length is a configuration-dependent parameter, closely related to dislocation characteristics and grain size, as well as sample geometry when this affects either the underlying microstructure or the ductility of the material.

Spatial Frequency Responses of Anisotropic Refractive Index Gratings Formed in Holographic Polymer Dispersed Liquid Crystals

PubMed Central

Fukuda, Yoshiaki; Tomita, Yasuo

2016-01-01

We report on an experimental investigation of spatial frequency responses of anisotropic transmission refractive index gratings formed in holographic polymer dispersed liquid crystals (HPDLCs). We studied two different types of HPDLC materials employing two different monomer systems: one with acrylate monomer capable of radical mediated chain-growth polymerizations and the other with thiol-ene monomer capable of step-growth polymerizations. It was found that the photopolymerization kinetics of the two HPDLC materials could be well explained by the autocatalytic model. We also measured grating-spacing dependences of anisotropic refractive index gratings at a recording wavelength of 532 nm. It was found that the HPDLC material with the thiol-ene monomer gave higher spatial frequency responses than that with the acrylate monomer. Statistical thermodynamic simulation suggested that such a spatial frequency dependence was attributed primarily to a difference in the size of formed liquid crystal droplets due to different photopolymerization mechanisms. PMID:28773314

Spatial Frequency Responses of Anisotropic Refractive Index Gratings Formed in Holographic Polymer Dispersed Liquid Crystals.

PubMed

Fukuda, Yoshiaki; Tomita, Yasuo

2016-03-10

We report on an experimental investigation of spatial frequency responses of anisotropic transmission refractive index gratings formed in holographic polymer dispersed liquid crystals (HPDLCs). We studied two different types of HPDLC materials employing two different monomer systems: one with acrylate monomer capable of radical mediated chain-growth polymerizations and the other with thiol-ene monomer capable of step-growth polymerizations. It was found that the photopolymerization kinetics of the two HPDLC materials could be well explained by the autocatalytic model. We also measured grating-spacing dependences of anisotropic refractive index gratings at a recording wavelength of 532 nm. It was found that the HPDLC material with the thiol-ene monomer gave higher spatial frequency responses than that with the acrylate monomer. Statistical thermodynamic simulation suggested that such a spatial frequency dependence was attributed primarily to a difference in the size of formed liquid crystal droplets due to different photopolymerization mechanisms.

The effect of priming materialism on women's responses to thin-ideal media.

PubMed

Ashikali, Eleni-Marina; Dittmar, Helga

2012-12-01

Consumer culture is characterized by two prominent ideals: the 'body perfect' and the material 'good life'. Although the impact of these ideals has been investigated in separate research literatures, no previous research has examined whether materialism is linked to women's responses to thin-ideal media. Data from several studies confirm that the internalization of materialistic and body-ideal values is positively linked in women. After developing a prime for materialism (N = 50), we present an experimental examination (N = 155) of the effects of priming materialism on women's responses to thin-ideal media, using multiple outcome measures of state body dissatisfaction. Priming materialism affects women's body dissatisfaction after exposure to thin media models, but differently depending on the dimension of body image measured. The two main novel findings are that (1) priming materialism heightens the centrality of appearance to women's self-concept and (2) priming materialism influences the activation of body-related self-discrepancies (BRSDs), particularly for highly materialistic women. Exposure to materialistic media has a clear influence on women's body image, with trait materialism a further vulnerability factor for negative exposure effects in response to idealized, thin media models. ©2011 The British Psychological Society.

Material model of pelvic bone based on modal analysis: a study on the composite bone.

PubMed

Henyš, Petr; Čapek, Lukáš

2017-02-01

Digital models based on finite element (FE) analysis are widely used in orthopaedics to predict the stress or strain in the bone due to bone-implant interaction. The usability of the model depends strongly on the bone material description. The material model that is most commonly used is based on a constant Young's modulus or on the apparent density of bone obtained from computer tomography (CT) data. The Young's modulus of bone is described in many experimental works with large variations in the results. The concept of measuring and validating the material model of the pelvic bone based on modal analysis is introduced in this pilot study. The modal frequencies, damping, and shapes of the composite bone were measured precisely by an impact hammer at 239 points. An FE model was built using the data pertaining to the geometry and apparent density obtained from the CT of the composite bone. The isotropic homogeneous Young's modulus and Poisson's ratio of the cortical and trabecular bone were estimated from the optimisation procedure including Gaussian statistical properties. The performance of the updated model was investigated through the sensitivity analysis of the natural frequencies with respect to the material parameters. The maximal error between the numerical and experimental natural frequencies of the bone reached 1.74 % in the first modal shape. Finally, the optimised parameters were matched with the data sheets of the composite bone. The maximal difference between the calibrated material properties and that obtained from the data sheet was 34 %. The optimisation scheme of the FE model based on the modal analysis data provides extremely useful calibration of the FE models with the uncertainty bounds and without the influence of the boundary conditions.

Comparison of Finite Element Modeling and Experimental Pressure Distribution in a Diamond Anvil Cell

NASA Astrophysics Data System (ADS)

Kondrat'yev, Andreiy I.; Murphy, Michael J.; Weir, Samuel T.; Vohra, Yogesh K.

2002-10-01

Ultra high pressures can be obtained in a Diamond Anvil Cell (DAC) device by optimizing the geometrical shape of diamond anvil and by use of high strength gasket materials. Radial pressure distribution in a diamond-coated rhenium gasket was measured by the micro-collimated X-ray diffraction techniques at NSLS, Brookhaven National Laboratory up to peak pressure of 220 GPa. The process of DAC compression was described by finite element analysis using NIKE-2D software. The mechanical properties of the diamond-coated gasket material were modeled and radial pressure distribution obtained was in good agreement with the experimental data. The calculated shear stress in diamond in the axial direction was shown to depend strongly on the yield strength of the gasket material and may limit the ultimate pressure that can be obtained with the use of high strength gasket materials. Supported by the National Science Foundation (NSF) Grant No. DMR-0203779.

Experimental study and modeling of atomic-scale friction in zigzag and armchair lattice orientations of MoS2

PubMed Central

Li, Meng; Shi, Jialin; Liu, Lianqing; Yu, Peng; Xi, Ning; Wang, Yuechao

2016-01-01

Abstract Physical properties of two-dimensional materials, such as graphene, black phosphorus, molybdenum disulfide (MoS2) and tungsten disulfide, exhibit significant dependence on their lattice orientations, especially for zigzag and armchair lattice orientations. Understanding of the atomic probe motion on surfaces with different orientations helps in the study of anisotropic materials. Unfortunately, there is no comprehensive model that can describe the probe motion mechanism. In this paper, we report a tribological study of MoS2 in zigzag and armchair orientations. We observed a characteristic power spectrum and friction force values. To explain our results, we developed a modified, two-dimensional, stick-slip Tomlinson model that allows simulation of the probe motion on MoS2 surfaces by combining the motion in the Mo layer and S layer. Our model fits well with the experimental data and provides a theoretical basis for tribological studies of two-dimensional materials. PMID:27877869

Micromechanics Fatigue Damage Analysis Modeling for Fabric Reinforced Ceramic Matrix Composites

NASA Technical Reports Server (NTRS)

Min, J. B.; Xue, D.; Shi, Y.

2013-01-01

A micromechanics analysis modeling method was developed to analyze the damage progression and fatigue failure of fabric reinforced composite structures, especially for the brittle ceramic matrix material composites. A repeating unit cell concept of fabric reinforced composites was used to represent the global composite structure. The thermal and mechanical properties of the repeating unit cell were considered as the same as those of the global composite structure. The three-phase micromechanics, the shear-lag, and the continuum fracture mechanics models were integrated with a statistical model in the repeating unit cell to predict the progressive damages and fatigue life of the composite structures. The global structure failure was defined as the loss of loading capability of the repeating unit cell, which depends on the stiffness reduction due to material slice failures and nonlinear material properties in the repeating unit cell. The present methodology is demonstrated with the analysis results evaluated through the experimental test performed with carbon fiber reinforced silicon carbide matrix plain weave composite specimens.

QM/QM approach to model energy disorder in amorphous organic semiconductors.

PubMed

Friederich, Pascal; Meded, Velimir; Symalla, Franz; Elstner, Marcus; Wenzel, Wolfgang

2015-02-10

It is an outstanding challenge to model the electronic properties of organic amorphous materials utilized in organic electronics. Computation of the charge carrier mobility is a challenging problem as it requires integration of morphological and electronic degrees of freedom in a coherent methodology and depends strongly on the distribution of polaron energies in the system. Here we represent a QM/QM model to compute the polaron energies combining density functional methods for molecules in the vicinity of the polaron with computationally efficient density functional based tight binding methods in the rest of the environment. For seven widely used amorphous organic semiconductor materials, we show that the calculations are accelerated up to 1 order of magnitude without any loss in accuracy. Considering that the quantum chemical step is the efficiency bottleneck of a workflow to model the carrier mobility, these results are an important step toward accurate and efficient disordered organic semiconductors simulations, a prerequisite for accelerated materials screening and consequent component optimization in the organic electronics industry.

A simplified orthotropic formulation of the viscoplasticity theory based on overstress

NASA Technical Reports Server (NTRS)

Sutcu, M.; Krempl, E.

1988-01-01

An orthotropic, small strain viscoplasticity theory based on overstress is presented. In each preferred direction the stress is composed of time (rate) independent (or plastic) and viscous (or rate dependent) contributions. Tension-compression asymmetry can depend on direction and is included in the model. Upon a proper choice of a material constant one preferred direction can exhibit linear elastic response while the other two deform in a viscoplastic manner.

Final Shape of Precision Molded Optics: Part 1 - Computational Approach, Material Definitions and the Effect of Lens Shape

DTIC Science & Technology

2012-05-15

subroutine by adding time-dependence to the thermal expansion coefficient. The user subroutine was written in Intel Visual Fortran that is compatible...temperature history dependent expansion and contraction, and the molds were modeled as elastic taking into account both mechanical and thermal strain. In...behavior was approximated by assuming the thermal coefficient of expansion to be a fourth order polynomial function of temperature. The authors

Implementation of Laminate Theory Into Strain Rate Dependent Micromechanics Analysis of Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.

2000-01-01

A research program is in progress to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to impact loads. Previously, strain rate dependent inelastic constitutive equations developed to model the polymer matrix were implemented into a mechanics of materials based micromechanics method. In the current work, the computation of the effective inelastic strain in the micromechanics model was modified to fully incorporate the Poisson effect. The micromechanics equations were also combined with classical laminate theory to enable the analysis of symmetric multilayered laminates subject to in-plane loading. A quasi-incremental trapezoidal integration method was implemented to integrate the constitutive equations within the laminate theory. Verification studies were conducted using an AS4/PEEK composite using a variety of laminate configurations and strain rates. The predicted results compared well with experimentally obtained values.

Bonded-cell model for particle fracture.

PubMed

Nguyen, Duc-Hanh; Azéma, Emilien; Sornay, Philippe; Radjai, Farhang

2015-02-01

Particle degradation and fracture play an important role in natural granular flows and in many applications of granular materials. We analyze the fracture properties of two-dimensional disklike particles modeled as aggregates of rigid cells bonded along their sides by a cohesive Mohr-Coulomb law and simulated by the contact dynamics method. We show that the compressive strength scales with tensile strength between cells but depends also on the friction coefficient and a parameter describing cell shape distribution. The statistical scatter of compressive strength is well described by the Weibull distribution function with a shape parameter varying from 6 to 10 depending on cell shape distribution. We show that this distribution may be understood in terms of percolating critical intercellular contacts. We propose a random-walk model of critical contacts that leads to particle size dependence of the compressive strength in good agreement with our simulation data.

The Effect of Semi-Brittle Rheology on the Seismicity at the Subduction Interface: Coseismic and Aseismic Events

NASA Astrophysics Data System (ADS)

Tong, X.; Lavier, L.

2017-12-01

Cold and warm subduction zones usually have different seismicity and tectonic structure. Aseismic events like episodic tremor and slip (ETS) and slow slip event (SSE) are often observed in warm and young slabs which typically have less megathrust seismicity and smaller seismogenic area (e.g. southwest Japan). On the other hand, cold and old slabs (e.g. Northeast Japan) have more megathrust events and larger seismogenic area and few aseismic events. Recent studies have try to model the differences in seismic behaviors with different approaches, includes rheological heterogeneity (e.g. frictional vs. viscous), petrological heterogeneity (e.g. hydration-dehydration process and mineral phase changes), and the frictional heterogeneity (e.g. rate-and-state dependent friction). Following previous works, we proposed a new model in which the subduction channel has a temperature dependent material assembly which composed of an explicit mixture of basalt/eclogite and mantle peridotite. Our model also take into account rate and state dependent friction and pore fluid pressure. Depending on the temperature, the basalt and peridotite mixture can behave either as an elastoplastic frictional or a Maxwell viscoelastic material. To model the mixture numerically, we use DynEarthSol3D (DES3D). DES3D is a robust, adaptive, multi-dimensional, finite element method solver which has a composite Elasto-Visco-Plastic rheology. We vary the temperature profile, the ratio of basalt vs. peridotite, the rheology of the mantle peridotites and the loading rate of the subduction interface. Over multiple earthquake cycles, our two end member experiments show that megathrust earthquakes are dominate the seismicity for cold condition (e.g. Japan trench) while both coseismic and aseismic events account for the seismicity for warm condition (e.g. Nankai trench).

A viscoelastic damage rheology and rate- and state-dependent friction

NASA Astrophysics Data System (ADS)

Lyakhovsky, Vladimir; Ben-Zion, Yehuda; Agnon, Amotz

2005-04-01

We analyse the relations between a viscoelastic damage rheology model and rate- and state-dependent (RS) friction. Both frameworks describe brittle deformation, although the former models localization zones in a deforming volume while the latter is associated with sliding on existing surfaces. The viscoelastic damage model accounts for evolving elastic properties and inelastic strain. The evolving elastic properties are related quantitatively to a damage state variable representing the local density of microcracks. Positive and negative changes of the damage variable lead, respectively, to degradation and recovery of the material in response to loading. A model configuration having an existing narrow zone with localized damage produces for appropriate loading and temperature-pressure conditions an overall cyclic stick-slip motion compatible with a frictional response. Each deformation cycle (limit cycle) can be divided into healing and weakening periods associated with decreasing and increasing damage, respectively. The direct effect of the RS friction and the magnitude of the frictional parameter a are related to material strengthening with increasing rate of loading. The strength and residence time of asperities (model elements) in the weakening stage depend on the rates of damage evolution and accumulation of irreversible strain. The evolutionary effect of the RS friction and overall change in the friction parameters (a-b) are controlled by the duration of the healing period and asperity (element) strengthening during this stage. For a model with spatially variable properties, the damage rheology reproduces the logarithmic dependency of the steady-state friction coefficient on the sliding velocity and the normal stress. The transition from a velocity strengthening regime to a velocity weakening one can be obtained by varying the rate of inelastic strain accumulation and keeping the other damage rheology parameters fixed. The developments unify previous damage rheology results on deformation localization leading to formation of new fault zones with detailed experimental results on frictional sliding. The results provide a route for extending the formulation of RS friction into a non-linear continuum mechanics framework.

A DACE study on a three stage metal forming process made of Sandvik Nanoflex™

NASA Astrophysics Data System (ADS)

Post, J.; Klaseboer, G.; Stinstra, E.; Huétink, J.

2004-06-01

Sandvik Nanoflex™ combines good corrosion resistance with high strength. The steel has good deformability in austenitic conditions. This material belongs to the group of metastable austenites, so during deformation a strain-induced transformation into martensite takes place. After deformation, the transformation continues as a result of internal residual stresses. Depending on the heat treatment, this stress-assisted transformation is more or less autocatalytic. Both transformations are stress-state, temperature and crystal orientation dependent. This article presents a constitutive model for this steel, based on the macroscopic material behaviour measured by inductive measurements. Both the stress-assisted and the strain-induced transformation to martensite are incorporated in this model. Path-dependent work hardening is also taken into account, together with the inheritance of the dislocations from one phase to the other. The model is implemented in an internal Philips code called CRYSTAL for doing simulations. A multi-stage metal forming process is simulated. The process consists of different forming steps with intervals between them to simulate the waiting time between the different metal forming steps. During the engineering process of a high precision metal formed product often questions arise about the relation between the scatter on the initial parameters, like standard deviation on the strip thickness, yield stress etc, and the product accuracy. This becomes even more complex if the material is: • instable, • the transformation rate depends on the stress state, which is related to friction, • the transformation rate depends on the temperature, which is related to deformation heat and the heat distribution during the entire process. A way to get more understanding in these phenomena in relation to the process is doing a process window study, using DACE (Design and Analysis of Computer Experiments). In this article an example is given how to make a DACE study on a a three stage metal forming process, using a distributed computing technique. The method is shown, together with some results. The problem is focused on the influence of the transformation rate, transformation plasticity and dilatation strain on the product accuracy.

Impact of physicochemical properties of porous silica materials conjugated with dexamethasone via pH-responsive hydrazone bond on drug loading and release behavior

NASA Astrophysics Data System (ADS)

Numpilai, Thanapha; Witoon, Thongthai; Chareonpanich, Metta; Limtrakul, Jumras

2017-02-01

The conjugation of dexamethasone (DEX) onto modified-porous silica materials via a pH-responsive hydrazone bond has been reported to be highly efficient method to specifically deliver the DEX to diseased sites. However, the influence of physicochemical properties of porous silica materials has not yet been fully understood. In this paper, the impact of pore sizes, particle sizes and silanol contents on surface functionalization, drug loading and release behavior of porous silica materials conjugated with dexamethasone via pH-responsive hydrazone bond was investigated. The grafting density was found to relate to the number of silanol groups on the surface of porous silica materials. The particle size and macropores of the porous silica materials played an vital role on the drug loading and release behavior. Although the porous silica materials with larger particle sizes possessed a lower grafting density, a larger amount of drug loading could be achieved. Moreover, the porous silica materials with larger particle sizes showed a slower release rate of DEX due to a longer distance for cleaved DEX diffusion out of pores. DEX release rate exhibited pH-dependent, sustained release. At pH 4.5, the amount of DEX release within 10 days could be controlled in the range of 12.74-36.41%, depending on the host material. Meanwhile, less than 1.5% of DEX was released from each of type of the porous silica materials at pH 7.4. The results of silica dissolution suggested that the degradation of silica matrix did not significantly affect the release rate of DEX. In addition, the kinetic modeling studies revealed that the DEX releases followed Korsmeyer-Peppas model with a release exponent (n) ranged from 0.3 to 0.47, indicating a diffusion-controlled release mechanism.

Effect of the Addition of a Labile Gelatin Component on the Degradation and Solute Release Kinetics of a Stable PEG Hydrogel

PubMed Central

Waldeck, H.; Kao, W. J.

2013-01-01

Characterization of the degradation mechanisms and resulting products of biodegradable materials is critical in understanding the behavior of the material including solute transport and biological response. Previous mathematical analyses of a semi-interpenetrating network (sIPN) containing both labile gelatin and a stable cross-linked poly(ethylene glycol) (PEG) network found that diffusion-based models alone were unable to explain the release kinetics of solutes from the system. In this study, degradation of the sIPN and its effect on solute release and swelling kinetics were investigated. The kinetics of the primary mode of degradation, gelatin dissolution, was dependent on temperature, preparation methods, PEGdA and gelatin concentration, and the weight ratio between the gelatin and PEG. The gelatin dissolution rate positively correlated with both matrix swelling and the release kinetics of high-molecular-weight model compound, FITC-dextran. Coupled with previous in vitro studies, the kinetics of sIPN degradation provided insights into the time-dependent changes in cellular response including adhesion and protein expression. These results provide a facile guide in material formulation to control the delivery of high-molecular-weight compounds with concomitant modulation of cellular behavior. PMID:21801489

Photochemistry of Aqueous C60 Clusters: Wavelength Dependency and Product Characterization

EPA Science Inventory

To construct accurate risk assessment models for engineered nanomaterials, there is urgent need for information on the reactivity (or conversely, persistence) and transformation pathways of these materials in the natural environment. As an important step toward addressing this is...

Transient Non Lin Deformation in Fractured Rock

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sartori, Enrico

1998-10-14

MATLOC is a nonlinear, transient, two-dimensional (planer and axisymmetric), thermal stress, finite-element code designed to determine the deformation within a fractured rock mass. The mass is modeled as a nonlinear anistropic elastic material which can exhibit stress-dependent bi-linear locking behavior.

Wave Propagation in Bimodular Geomaterials

NASA Astrophysics Data System (ADS)

Kuznetsova, Maria; Pasternak, Elena; Dyskin, Arcady; Pelinovsky, Efim

2016-04-01

Observations and laboratory experiments show that fragmented or layered geomaterials have the mechanical response dependent on the sign of the load. The most adequate model accounting for this effect is the theory of bimodular (bilinear) elasticity - a hyperelastic model with different elastic moduli for tension and compression. For most of geo- and structural materials (cohesionless soils, rocks, concrete, etc.) the difference between elastic moduli is such that their modulus in compression is considerably higher than that in tension. This feature has a profound effect on oscillations [1]; however, its effect on wave propagation has not been comprehensively investigated. It is believed that incorporation of bilinear elastic constitutive equations within theory of wave dynamics will bring a deeper insight to the study of mechanical behaviour of many geomaterials. The aim of this paper is to construct a mathematical model and develop analytical methods and numerical algorithms for analysing wave propagation in bimodular materials. Geophysical and exploration applications and applications in structural engineering are envisaged. The FEM modelling of wave propagation in a 1D semi-infinite bimodular material has been performed with the use of Marlow potential [2]. In the case of the initial load expressed by a harmonic pulse loading strong dependence on the pulse sign is observed: when tension is applied before compression, the phenomenon of disappearance of negative (compressive) strains takes place. References 1. Dyskin, A., Pasternak, E., & Pelinovsky, E. (2012). Periodic motions and resonances of impact oscillators. Journal of Sound and Vibration, 331(12), 2856-2873. 2. Marlow, R. S. (2008). A Second-Invariant Extension of the Marlow Model: Representing Tension and Compression Data Exactly. In ABAQUS Users' Conference.

Thermo-mechanical Modelling of Pebble Beds in Fusion Blankets and its Implementation by a Return-Mapping Algorithm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gan, Yixiang; Kamlah, Marc

In this investigation, a thermo-mechanical model of pebble beds is adopted and developed based on experiments by Dr. Reimann at Forschungszentrum Karlsruhe (FZK). The framework of the present material model is composed of a non-linear elastic law, the Drucker-Prager-Cap theory, and a modified creep law. Furthermore, the volumetric inelastic strain dependent thermal conductivity of beryllium pebble beds is taken into account and full thermo-mechanical coupling is considered. Investigation showed that the Drucker-Prager-Cap model implemented in ABAQUS can not fulfill the requirements of both the prediction of large creep strains and the hardening behaviour caused by creep, which are of importancemore » with respect to the application of pebble beds in fusion blankets. Therefore, UMAT (user defined material's mechanical behaviour) and UMATHT (user defined material's thermal behaviour) routines are used to re-implement the present thermo-mechanical model in ABAQUS. An elastic predictor radial return mapping algorithm is used to solve the non-associated plasticity iteratively, and a proper tangent stiffness matrix is obtained for cost-efficiency in the calculation. An explicit creep mechanism is adopted for the prediction of time-dependent behaviour in order to represent large creep strains in high temperature. Finally, the thermo-mechanical interactions are implemented in a UMATHT routine for the coupled analysis. The oedometric compression tests and creep tests of pebble beds at different temperatures are simulated with the help of the present UMAT and UMATHT routines, and the comparison between the simulation and the experiments is made. (authors)« less

Experimental Injury Biomechanics of the Pediatric Head and Brain

NASA Astrophysics Data System (ADS)

Margulies, Susan; Coats, Brittany

Traumatic brain injury (TBI) is a leading cause of death and disability among children and young adults in the United States and results in over 2,500 childhood deaths, 37,000 hospitalizations, and 435,000 emergency department visits each year (Langlois et al. 2004). Computational models of the head have proven to be powerful tools to help us understand mechanisms of adult TBI and to determine load thresholds for injuries specific to adult TBI. Similar models need to be developed for children and young adults to identify age-specific mechanisms and injury tolerances appropriate for children and young adults. The reliability of these tools, however, depends heavily on the availability of pediatric tissue material property data. To date the majority of material and structural properties used in pediatric computer models have been scaled from adult human data. Studies have shown significant age-related differences in brain and skull properties (Prange and Margulies 2002; Coats and Margulies 2006a, b), indicating that the pediatric head cannot be modeled as a miniature adult head, and pediatric computer models incorporating age-specific data are necessary to accurately mimic the pediatric head response to impact or rotation. This chapter details the developmental changes of the pediatric head and summarizes human pediatric properties currently available in the literature. Because there is a paucity of human pediatric data, material properties derived from animal tissue are also presented to demonstrate possible age-related differences in the heterogeneity and rate dependence of tissue properties. The chapter is divided into three main sections: (1) brain, meninges, and cerebral spinal fluid (CSF); (2) skull; and (3) scalp.

Quantitative model of super-Arrhenian behavior in glass forming materials

NASA Astrophysics Data System (ADS)

Caruthers, J. M.; Medvedev, G. A.

2018-05-01

The key feature of glass forming liquids is the super-Arrhenian temperature dependence of the mobility, where the mobility can increase by ten orders of magnitude or more as the temperature is decreased if crystallization does not intervene. A fundamental description of the super-Arrhenian behavior has been developed; specifically, the logarithm of the relaxation time is a linear function of 1 /U¯x , where U¯x is the independently determined excess molar internal energy and B is a material constant. This one-parameter mobility model quantitatively describes data for 21 glass forming materials, which are all the materials where there are sufficient experimental data for analysis. The effect of pressure on the loga mobility is also described using the same U¯x(T ,p ) function determined from the difference between the liquid and crystalline internal energies. It is also shown that B is well correlated with the heat of fusion. The prediction of the B /U¯x model is compared to the Adam and Gibbs 1 /T S¯x model, where the B /U¯x model is significantly better in unifying the full complement of mobility data. The implications of the B /U¯x model for the development of a fundamental description of glass are discussed.

Model for visualizing high energy laser (HEL) damage

NASA Astrophysics Data System (ADS)

Erten, Gail

2017-11-01

This paper describes and presents results from a model created in MATLAB® to calculate and display the time dependent temperature profile on a target aimpoint as it is being engaged by a high energy laser (HEL) beam. The model uses public domain information namely physics equations of heat conduction and phase changes and material properties such as thermal conductivity/diffusivity, latent heat, specific heat, melting and evaporation points as well as user input material type and thickness. The user also provides time varying characteristics of the HEL beam on the aimpoint, including beam size and intensity distribution (in Watts per centimeter square). The model calculates the temperature distribution at and around the aimpoint and also shows the phase changes of the aimpoint with the material first melting and then evaporating. User programmable features (selecting materials and thickness, erosion rates for melting) make the model highly versatile. The objective is to bridge the divide between remaining faithful to theoretical formulations such as the partial differential equations of heat conduction and at the same time serving practical concerns of the model user who needs to rapidly evaluate HEL thermal effects. One possible use of the tool is to assess lethality values of different aimpoints without costly (as well as often dangerous and destructive) experiments.

Constitutive modeling for isotropic materials

NASA Technical Reports Server (NTRS)

Chan, K. S.; Lindholm, U. S.; Bodner, S. R.

1988-01-01

The third and fourth years of a 4-year research program, part of the NASA HOST Program, are described. The program goals were: (1) to develop and validate unified constitutive models for isotropic materials, and (2) to demonstrate their usefulness for structural analysis of hot section components of gas turbine engines. The unified models selected for development and evaluation were those of Bodner-Partom and of Walker. The unified approach for elastic-viscoplastic constitutive equations is a viable method for representing and predicting material response characteristics in the range where strain rate and temperature dependent inelastic deformations are experienced. This conclusion is reached by extensive comparison of model calculations against the experimental results of a test program of two high temperature Ni-base alloys, B1900+Hf and Mar-M247, over a wide temperature range for a variety of deformation and thermal histories including uniaxial, multiaxial, and thermomechanical loading paths. The applicability of the Bodner-Partom and the Walker models for structural applications has been demonstrated by implementing these models into the MARC finite element code and by performing a number of analyses including thermomechanical histories on components of hot sections of gas turbine engines and benchmark notch tensile specimens. The results of the 4-year program have been published in four annual reports. The results of the base program are summarized in this report. The tasks covered include: (1) development of material test procedures, (2) thermal history effects, and (3) verification of the constitutive model for an alternative material.