material property models: Topics by Science.gov

Sample records for material property models

Application for managing model-based material properties for simulation-based engineering

DOEpatents

Hoffman, Edward L [Alameda, CA

2009-03-03

An application for generating a property set associated with a constitutive model of a material includes a first program module adapted to receive test data associated with the material and to extract loading conditions from the test data. A material model driver is adapted to receive the loading conditions and a property set and operable in response to the loading conditions and the property set to generate a model response for the material. A numerical optimization module is adapted to receive the test data and the model response and operable in response to the test data and the model response to generate the property set.
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.
Frequency Response of Synthetic Vocal Fold Models with Linear and Nonlinear Material Properties

ERIC Educational Resources Information Center

Shaw, Stephanie M.; Thomson, Scott L.; Dromey, Christopher; Smith, Simeon

2012-01-01

Purpose: The purpose of this study was to create synthetic vocal fold models with nonlinear stress-strain properties and to investigate the effect of linear versus nonlinear material properties on fundamental frequency (F[subscript 0]) during anterior-posterior stretching. Method: Three materially linear and 3 materially nonlinear models were…
Universal Fragment Descriptors for Predicting Electronic and Mechanical Properties of Inorganic Crystals

NASA Astrophysics Data System (ADS)

Oses, Corey; Isayev, Olexandr; Toher, Cormac; Curtarolo, Stefano; Tropsha, Alexander

Historically, materials discovery is driven by a laborious trial-and-error process. The growth of materials databases and emerging informatics approaches finally offer the opportunity to transform this practice into data- and knowledge-driven rational design-accelerating discovery of novel materials exhibiting desired properties. By using data from the AFLOW repository for high-throughput, ab-initio calculations, we have generated Quantitative Materials Structure-Property Relationship (QMSPR) models to predict critical materials properties, including the metal/insulator classification, band gap energy, and bulk modulus. The prediction accuracy obtained with these QMSPR models approaches training data for virtually any stoichiometric inorganic crystalline material. We attribute the success and universality of these models to the construction of new materials descriptors-referred to as the universal Property-Labeled Material Fragments (PLMF). This representation affords straightforward model interpretation in terms of simple heuristic design rules that could guide rational materials design. This proof-of-concept study demonstrates the power of materials informatics to dramatically accelerate the search for new materials.
Calibrating Nonlinear Soil Material Properties for Seismic Analysis Using Soil Material Properties Intended for Linear Analysis

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

Spears, Robert Edward; Coleman, Justin Leigh

2015-08-01

Seismic analysis of nuclear structures is routinely performed using guidance provided in “Seismic Analysis of Safety-Related Nuclear Structures and Commentary (ASCE 4, 1998).” This document, which is currently under revision, provides detailed guidance on linear seismic soil-structure-interaction (SSI) analysis of nuclear structures. To accommodate the linear analysis, soil material properties are typically developed as shear modulus and damping ratio versus cyclic shear strain amplitude. A new Appendix in ASCE 4-2014 (draft) is being added to provide guidance for nonlinear time domain SSI analysis. To accommodate the nonlinear analysis, a more appropriate form of the soil material properties includes shear stressmore » and energy absorbed per cycle versus shear strain. Ideally, nonlinear soil model material properties would be established with soil testing appropriate for the nonlinear constitutive model being used. However, much of the soil testing done for SSI analysis is performed for use with linear analysis techniques. Consequently, a method is described in this paper that uses soil test data intended for linear analysis to develop nonlinear soil material properties. To produce nonlinear material properties that are equivalent to the linear material properties, the linear and nonlinear model hysteresis loops are considered. For equivalent material properties, the shear stress at peak shear strain and energy absorbed per cycle should match when comparing the linear and nonlinear model hysteresis loops. Consequently, nonlinear material properties are selected based on these criteria.« less
Constitutive Modeling of Crosslinked Nanotube Materials

NASA Technical Reports Server (NTRS)

Odegard, G. M.; Frankland, S. J. V.; Herzog, M. N.; Gates, T. S.; Fay, C. C.

2004-01-01

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

PubMed

Bekesi, Nandor; Dorronsoro, Carlos; de la Hoz, Andrés; Marcos, Susana

2016-01-01

To validate a new method for reconstructing corneal biomechanical properties from air puff corneal deformation images using hydrogel polymer model corneas and porcine corneas. Air puff deformation imaging was performed on model eyes with artificial corneas made out of three different hydrogel materials with three different thicknesses and on porcine eyes, at constant intraocular pressure of 15 mmHg. The cornea air puff deformation was modeled using finite elements, and hyperelastic material parameters were determined through inverse modeling, minimizing the difference between the simulated and the measured central deformation amplitude and central-peripheral deformation ratio parameters. Uniaxial tensile tests were performed on the model cornea materials as well as on corneal strips, and the results were compared to stress-strain simulations assuming the reconstructed material parameters. The measured and simulated spatial and temporal profiles of the air puff deformation tests were in good agreement (< 7% average discrepancy). The simulated stress-strain curves of the studied hydrogel corneal materials fitted well the experimental stress-strain curves from uniaxial extensiometry, particularly in the 0-0.4 range. Equivalent Young´s moduli of the reconstructed material properties from air-puff were 0.31, 0.58 and 0.48 MPa for the three polymer materials respectively which differed < 1% from those obtained from extensiometry. The simulations of the same material but different thickness resulted in similar reconstructed material properties. The air-puff reconstructed average equivalent Young´s modulus of the porcine corneas was 1.3 MPa, within 18% of that obtained from extensiometry. Air puff corneal deformation imaging with inverse finite element modeling can retrieve material properties of model hydrogel polymer corneas and real corneas, which are in good correspondence with those obtained from uniaxial extensiometry, suggesting that this is a promising technique to retrieve quantitative corneal biomechanical properties.
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.
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.
Piezoresistivity, mechanisms and model of cement-based materials with CNT/NCB composite fillers

NASA Astrophysics Data System (ADS)

Zhang, Liqing; Ding, Siqi; Dong, Sufen; Li, Zhen; Ouyang, Jian; Yu, Xun; Han, Baoguo

2017-12-01

The use of conductive cement-based materials as sensors has attracted intense interest over past decades. In this paper, carbon nanotube (CNT)/nano carbon black (NCB) composite fillers made by electrostatic self-assembly are used to fabricate conductive cement-based materials. Electrical and piezoresistive properties of the fabricated cement-based materials are investigated. Effect of filler content, load amplitudes and rate on piezoresistive property within elastic regime and piezoresistive behaviors during compressive loading to destruction are explored. Finally, a model describing piezoresistive property of cement-based materials with CNT/NCB composite fillers is established based on the effective conductive path and tunneling effect theory. The research results demonstrate that filler content and load amplitudes have obvious effect on piezoresistive property of the composites materials, while load rate has little influence on piezoresistive property. During compressive loading to destruction, the composites also show sensitive piezoresistive property. Therefore, the cement-based composites can be used to monitor the health state of structures during their whole life. The built model can well describe the piezoresistive property of the composites during compressive loading to destruction. The good match between the model and experiment data indicates that tunneling effect actually contributes to piezoresistive phenomenon.
Quantifying the impact of material-model error on macroscale quantities-of-interest using multiscale a posteriori error-estimation techniques

DOE PAGES

Brown, Judith A.; Bishop, Joseph E.

2016-07-20

An a posteriori error-estimation framework is introduced to quantify and reduce modeling errors resulting from approximating complex mesoscale material behavior with a simpler macroscale model. Such errors may be prevalent when modeling welds and additively manufactured structures, where spatial variations and material textures may be present in the microstructure. We consider a case where a <100> fiber texture develops in the longitudinal scanning direction of a weld. Transversely isotropic elastic properties are obtained through homogenization of a microstructural model with this texture and are considered the reference weld properties within the error-estimation framework. Conversely, isotropic elastic properties are considered approximatemore » weld properties since they contain no representation of texture. Errors introduced by using isotropic material properties to represent a weld are assessed through a quantified error bound in the elastic regime. Lastly, an adaptive error reduction scheme is used to determine the optimal spatial variation of the isotropic weld properties to reduce the error bound.« less
Material Properties from Air Puff Corneal Deformation by Numerical Simulations on Model Corneas

PubMed Central

Dorronsoro, Carlos; de la Hoz, Andrés; Marcos, Susana

2016-01-01

Objective To validate a new method for reconstructing corneal biomechanical properties from air puff corneal deformation images using hydrogel polymer model corneas and porcine corneas. Methods Air puff deformation imaging was performed on model eyes with artificial corneas made out of three different hydrogel materials with three different thicknesses and on porcine eyes, at constant intraocular pressure of 15 mmHg. The cornea air puff deformation was modeled using finite elements, and hyperelastic material parameters were determined through inverse modeling, minimizing the difference between the simulated and the measured central deformation amplitude and central-peripheral deformation ratio parameters. Uniaxial tensile tests were performed on the model cornea materials as well as on corneal strips, and the results were compared to stress-strain simulations assuming the reconstructed material parameters. Results The measured and simulated spatial and temporal profiles of the air puff deformation tests were in good agreement (< 7% average discrepancy). The simulated stress-strain curves of the studied hydrogel corneal materials fitted well the experimental stress-strain curves from uniaxial extensiometry, particularly in the 0–0.4 range. Equivalent Young´s moduli of the reconstructed material properties from air-puff were 0.31, 0.58 and 0.48 MPa for the three polymer materials respectively which differed < 1% from those obtained from extensiometry. The simulations of the same material but different thickness resulted in similar reconstructed material properties. The air-puff reconstructed average equivalent Young´s modulus of the porcine corneas was 1.3 MPa, within 18% of that obtained from extensiometry. Conclusions Air puff corneal deformation imaging with inverse finite element modeling can retrieve material properties of model hydrogel polymer corneas and real corneas, which are in good correspondence with those obtained from uniaxial extensiometry, suggesting that this is a promising technique to retrieve quantitative corneal biomechanical properties. PMID:27792759
Materials used to simulate physical properties of human skin.

PubMed

Dąbrowska, A K; Rotaru, G-M; Derler, S; Spano, F; Camenzind, M; Annaheim, S; Stämpfli, R; Schmid, M; Rossi, R M

2016-02-01

For many applications in research, material development and testing, physical skin models are preferable to the use of human skin, because more reliable and reproducible results can be obtained. This article gives an overview of materials applied to model physical properties of human skin to encourage multidisciplinary approaches for more realistic testing and improved understanding of skin-material interactions. The literature databases Web of Science, PubMed and Google Scholar were searched using the terms 'skin model', 'skin phantom', 'skin equivalent', 'synthetic skin', 'skin substitute', 'artificial skin', 'skin replica', and 'skin model substrate.' Articles addressing material developments or measurements that include the replication of skin properties or behaviour were analysed. It was found that the most common materials used to simulate skin are liquid suspensions, gelatinous substances, elastomers, epoxy resins, metals and textiles. Nano- and micro-fillers can be incorporated in the skin models to tune their physical properties. While numerous physical skin models have been reported, most developments are research field-specific and based on trial-and-error methods. As the complexity of advanced measurement techniques increases, new interdisciplinary approaches are needed in future to achieve refined models which realistically simulate multiple properties of human skin. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.
Microfabrication of hierarchical structures for engineered mechanical materials

NASA Astrophysics Data System (ADS)

Vera Canudas, Marc

Materials found in nature present, in some cases, unique properties from their constituents that are of great interest in engineered materials for applications ranging from structural materials for the construction of bridges, canals and buildings to the fabrication of new lightweight composites for airplane and automotive bodies, to protective thin film coatings, amongst other fields. Research in the growing field of biomimetic materials indicates that the micro-architectures present in natural materials are critical to their macroscopic mechanical properties. A better understanding of the effect that structure and hierarchy across scales have on the material properties will enable engineered materials with enhanced properties. At the moment, very few theoretical models predict mechanical properties of simple materials based on their microstructures. Moreover these models are based on observations from complex biological systems. One way to overcome this challenge is through the use of microfabrication techniques to design and fabricate simple materials, more appropriate for the study of hierarchical organizations and microstructured materials. Arrays of structures with controlled geometry and dimension can be designed and fabricated at different length scales, ranging from a few hundred nanometers to centimeters, in order to mimic similar systems found in nature. In this thesis, materials have been fabricated in order to gain fundamental insight into the complex hierarchical materials found in nature and to engineer novel materials with enhanced mechanical properties. The materials fabricated here were mechanically characterized and compared to simple mechanics models to describe their behavior with the goal of applying the knowledge acquired to the design and synthesis of future engineered materials with novel properties.
MOlecular MAterials Property Prediction Package (MOMAP) 1.0: a software package for predicting the luminescent properties and mobility of organic functional materials

NASA Astrophysics Data System (ADS)

Niu, Yingli; Li, Wenqiang; Peng, Qian; Geng, Hua; Yi, Yuanping; Wang, Linjun; Nan, Guangjun; Wang, Dong; Shuai, Zhigang

2018-04-01

MOlecular MAterials Property Prediction Package (MOMAP) is a software toolkit for molecular materials property prediction. It focuses on luminescent properties and charge mobility properties. This article contains a brief descriptive introduction of key features, theoretical models and algorithms of the software, together with examples that illustrate the performance. First, we present the theoretical models and algorithms for molecular luminescent properties calculation, which includes the excited-state radiative/non-radiative decay rate constant and the optical spectra. Then, a multi-scale simulation approach and its algorithm for the molecular charge mobility are described. This approach is based on hopping model and combines with Kinetic Monte Carlo and molecular dynamics simulations, and it is especially applicable for describing a large category of organic semiconductors, whose inter-molecular electronic coupling is much smaller than intra-molecular charge reorganisation energy.
Quantify patient-specific coronary material property and its impact on stress/strain calculations using in vivo IVUS data and 3D FSI models: a pilot study

PubMed Central

Guo, Xiaoya; Zhu, Jian; Maehara, Akiko; Monoly, David; Samady, Habib; Wang, Liang; Billiar, Kristen L.; Zheng, Jie; Yang, Chun; Mintz, Gary S.; Giddens, Don P.; Tang, Dalin

2016-01-01

Computational models have been used to calculate plaque stress and strain for plaque progression and rupture investigations. An intravascular ultrasound (IVUS)-based modeling approach is proposed to quantify in vivo vessel material properties for more accurate stress/strain calculations. In vivo Cine IVUS and VH-IVUS coronary plaque data were acquired from one patient with informed consent obtained. Cine IVUS data and 3D thin-slice models with axial stretch were used to determine patient-specific vessel material properties. Twenty full 3D fluid–structure interaction models with ex vivo and in vivo material properties and various axial and circumferential shrink combinations were constructed to investigate the material stiffness impact on stress/strain calculations. The approximate circumferential Young’s modulus over stretch ratio interval [1.0, 1.1] for an ex vivo human plaque sample and two slices (S6 and S18) from our IVUS data were 1631, 641, and 346 kPa, respectively. Average lumen stress/strain values from models using ex vivo, S6 and S18 materials with 5 % axial shrink and proper circumferential shrink were 72.76, 81.37, 101.84 kPa and 0.0668, 0.1046, and 0.1489, respectively. The average cap strain values from S18 material models were 150–180 % higher than those from the ex vivo material models. The corresponding percentages for the average cap stress values were 50–75 %. Dropping axial and circumferential shrink consideration led to stress and strain over-estimations. In vivo vessel material properties may be considerably softer than those from ex vivo data. Material stiffness variations may cause 50–75 % stress and 150–180 % strain variations. PMID:27561649
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.
A three-dimensional inverse finite element analysis of the heel pad.

PubMed

Chokhandre, Snehal; Halloran, Jason P; van den Bogert, Antonie J; Erdemir, Ahmet

2012-03-01

Quantification of plantar tissue behavior of the heel pad is essential in developing computational models for predictive analysis of preventive treatment options such as footwear for patients with diabetes. Simulation based studies in the past have generally adopted heel pad properties from the literature, in return using heel-specific geometry with material properties of a different heel. In exceptional cases, patient-specific material characterization was performed with simplified two-dimensional models, without further evaluation of a heel-specific response under different loading conditions. The aim of this study was to conduct an inverse finite element analysis of the heel in order to calculate heel-specific material properties in situ. Multidimensional experimental data available from a previous cadaver study by Erdemir et al. ("An Elaborate Data Set Characterizing the Mechanical Response of the Foot," ASME J. Biomech. Eng., 131(9), pp. 094502) was used for model development, optimization, and evaluation of material properties. A specimen-specific three-dimensional finite element representation was developed. Heel pad material properties were determined using inverse finite element analysis by fitting the model behavior to the experimental data. Compression dominant loading, applied using a spherical indenter, was used for optimization of the material properties. The optimized material properties were evaluated through simulations representative of a combined loading scenario (compression and anterior-posterior shear) with a spherical indenter and also of a compression dominant loading applied using an elevated platform. Optimized heel pad material coefficients were 0.001084 MPa (μ), 9.780 (α) (with an effective Poisson's ratio (ν) of 0.475), for a first-order nearly incompressible Ogden material model. The model predicted structural response of the heel pad was in good agreement for both the optimization (<1.05% maximum tool force, 0.9% maximum tool displacement) and validation cases (6.5% maximum tool force, 15% maximum tool displacement). The inverse analysis successfully predicted the material properties for the given specimen-specific heel pad using the experimental data for the specimen. The modeling framework and results can be used for accurate predictions of the three-dimensional interaction of the heel pad with its surroundings.
Molecular modeling of polycarbonate materials: Glass transition and mechanical properties

NASA Astrophysics Data System (ADS)

Palczynski, Karol; Wilke, Andreas; Paeschke, Manfred; Dzubiella, Joachim

2017-09-01

Linking the experimentally accessible macroscopic properties of thermoplastic polymers to their microscopic static and dynamic properties is a key requirement for targeted material design. Classical molecular dynamics simulations enable us to study the structural and dynamic behavior of molecules on microscopic scales, and statistical physics provides a framework for relating these properties to the macroscopic properties. We take a first step toward creating an automated workflow for the theoretical prediction of thermoplastic material properties by developing an expeditious method for parameterizing a simple yet surprisingly powerful coarse-grained bisphenol-A polycarbonate model which goes beyond previous coarse-grained models and successfully reproduces the thermal expansion behavior, the glass transition temperature as a function of the molecular weight, and several elastic properties.
Predicting physical properties of emerging compounds with limited physical and chemical data: QSAR model uncertainty and applicability to military munitions.

PubMed

Bennett, Erin R; Clausen, Jay; Linkov, Eugene; Linkov, Igor

2009-11-01

Reliable, up-front information on physical and biological properties of emerging materials is essential before making a decision and investment to formulate, synthesize, scale-up, test, and manufacture a new material for use in both military and civilian applications. Multiple quantitative structure-activity relationships (QSARs) software tools are available for predicting a material's physical/chemical properties and environmental effects. Even though information on emerging materials is often limited, QSAR software output is treated without sufficient uncertainty analysis. We hypothesize that uncertainty and variability in material properties and uncertainty in model prediction can be too large to provide meaningful results. To test this hypothesis, we predicted octanol water partitioning coefficients (logP) for multiple, similar compounds with limited physical-chemical properties using six different commercial logP calculators (KOWWIN, MarvinSketch, ACD/Labs, ALogP, CLogP, SPARC). Analysis was done for materials with largely uncertain properties that were similar, based on molecular formula, to military compounds (RDX, BTTN, TNT) and pharmaceuticals (Carbamazepine, Gemfibrizol). We have also compared QSAR modeling results for a well-studied pesticide and pesticide breakdown product (Atrazine, DDE). Our analysis shows variability due to structural variations of the emerging chemicals may be several orders of magnitude. The model uncertainty across six software packages was very high (10 orders of magnitude) for emerging materials while it was low for traditional chemicals (e.g. Atrazine). Thus the use of QSAR models for emerging materials screening requires extensive model validation and coupling QSAR output with available empirical data and other relevant information.

A MULTISCALE FRAMEWORK FOR THE STOCHASTIC ASSIMILATION AND MODELING OF UNCERTAINTY ASSOCIATED NCF COMPOSITE MATERIALS

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

Mehrez, Loujaine; Ghanem, Roger; McAuliffe, Colin

multiscale framework to construct stochastic macroscopic constitutive material models is proposed. A spectral projection approach, specifically polynomial chaos expansion, has been used to construct explicit functional relationships between the homogenized properties and input parameters from finer scales. A homogenization engine embedded in Multiscale Designer, software for composite materials, has been used for the upscaling process. The framework is demonstrated using non-crimp fabric composite materials by constructing probabilistic models of the homogenized properties of a non-crimp fabric laminate in terms of the input parameters together with the homogenized properties from finer scales.
Statistical distribution of mechanical properties for three graphite-epoxy material systems

NASA Technical Reports Server (NTRS)

Reese, C.; Sorem, J., Jr.

1981-01-01

Graphite-epoxy composites are playing an increasing role as viable alternative materials in structural applications necessitating thorough investigation into the predictability and reproducibility of their material strength properties. This investigation was concerned with tension, compression, and short beam shear coupon testing of large samples from three different material suppliers to determine their statistical strength behavior. Statistical results indicate that a two Parameter Weibull distribution model provides better overall characterization of material behavior for the graphite-epoxy systems tested than does the standard Normal distribution model that is employed for most design work. While either a Weibull or Normal distribution model provides adequate predictions for average strength values, the Weibull model provides better characterization in the lower tail region where the predictions are of maximum design interest. The two sets of the same material were found to have essentially the same material properties, and indicate that repeatability can be achieved.
Characterization and modeling of an advanced flexible thermal protection material for space applications

NASA Technical Reports Server (NTRS)

Clayton, Joseph P.; Tinker, Michael L.

1991-01-01

This paper describes experimental and analytical characterization of a new flexible thermal protection material known as Tailorable Advanced Blanket Insulation (TABI). This material utilizes a three-dimensional ceramic fabric core structure and an insulation filler. TABI is the leading candidate for use in deployable aeroassisted vehicle designs. Such designs require extensive structural modeling, and the most significant in-plane material properties necessary for model development are measured and analytically verified in this study. Unique test methods are developed for damping measurements. Mathematical models are developed for verification of the experimental modulus and damping data, and finally, transverse properties are described in terms of the inplane properties through use of a 12-dof finite difference model of a simple TABI configuration.
Prediction of Fracture Behavior in Rock and Rock-like Materials Using Discrete Element Models

NASA Astrophysics Data System (ADS)

Katsaga, T.; Young, P.

2009-05-01

The study of fracture initiation and propagation in heterogeneous materials such as rock and rock-like materials are of principal interest in the field of rock mechanics and rock engineering. It is crucial to study and investigate failure prediction and safety measures in civil and mining structures. Our work offers a practical approach to predict fracture behaviour using discrete element models. In this approach, the microstructures of materials are presented through the combination of clusters of bonded particles with different inter-cluster particle and bond properties, and intra-cluster bond properties. The geometry of clusters is transferred from information available from thin sections, computed tomography (CT) images and other visual presentation of the modeled material using customized AutoCAD built-in dialog- based Visual Basic Application. Exact microstructures of the tested sample, including fractures, faults, inclusions and void spaces can be duplicated in the discrete element models. Although the microstructural fabrics of rocks and rock-like structures may have different scale, fracture formation and propagation through these materials are alike and will follow similar mechanics. Synthetic material provides an excellent condition for validating the modelling approaches, as fracture behaviours are known with the well-defined composite's properties. Calibration of the macro-properties of matrix material and inclusions (aggregates), were followed with the overall mechanical material responses calibration by adjusting the interfacial properties. The discrete element model predicted similar fracture propagation features and path as that of the real sample material. The path of the fractures and matrix-inclusion interaction was compared using computed tomography images. Initiation and fracture formation in the model and real material were compared using Acoustic Emission data. Analysing the temporal and spatial evolution of AE events, collected during the sample testing, in relation to the CT images allows the precise reconstruction of the failure sequence. Our proposed modelling approach illustrates realistic fracture formation and growth predictions at different loading conditions.
Impact Testing of Aluminum 2024 and Titanium 6Al-4V for Material Model Development

NASA Technical Reports Server (NTRS)

Pereira, J. Michael; Revilock, Duane M.; Lerch, Bradley A.; Ruggeri, Charles R.

2013-01-01

One of the difficulties with developing and verifying accurate impact models is that parameters such as high strain rate material properties, failure modes, static properties, and impact test measurements are often obtained from a variety of different sources using different materials, with little control over consistency among the different sources. In addition there is often a lack of quantitative measurements in impact tests to which the models can be compared. To alleviate some of these problems, a project is underway to develop a consistent set of material property, impact test data and failure analysis for a variety of aircraft materials that can be used to develop improved impact failure and deformation models. This project is jointly funded by the NASA Glenn Research Center and the FAA William J. Hughes Technical Center. Unique features of this set of data are that all material property data and impact test data are obtained using identical material, the test methods and procedures are extensively documented and all of the raw data is available. Four parallel efforts are currently underway: Measurement of material deformation and failure response over a wide range of strain rates and temperatures and failure analysis of material property specimens and impact test articles conducted by The Ohio State University; development of improved numerical modeling techniques for deformation and failure conducted by The George Washington University; impact testing of flat panels and substructures conducted by NASA Glenn Research Center. This report describes impact testing which has been done on aluminum (Al) 2024 and titanium (Ti) 6Al-4vanadium (V) sheet and plate samples of different thicknesses and with different types of projectiles, one a regular cylinder and one with a more complex geometry incorporating features representative of a jet engine fan blade. Data from this testing will be used in validating material models developed under this program. The material tests and the material models developed in this program will be published in separate reports.
Parameter identification of hyperelastic material properties of the heel pad based on an analytical contact mechanics model of a spherical indentation.

PubMed

Suzuki, Ryo; Ito, Kohta; Lee, Taeyong; Ogihara, Naomichi

2017-01-01

Accurate identification of the material properties of the plantar soft tissue is important for computer-aided analysis of foot pathologies and design of therapeutic footwear interventions based on subject-specific models of the foot. However, parameter identification of the hyperelastic material properties of plantar soft tissues usually requires an inverse finite element analysis due to the lack of a practical contact model of the indentation test. In the present study, we derive an analytical contact model of a spherical indentation test in order to directly estimate the material properties of the plantar soft tissue. Force-displacement curves of the heel pads are obtained through an indentation experiment. The experimental data are fit to the analytical stress-strain solution of the spherical indentation in order to obtain the parameters. A spherical indentation approach successfully predicted the non-linear material properties of the heel pad without iterative finite element calculation. The force-displacement curve obtained in the present study was found to be situated lower than those identified in previous studies. The proposed framework for identifying the hyperelastic material parameters may facilitate the development of subject-specific FE modeling of the foot for possible clinical and ergonomic applications. Copyright © 2016 Elsevier Ltd. All rights reserved.
Determination of orthotropic material properties by modal analysis

NASA Astrophysics Data System (ADS)

Lai, Junpeng

The methodology for determination of orthotropic material properties in plane stress condition will be presented. It is applied to orthotropic laminated plates like printed wiring boards. The first part of the thesis will focus on theories and methodologies. The static beam model and vibratory plate model is presented. The methods are validated by operating a series of test on aluminum. In the static tests, deflection and two directions of strain are measured, thus four of the properties will be identified: Ex, Ey, nuxy, nuyx. Moving on to dynamic test, the first ten modes' resonance frequencies are obtained. The technique of modal analysis is adopted. The measured data is processed by FFT and analyzed by curve fitting to extract natural frequencies and mode shapes. With the last material property to be determined, a finite element method using ANSYS is applied. Along with the identified material properties in static tests, and proper initial guess of the unknown shear modulus, an iterative process creates finite element model and conducts modal analysis with the updating model. When the modal analysis result produced by ANSYS matches the natural frequencies acquired by dynamic test, the process will halt. Then we obtained the last material property in plane stress condition.
Functionalized mesoporous materials for adsorption and release of different drug molecules: A comparative study

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

Wang Gang; Otuonye, Amy N.; Blair, Elizabeth A.

2009-07-15

The adsorption capacity and release properties of mesoporous materials for drug molecules can be improved by functionalizing their surfaces with judiciously chosen organic groups. Functionalized ordered mesoporous materials containing various types of organic groups via a co-condensation synthetic method from 15% organosilane and by post-grafting organosilanes onto a pre-made mesoporous silica were synthesized. Comparative studies of their adsorption and release properties for various model drug molecules were then conducted. Functional groups including 3-aminopropyl, 3-mercaptopropyl, vinyl, and secondary amine groups were used to functionalize the mesoporous materials while rhodamine 6G and ibuprofen were utilized to investigate the materials' relative adsorption andmore » release properties. The self-assembly of the mesoporous materials was carried out in the presence of cetyltrimethylammonium bromide (CTAB) surfactant, which produced MCM-41 type materials with pore diameters of {approx}2.7-3.3 nm and moderate to high surface areas up to {approx}1000 m{sup 2}/g. The different functional groups introduced into the materials dictated their adsorption capacity and release properties. While mercaptopropyl and vinyl functionalized samples showed high adsorption capacity for rhodamine 6G, amine functionalized samples exhibited higher adsorption capacity for ibuprofen. While the diffusional release of ibuprofen was fitted on the Fickian diffusion model, the release of rhodamine 6G followed Super Case-II transport model. - Graphical abstract: The adsorption capacity and release properties of mesoporous materials for various drug molecules are tuned by functionalizing the surfaces of the materials with judiciously chosen organic groups. This work reports comparative studies of the adsorption and release properties of functionalized ordered mesoporous materials containing different hydrophobic and hydrophilic groups that are synthesized via a co-condensation and post-grafting methods for various model drug molecules.« less
Macro-magnetic Modeling of the ARL Microelectromechanical System (MEMS) Flux Concentrator

DTIC Science & Technology

2011-09-01

are drawn as solid pieces and assigned the material properties of permalloy (nickel-iron [ NiFe ]) with a permeability of 5,000 as that is a value...energy densities, and saturation. The modeling process consists of drawing the objects of interest, assigning properties (coercivity, permeability...that is readily achieved in thin films of the material. The material properties assigned to this background are those of a vacuum, with a relative
Mechanical Properties of Air Plasma Sprayed Environmental Barrier Coating (EBC) Materials

NASA Technical Reports Server (NTRS)

Richards, Bradley; Zhu, Dongming; Ghosn, Louis; Wadley, Haydn

2015-01-01

Development work in Environmental Barrier Coatings (EBCs) for Ceramic Matrix Composites (CMCs) has focused considerably on the identification of materials systems and coating architectures to meet application needs. The evolution of these systems has occurred so quickly that modeling efforts and requisite data for modeling lag considerably behind development. Materials property data exists for many systems in the bulk form, but the effects of deposition on the critical properties of strength and fracture behavior are not well studied. We have plasma sprayed bulk samples of baseline EBC materials (silicon, ytterbium disilicate) and tested the mechanical properties of these materials to elicit differences in strength and toughness. We have also endeavored to assess the mixed-mode fracture resistance, Gc, of silicon in a baseline EBC applied to SiCSiC CMC via four point bend test. These results are compared to previously determined properties of the comparable bulk material.
Multi-modality gellan gum-based tissue-mimicking phantom with targeted mechanical, electrical, and thermal properties.

PubMed

Chen, Roland K; Shih, A J

2013-08-21

This study develops a new class of gellan gum-based tissue-mimicking phantom material and a model to predict and control the elastic modulus, thermal conductivity, and electrical conductivity by adjusting the mass fractions of gellan gum, propylene glycol, and sodium chloride, respectively. One of the advantages of gellan gum is its gelling efficiency allowing highly regulable mechanical properties (elastic modulus, toughness, etc). An experiment was performed on 16 gellan gum-based tissue-mimicking phantoms and a regression model was fit to quantitatively predict three material properties (elastic modulus, thermal conductivity, and electrical conductivity) based on the phantom material's composition. Based on these material properties and the regression model developed, tissue-mimicking phantoms of porcine spinal cord and liver were formulated. These gellan gum tissue-mimicking phantoms have the mechanical, thermal, and electrical properties approximately equivalent to those of the spinal cord and the liver.
A meta-model analysis of a finite element simulation for defining poroelastic properties of intervertebral discs.

PubMed

Nikkhoo, Mohammad; Hsu, Yu-Chun; Haghpanahi, Mohammad; Parnianpour, Mohamad; Wang, Jaw-Lin

2013-06-01

Finite element analysis is an effective tool to evaluate the material properties of living tissue. For an interactive optimization procedure, the finite element analysis usually needs many simulations to reach a reasonable solution. The meta-model analysis of finite element simulation can be used to reduce the computation of a structure with complex geometry or a material with composite constitutive equations. The intervertebral disc is a complex, heterogeneous, and hydrated porous structure. A poroelastic finite element model can be used to observe the fluid transferring, pressure deviation, and other properties within the disc. Defining reasonable poroelastic material properties of the anulus fibrosus and nucleus pulposus is critical for the quality of the simulation. We developed a material property updating protocol, which is basically a fitting algorithm consisted of finite element simulations and a quadratic response surface regression. This protocol was used to find the material properties, such as the hydraulic permeability, elastic modulus, and Poisson's ratio, of intact and degenerated porcine discs. The results showed that the in vitro disc experimental deformations were well fitted with limited finite element simulations and a quadratic response surface regression. The comparison of material properties of intact and degenerated discs showed that the hydraulic permeability significantly decreased but Poisson's ratio significantly increased for the degenerated discs. This study shows that the developed protocol is efficient and effective in defining material properties of a complex structure such as the intervertebral disc.
A method for subject-specific modelling and optimisation of the cushioning properties of insole materials used in diabetic footwear.

PubMed

Chatzistergos, Panagiotis E; Naemi, Roozbeh; Chockalingam, Nachiappan

2015-06-01

This study aims to develop a numerical method that can be used to investigate the cushioning properties of different insole materials on a subject-specific basis. Diabetic footwear and orthotic insoles play an important role for the reduction of plantar pressure in people with diabetes (type-2). Despite that, little information exists about their optimum cushioning properties. A new in-vivo measurement based computational procedure was developed which entails the generation of 2D subject-specific finite element models of the heel pad based on ultrasound indentation. These models are used to inverse engineer the material properties of the heel pad and simulate the contact between plantar soft tissue and a flat insole. After its validation this modelling procedure was utilised to investigate the importance of plantar soft tissue stiffness, thickness and loading for the correct selection of insole material. The results indicated that heel pad stiffness and thickness influence plantar pressure but not the optimum insole properties. On the other hand loading appears to significantly influence the optimum insole material properties. These results indicate that parameters that affect the loading of the plantar soft tissues such as body mass or a person's level of physical activity should be carefully considered during insole material selection. Copyright © 2015 IPEM. Published by Elsevier Ltd. All rights reserved.
Tissue material properties and computational modelling of the human tibiofemoral joint: a critical review

PubMed Central

Akhtar, Riaz; Comerford, Eithne J.; Bates, Karl T.

2018-01-01

Understanding how structural and functional alterations of individual tissues impact on whole-joint function is challenging, particularly in humans where direct invasive experimentation is difficult. Finite element (FE) computational models produce quantitative predictions of the mechanical and physiological behaviour of multiple tissues simultaneously, thereby providing a means to study changes that occur through healthy ageing and disease such as osteoarthritis (OA). As a result, significant research investment has been placed in developing such models of the human knee. Previous work has highlighted that model predictions are highly sensitive to the various inputs used to build them, particularly the mathematical definition of material properties of biological tissues. The goal of this systematic review is two-fold. First, we provide a comprehensive summation and evaluation of existing linear elastic material property data for human tibiofemoral joint tissues, tabulating numerical values as a reference resource for future studies. Second, we review efforts to model tibiofemoral joint mechanical behaviour through FE modelling with particular focus on how studies have sourced tissue material properties. The last decade has seen a renaissance in material testing fuelled by development of a variety of new engineering techniques that allow the mechanical behaviour of both soft and hard tissues to be characterised at a spectrum of scales from nano- to bulk tissue level. As a result, there now exists an extremely broad range of published values for human tibiofemoral joint tissues. However, our systematic review highlights gaps and ambiguities that mean quantitative understanding of how tissue material properties alter with age and OA is limited. It is therefore currently challenging to construct FE models of the knee that are truly representative of a specific age or disease-state. Consequently, recent tibiofemoral joint FE models have been highly generic in terms of material properties even relying on non-human data from multiple species. We highlight this by critically evaluating current ability to quantitatively compare and model (1) young and old and (2) healthy and OA human tibiofemoral joints. We suggest that future research into both healthy and diseased knee function will benefit greatly from a subject- or cohort-specific approach in which FE models are constructed using material properties, medical imagery and loading data from cohorts with consistent demographics and/or disease states. PMID:29379690
Tissue material properties and computational modelling of the human tibiofemoral joint: a critical review.

PubMed

Peters, Abby E; Akhtar, Riaz; Comerford, Eithne J; Bates, Karl T

2018-01-01

Understanding how structural and functional alterations of individual tissues impact on whole-joint function is challenging, particularly in humans where direct invasive experimentation is difficult. Finite element (FE) computational models produce quantitative predictions of the mechanical and physiological behaviour of multiple tissues simultaneously, thereby providing a means to study changes that occur through healthy ageing and disease such as osteoarthritis (OA). As a result, significant research investment has been placed in developing such models of the human knee. Previous work has highlighted that model predictions are highly sensitive to the various inputs used to build them, particularly the mathematical definition of material properties of biological tissues. The goal of this systematic review is two-fold. First, we provide a comprehensive summation and evaluation of existing linear elastic material property data for human tibiofemoral joint tissues, tabulating numerical values as a reference resource for future studies. Second, we review efforts to model tibiofemoral joint mechanical behaviour through FE modelling with particular focus on how studies have sourced tissue material properties. The last decade has seen a renaissance in material testing fuelled by development of a variety of new engineering techniques that allow the mechanical behaviour of both soft and hard tissues to be characterised at a spectrum of scales from nano- to bulk tissue level. As a result, there now exists an extremely broad range of published values for human tibiofemoral joint tissues. However, our systematic review highlights gaps and ambiguities that mean quantitative understanding of how tissue material properties alter with age and OA is limited. It is therefore currently challenging to construct FE models of the knee that are truly representative of a specific age or disease-state. Consequently, recent tibiofemoral joint FE models have been highly generic in terms of material properties even relying on non-human data from multiple species. We highlight this by critically evaluating current ability to quantitatively compare and model (1) young and old and (2) healthy and OA human tibiofemoral joints. We suggest that future research into both healthy and diseased knee function will benefit greatly from a subject- or cohort-specific approach in which FE models are constructed using material properties, medical imagery and loading data from cohorts with consistent demographics and/or disease states.
Electromagnetic Launch Vehicle Fairing and Acoustic Blanket Model of Received Power Using FEKO

NASA Technical Reports Server (NTRS)

Trout, Dawn H.; Stanley, James E.; Wahid, Parveen F.

2011-01-01

Evaluating the impact of radio frequency transmission in vehicle fairings is important to electromagnetically sensitive spacecraft. This study employs the multilevel fast multipole method (MLFMM) from a commercial electromagnetic tool, FEKO, to model the fairing electromagnetic environment in the presence of an internal transmitter with improved accuracy over industry applied techniques. This fairing model includes material properties representative of acoustic blanketing commonly used in vehicles. Equivalent surface material models within FEKO were successfully applied to simulate the test case. Finally, a simplified model is presented using Nicholson Ross Weir derived blanket material properties. These properties are implemented with the coated metal option to reduce the model to one layer within the accuracy of the original three layer simulation.
Finite Element Modeling of Passive Material Influence on the Deformation and Force Output of Skeletal Muscle

PubMed Central

Hodgson, John A.; Chi, Sheng-Wei; Yang, Judy P.; Chen, Jiun-Shyan; Edgerton, V. Reggie; Sinha, Shantanu

2014-01-01

The pattern of deformation of the different structural components of a muscle-tendon complex when it is activated provides important information about the internal mechanics of the muscle. Recent experimental observations of deformations in contracting muscle have presented inconsistencies with current widely held assumption about muscle behavior. These include negative strain in aponeuroses, non-uniform strain changes in sarcomeres, even of individual muscle fibers and evidence that muscle fiber cross sectional deformations are asymmetrical suggesting a need to readjust current models of contracting muscle. We report here our use of finite element modeling techniques to simulate a simple muscle-tendon complex and investigate the influence of passive intramuscular material properties upon the deformation patterns under isometric and shortening conditions. While phenomenological force-displacement relationships described the muscle fiber properties, the material properties of the passive matrix were varied to simulate a hydrostatic model, compliant and stiff isotropically hyperelastic models and an anisotropic elastic model. The numerical results demonstrate that passive elastic material properties significantly influence the magnitude, heterogeneity and distribution pattern of many measures of deformation in a contracting muscle. Measures included aponeurosis strain, aponeurosis separation, muscle fiber strain and fiber cross-sectional deformation. The force output of our simulations was strongly influenced by passive material properties, changing by as much as ~80% under some conditions. Maximum output was accomplished by introducing anisotropy along axes which were not strained significantly during a muscle length change, suggesting that correct costamere orientation may be a critical factor in optimal muscle function. Such a model not only fits known physiological data, but also maintains the relatively constant aponeurosis separation observed during in vivo muscle contractions and is easily extrapolated from our plane-strain conditions into a 3-dimensional structure. Such modeling approaches have the potential of explaining the reduction of force output consequent to changes in material properties of intramuscular materials arising in the diseased state such as in genetic disorders. PMID:22498294
Finite element modeling of passive material influence on the deformation and force output of skeletal muscle.

PubMed

Hodgson, John A; Chi, Sheng-Wei; Yang, Judy P; Chen, Jiun-Shyan; Edgerton, Victor R; Sinha, Shantanu

2012-05-01

The pattern of deformation of different structural components of a muscle-tendon complex when it is activated provides important information about the internal mechanics of the muscle. Recent experimental observations of deformations in contracting muscle have presented inconsistencies with current widely held assumption about muscle behavior. These include negative strain in aponeuroses, non-uniform strain changes in sarcomeres, even of individual muscle fibers and evidence that muscle fiber cross sectional deformations are asymmetrical suggesting a need to readjust current models of contracting muscle. We report here our use of finite element modeling techniques to simulate a simple muscle-tendon complex and investigate the influence of passive intramuscular material properties upon the deformation patterns under isometric and shortening conditions. While phenomenological force-displacement relationships described the muscle fiber properties, the material properties of the passive matrix were varied to simulate a hydrostatic model, compliant and stiff isotropically hyperelastic models and an anisotropic elastic model. The numerical results demonstrate that passive elastic material properties significantly influence the magnitude, heterogeneity and distribution pattern of many measures of deformation in a contracting muscle. Measures included aponeurosis strain, aponeurosis separation, muscle fiber strain and fiber cross-sectional deformation. The force output of our simulations was strongly influenced by passive material properties, changing by as much as ~80% under some conditions. The maximum output was accomplished by introducing anisotropy along axes which were not strained significantly during a muscle length change, suggesting that correct costamere orientation may be a critical factor in the optimal muscle function. Such a model not only fits known physiological data, but also maintains the relatively constant aponeurosis separation observed during in vivo muscle contractions and is easily extrapolated from our plane-strain conditions into a three-dimensional structure. Such modeling approaches have the potential of explaining the reduction of force output consequent to changes in material properties of intramuscular materials arising in the diseased state such as in genetic disorders. Copyright © 2012 Elsevier Ltd. All rights reserved.
Establishment of Low Energy Building materials and Equipment Database Based on Property Information

NASA Astrophysics Data System (ADS)

Kim, Yumin; Shin, Hyery; eon Lee, Seung

2018-03-01

The purpose of this study is to provide reliable service of materials information portal through the establishment of public big data by collecting and integrating scattered low energy building materials and equipment data. There were few cases of low energy building materials database in Korea have provided material properties as factors influencing material pricing. The framework of the database was defined referred with Korea On-line E-procurement system. More than 45,000 data were gathered by the specification of entities and with the gathered data, price prediction models for chillers were suggested. To improve the usability of the prediction model, detailed properties should be analysed for each item.
Effect of Material Ion Exchanges on the Mechanical Stiffness Properties and Shear Deformation of Hydrated Cement Material Chemistry Structure C-S-H Jennit - A Computational Modeling Study

DTIC Science & Technology

2014-01-01

Study Material properties and performance are governed by material molecular chemistry structures and molecular level interactions. Methods to...understand relationships between the material properties and performance and their correlation to the molecular level chemistry and morphology, and thus...find ways of manipulating and adjusting matters at the atomistic level in order to improve material performance are required. A computational material

Temperature dependent nonlinear metal matrix laminae behavior

NASA Technical Reports Server (NTRS)

Barrett, D. J.; Buesking, K. W.

1986-01-01

An analytical method is described for computing the nonlinear thermal and mechanical response of laminated plates. The material model focuses upon the behavior of metal matrix materials by relating the nonlinear composite response to plasticity effects in the matrix. The foundation of the analysis is the unidirectional material model which is used to compute the instantaneous properties of the lamina based upon the properties of the fibers and matrix. The unidirectional model assumes that the fibers properties are constant with temperature and assumes that the matrix can be modelled as a temperature dependent, bilinear, kinematically hardening material. An incremental approach is used to compute average stresses in the fibers and matrix caused by arbitrary mechanical and thermal loads. The layer model is incorporated in an incremental laminated plate theory to compute the nonlinear response of laminated metal matrix composites of general orientation and stacking sequence. The report includes comparisons of the method with other analytical approaches and compares theoretical calculations with measured experimental material behavior. A section is included which describes the limitations of the material model.
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.
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.
On the influence of frequency-dependent elastic properties in vibro-acoustic modelling of porous materials under structural excitation

NASA Astrophysics Data System (ADS)

Van der Kelen, C.; Göransson, P.; Pluymers, B.; Desmet, W.

2014-12-01

The aspects related to modelling the frequency dependence of the elastic properties of air-saturated porous materials have been largely neglected in the past for several reasons. For acoustic excitation of porous materials, the material behaviour can be quite well represented by models where the properties of the solid frame have little influence. Only recently has the importance of the dynamic moduli of the frame come into focus. This is related to a growing interest in the material behaviour due to structural excitation. Two aspects stand out in connection with the elastic-dynamic behaviour. The first is related to methods for the characterisation of the dynamic moduli of porous materials. The second is a perceived lack of numerical methods able to model the complex material behaviour under structural excitation, in particular at higher frequencies. In the current paper, experimental data from a panel under structural excitation, coated with a porous material, are presented. In an attempt to correlate the experimental data to numerical predictions, it is found that the measured quasi-static material parameters do not suffice for an accurate prediction of the measured results. The elastic material parameters are then estimated by correlating the numerical prediction to the experimental data, following the physical behaviour predicted by the augmented Hooke's law. The change in material behaviour due to the frequency-dependent properties is illustrated in terms of the propagation of the slow wave and the shear wave in the porous material.
EXPERIMENTAL MODELLING OF AORTIC ANEURYSMS

PubMed Central

Doyle, Barry J; Corbett, Timothy J; Cloonan, Aidan J; O’Donnell, Michael R; Walsh, Michael T; Vorp, David A; McGloughlin, Timothy M

2009-01-01

A range of silicone rubbers were created based on existing commercially available materials. These silicones were designed to be visually different from one another and have distinct material properties, in particular, ultimate tensile strengths and tear strengths. In total, eleven silicone rubbers were manufactured, with the materials designed to have a range of increasing tensile strengths from approximately 2-4MPa, and increasing tear strengths from approximately 0.45-0.7N/mm. The variations in silicones were detected using a standard colour analysis technique. Calibration curves were then created relating colour intensity to individual material properties. All eleven materials were characterised and a 1st order Ogden strain energy function applied. Material coefficients were determined and examined for effectiveness. Six idealised abdominal aortic aneurysm models were also created using the two base materials of the study, with a further model created using a new mixing technique to create a rubber model with randomly assigned material properties. These models were then examined using videoextensometry and compared to numerical results. Colour analysis revealed a statistically significant linear relationship (p<0.0009) with both tensile strength and tear strength, allowing material strength to be determined using a non-destructive experimental technique. The effectiveness of this technique was assessed by comparing predicted material properties to experimentally measured methods, with good agreement in the results. Videoextensometry and numerical modelling revealed minor percentage differences, with all results achieving significance (p<0.0009). This study has successfully designed and developed a range of silicone rubbers that have unique colour intensities and material strengths. Strengths can be readily determined using a non-destructive analysis technique with proven effectiveness. These silicones may further aid towards an improved understanding of the biomechanical behaviour of aneurysms using experimental techniques. PMID:19595622
Learning to Apply Models of Materials While Explaining Their Properties

ERIC Educational Resources Information Center

Karpin, Tiia; Juuti, Kalle; Lavonen, Jari

2014-01-01

Background: Applying structural models is important to chemistry education at the upper secondary level, but it is considered one of the most difficult topics to learn. Purpose: This study analyses to what extent in designed lessons students learned to apply structural models in explaining the properties and behaviours of various materials.…
Macro Scale Independently Homogenized Subcells for Modeling Braided Composites

NASA Technical Reports Server (NTRS)

Blinzler, Brina J.; Goldberg, Robert K.; Binienda, Wieslaw K.

2012-01-01

An analytical method has been developed to analyze the impact response of triaxially braided carbon fiber composites, including the penetration velocity and impact damage patterns. In the analytical model, the triaxial braid architecture is simulated by using four parallel shell elements, each of which is modeled as a laminated composite. Currently, each shell element is considered to be a smeared homogeneous material. The commercial transient dynamic finite element code LS-DYNA is used to conduct the simulations, and a continuum damage mechanics model internal to LS-DYNA is used as the material constitutive model. To determine the stiffness and strength properties required for the constitutive model, a top-down approach for determining the strength properties is merged with a bottom-up approach for determining the stiffness properties. The top-down portion uses global strengths obtained from macro-scale coupon level testing to characterize the material strengths for each subcell. The bottom-up portion uses micro-scale fiber and matrix stiffness properties to characterize the material stiffness for each subcell. Simulations of quasi-static coupon level tests for several representative composites are conducted along with impact simulations.
Microstructural and Morphological Factors Affecting Uncertainty in Small Scale Mechanical Properties

NASA Astrophysics Data System (ADS)

Maughan, Michael R.

If materials are to be developed from the ground up, the process will be dependent upon accurate and well-defined models of material behavior. These models can be closed-form solutions developed from first principles, simulations, or empirically derived equations, among others. Material behavior at the mesoscale is in general well understood, having had several centuries of study. However, behavior at the micro or nanoscale still requires characterization. Understanding the collective influence of the microstructure on the bulk material, for example with models like the Hall-Petch relation, has advanced our ability to manipulate the material to our advantage. We now have the ability to study not only the structure of the material, but also the material behavior and properties at the nanoscale. Understanding this behavior is critical to developing a framework for interpreting and utilizing these properties in materials design. This research aims to improve the fundamental understanding of the mechanical performance of materials and the subsequent variation in measured properties. The literature reports widely varying material properties such as hardness, elastic modulus, and yield point when measured at the nanoscale. Proposed variation mechanisms in these properties include surface preparation, error in measurement, heterogeneous dislocation density and distribution, crystal orientation, surface oxide film fracture, and others. Among other things, this work shows that these sources of variation can be determined and quantified, and that this information can be utilized as a characterization and/or predictive tool. The main goals of this work are to 1) continue basic research on sources of variation in the nanoscale properties of materials, specifically hardness and modulus in crystalline and glassy solids, 2) study the abrupt transition from elastic to plastic material behavior known as pop-in and resolve the problem of pseudo-elastic behavior prior to plasticity, and 3) integrate the sources of and propagate the variation into materials simulations, 4) study the influence of dislocation processes on indentation size effects, and 5) apply this learning to difficult to measure or interpret materials applications.
Analysis of speckle and material properties in laider tracer

NASA Astrophysics Data System (ADS)

Ross, Jacob W.; Rigling, Brian D.; Watson, Edward A.

2017-04-01

The SAL simulation tool Laider Tracer models speckle: the random variation in intensity of an incident light beam across a rough surface. Within Laider Tracer, the speckle field is modeled as a 2-D array of jointly Gaussian random variables projected via ray tracing onto the scene of interest. Originally, all materials in Laider Tracer were treated as ideal diffuse scatterers, for which the far-field return computed uses the Lambertian Bidirectional Reflectance Distribution Function (BRDF). As presented here, we implement material properties into Laider Tracer via the Non-conventional Exploitation Factors Data System: a database of properties for thousands of different materials sampled at various wavelengths and incident angles. We verify the intensity behavior as a function of incident angle after material properties are added to the simulation.
Materials Informatics: Statistical Modeling in Material Science.

PubMed

Yosipof, Abraham; Shimanovich, Klimentiy; Senderowitz, Hanoch

2016-12-01

Material informatics is engaged with the application of informatic principles to materials science in order to assist in the discovery and development of new materials. Central to the field is the application of data mining techniques and in particular machine learning approaches, often referred to as Quantitative Structure Activity Relationship (QSAR) modeling, to derive predictive models for a variety of materials-related "activities". Such models can accelerate the development of new materials with favorable properties and provide insight into the factors governing these properties. Here we provide a comparison between medicinal chemistry/drug design and materials-related QSAR modeling and highlight the importance of developing new, materials-specific descriptors. We survey some of the most recent QSAR models developed in materials science with focus on energetic materials and on solar cells. Finally we present new examples of material-informatic analyses of solar cells libraries produced from metal oxides using combinatorial material synthesis. Different analyses lead to interesting physical insights as well as to the design of new cells with potentially improved photovoltaic parameters. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Material Modeling of Stony Meteorites for Mechanical Properties

NASA Astrophysics Data System (ADS)

Agrawal, P.

2016-12-01

To assess the threat posed by an asteroid entering Earth's atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the asteroid material properties is needed to achieve this objective. At present, the meteorite material found on earth are the only objects (other than synthetic meteorites) from an entering asteroid that can be used as representative material and be tested inside a laboratory setting. Due to limited number of meteorites available for testing it is difficult to develop a material model that can be purely based on statistics from the test data. Therefore, we are developing computational models to determine the effective material properties of stony meteorites and in turn deduce the properties of asteroids. The internal structure of meteorites are very complex. They consists of several minerals that include the silica based materials such as Olivine, Pyroxene, Feldspar that are found in terrestrial rocks, as well as Fe-Ni based minerals such as Kamacite, Troilite and Taenite that are unique to meteorites. Each of these minerals have different densities and mechanical properties. In addition, the meteorites have different phases that can be summarized as chondrules, metal and matrix. The meteorites have varying degree of porosity and pre-cracked structure. In order to account for diverse petrology of the meteorites a unique methodology is developed the form of unit cell model. The unit cell is representative volume that accounts for diverse minerals, porosity, and matrix composition inside a meteorite. All the minerals and phases inside these unit cells are randomly distributed. Several hundreds of Monte-Carlo simulations are performed to generate the effective mechanical properties such as Young's Modulus and Poisson's Ratio of the unit cell. Stress-strain curves as well as strength estimates are generated based on the unit cell models. These estimates will used as material models for full scale modeling of atmospheric entry for asteroids. Terrestrial analogs such as Basalt and Gabbro are being used to validate the unit cell methodology. Structural tests are also being performed on some of the meteorites including Tamdakht and Mbole to validate the predictions from unit cell models.
In-vivo viscous properties of the heel pad by stress-relaxation experiment based on a spherical indentation.

PubMed

Suzuki, Ryo; Ito, Kohta; Lee, Taeyong; Ogihara, Naomichi

2017-12-01

Identifying the viscous properties of the plantar soft tissue is crucial not only for understanding the dynamic interaction of the foot with the ground during locomotion, but also for development of improved footwear products and therapeutic footwear interventions. In the present study, the viscous and hyperelastic material properties of the plantar soft tissue were experimentally identified using a spherical indentation test and an analytical contact model of the spherical indentation test. Force-relaxation curves of the heel pads were obtained from the indentation experiment. The curves were fit to the contact model incorporating a five-element Maxwell model to identify the viscous material parameters. The finite element method with the experimentally identified viscoelastic parameters could successfully reproduce the measured force-relaxation curves, indicating the material parameters were correctly estimated using the proposed method. Although there are some methodological limitations, the proposed framework to identify the viscous material properties may facilitate the development of subject-specific finite element modeling of the foot and other biological materials. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.
On the Use of Biaxial Properties in Modeling Annulus as a Holzapfel–Gasser–Ogden Material

PubMed Central

Momeni Shahraki, Narjes; Fatemi, Ali; Goel, Vijay K.; Agarwal, Anand

2015-01-01

Besides the biology, stresses and strains within the tissue greatly influence the location of damage initiation and mode of failure in an intervertebral disk. Finite element models of a functional spinal unit (FSU) that incorporate reasonably accurate geometry and appropriate material properties are suitable to investigate such issues. Different material models and techniques have been used to model the anisotropic annulus fibrosus, but the abilities of these models to predict damage initiation in the annulus and to explain clinically observed phenomena are unclear. In this study, a hyperelastic anisotropic material model for the annulus with two different sets of material constants, experimentally determined using uniaxial and biaxial loading conditions, were incorporated in a 3D finite element model of a ligamentous FSU. The purpose of the study was to highlight the biomechanical differences (e.g., intradiscal pressure, motion, forces, stresses, strains, etc.) due to the dissimilarity between the two sets of material properties (uniaxial and biaxial). Based on the analyses, the biaxial constants simulations resulted in better agreements with the in vitro and in vivo data, and thus are more suitable for future damage analysis and failure prediction of the annulus under complex multiaxial loading conditions. PMID:26090359
Frequency Response of Synthetic Vocal Fold Models with Linear and Nonlinear Material Properties

PubMed Central

Shaw, Stephanie M.; Thomson, Scott L.; Dromey, Christopher; Smith, Simeon

2014-01-01

Purpose The purpose of this study was to create synthetic vocal fold models with nonlinear stress-strain properties and to investigate the effect of linear versus nonlinear material properties on fundamental frequency during anterior-posterior stretching. Method Three materially linear and three materially nonlinear models were created and stretched up to 10 mm in 1 mm increments. Phonation onset pressure (Pon) and fundamental frequency (F0) at Pon were recorded for each length. Measurements were repeated as the models were relaxed in 1 mm increments back to their resting lengths, and tensile tests were conducted to determine the stress-strain responses of linear versus nonlinear models. Results Nonlinear models demonstrated a more substantial frequency response than did linear models and a more predictable pattern of F0 increase with respect to increasing length (although range was inconsistent across models). Pon generally increased with increasing vocal fold length for nonlinear models, whereas for linear models, Pon decreased with increasing length. Conclusions Nonlinear synthetic models appear to more accurately represent the human vocal folds than linear models, especially with respect to F0 response. PMID:22271874
Frequency response of synthetic vocal fold models with linear and nonlinear material properties.

PubMed

Shaw, Stephanie M; Thomson, Scott L; Dromey, Christopher; Smith, Simeon

2012-10-01

The purpose of this study was to create synthetic vocal fold models with nonlinear stress-strain properties and to investigate the effect of linear versus nonlinear material properties on fundamental frequency (F0) during anterior-posterior stretching. Three materially linear and 3 materially nonlinear models were created and stretched up to 10 mm in 1-mm increments. Phonation onset pressure (Pon) and F0 at Pon were recorded for each length. Measurements were repeated as the models were relaxed in 1-mm increments back to their resting lengths, and tensile tests were conducted to determine the stress-strain responses of linear versus nonlinear models. Nonlinear models demonstrated a more substantial frequency response than did linear models and a more predictable pattern of F0 increase with respect to increasing length (although range was inconsistent across models). Pon generally increased with increasing vocal fold length for nonlinear models, whereas for linear models, Pon decreased with increasing length. Nonlinear synthetic models appear to more accurately represent the human vocal folds than do linear models, especially with respect to F0 response.
Computer-Aided Process Model For Carbon/Phenolic Materials

NASA Technical Reports Server (NTRS)

Letson, Mischell A.; Bunker, Robert C.

1996-01-01

Computer program implements thermochemical model of processing of carbon-fiber/phenolic-matrix composite materials into molded parts of various sizes and shapes. Directed toward improving fabrication of rocket-engine-nozzle parts, also used to optimize fabrication of other structural components, and material-property parameters changed to apply to other materials. Reduces costs by reducing amount of laboratory trial and error needed to optimize curing processes and to predict properties of cured parts.
A general-purpose machine learning framework for predicting properties of inorganic materials

DOE PAGES

Ward, Logan; Agrawal, Ankit; Choudhary, Alok; ...

2016-08-26

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications, many more applications exist where machine learning can make a strong impact. To enable faster development of machine-learning-based models for such applications, we have created a framework capable of being applied to a broad range of materials data. Our method works by using a chemically diverse list of attributes, which we demonstrate are suitable for describing a wide variety of properties, and a novel method formore » partitioning the data set into groups of similar materials to boost the predictive accuracy. In this manuscript, we demonstrate how this new method can be used to predict diverse properties of crystalline and amorphous materials, such as band gap energy and glass-forming ability.« less
A general-purpose machine learning framework for predicting properties of inorganic materials

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

Ward, Logan; Agrawal, Ankit; Choudhary, Alok

A very active area of materials research is to devise methods that use machine learning to automatically extract predictive models from existing materials data. While prior examples have demonstrated successful models for some applications, many more applications exist where machine learning can make a strong impact. To enable faster development of machine-learning-based models for such applications, we have created a framework capable of being applied to a broad range of materials data. Our method works by using a chemically diverse list of attributes, which we demonstrate are suitable for describing a wide variety of properties, and a novel method formore » partitioning the data set into groups of similar materials to boost the predictive accuracy. In this manuscript, we demonstrate how this new method can be used to predict diverse properties of crystalline and amorphous materials, such as band gap energy and glass-forming ability.« less
Stress and Damage in Polymer Matrix Composite Materials Due to Material Degradation at High Temperatures

NASA Technical Reports Server (NTRS)

McManus, Hugh L.; Chamis, Christos C.

1996-01-01

This report describes analytical methods for calculating stresses and damage caused by degradation of the matrix constituent in polymer matrix composite materials. Laminate geometry, material properties, and matrix degradation states are specified as functions of position and time. Matrix shrinkage and property changes are modeled as functions of the degradation states. The model is incorporated into an existing composite mechanics computer code. Stresses, strains, and deformations at the laminate, ply, and micro levels are calculated, and from these calculations it is determined if there is failure of any kind. The rationale for the model (based on published experimental work) is presented, its integration into the laminate analysis code is outlined, and example results are given, with comparisons to existing material and structural data. The mechanisms behind the changes in properties and in surface cracking during long-term aging of polyimide matrix composites are clarified. High-temperature-material test methods are also evaluated.
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.
Phase-field Model for Interstitial Loop Growth Kinetics and Thermodynamic and Kinetic Models of Irradiated Fe-Cr Alloys

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

Li, Yulan; Hu, Shenyang Y.; Sun, Xin

2011-06-15

Microstructure evolution kinetics in irradiated materials has strongly spatial correlation. For example, void and second phases prefer to nucleate and grow at pre-existing defects such as dislocations, grain boundaries, and cracks. Inhomogeneous microstructure evolution results in inhomogeneity of microstructure and thermo-mechanical properties. Therefore, the simulation capability for predicting three dimensional (3-D) microstructure evolution kinetics and its subsequent impact on material properties and performance is crucial for scientific design of advanced nuclear materials and optimal operation conditions in order to reduce uncertainty in operational and safety margins. Very recently the meso-scale phase-field (PF) method has been used to predict gas bubblemore » evolution, void swelling, void lattice formation and void migration in irradiated materials,. Although most results of phase-field simulations are qualitative due to the lake of accurate thermodynamic and kinetic properties of defects, possible missing of important kinetic properties and processes, and the capability of current codes and computers for large time and length scale modeling, the simulations demonstrate that PF method is a promising simulation tool for predicting 3-D heterogeneous microstructure and property evolution, and providing microstructure evolution kinetics for higher scale level simulations of microstructure and property evolution such as mean field methods. This report consists of two parts. In part I, we will present a new phase-field model for predicting interstitial loop growth kinetics in irradiated materials. The effect of defect (vacancy/interstitial) generation, diffusion and recombination, sink strength, long-range elastic interaction, inhomogeneous and anisotropic mobility on microstructure evolution kinetics is taken into account in the model. The model is used to study the effect of elastic interaction on interstitial loop growth kinetics, the interstitial flux, and sink strength of interstitial loop for interstitials. In part II, we present a generic phase field model and discuss the thermodynamic and kinetic properties in phase-field models including the reaction kinetics of radiation defects and local free energy of irradiated materials. In particular, a two-sublattice thermodynamic model is suggested to describe the local free energy of alloys with irradiated defects. Fe-Cr alloy is taken as an example to explain the required thermodynamic and kinetic properties for quantitative phase-field modeling. Finally the great challenges in phase-field modeling will be discussed.« less
Determination of replicate composite bone material properties using modal analysis.

PubMed

Leuridan, Steven; Goossens, Quentin; Pastrav, Leonard; Roosen, Jorg; Mulier, Michiel; Denis, Kathleen; Desmet, Wim; Sloten, Jos Vander

2017-02-01

Replicate composite bones are used extensively for in vitro testing of new orthopedic devices. Contrary to tests with cadaveric bone material, which inherently exhibits large variability, they offer a standardized alternative with limited variability. Accurate knowledge of the composite's material properties is important when interpreting in vitro test results and when using them in FE models of biomechanical constructs. The cortical bone analogue material properties of three different fourth-generation composite bone models were determined by updating FE bone models using experimental and numerical modal analyses results. The influence of the cortical bone analogue material model (isotropic or transversely isotropic) and the inter- and intra-specimen variability were assessed. Isotropic cortical bone analogue material models failed to represent the experimental behavior in a satisfactory way even after updating the elastic material constants. When transversely isotropic material models were used, the updating procedure resulted in a reduction of the longitudinal Young's modulus from 16.00GPa before updating to an average of 13.96 GPa after updating. The shear modulus was increased from 3.30GPa to an average value of 3.92GPa. The transverse Young's modulus was lowered from an initial value of 10.00GPa to 9.89GPa. Low inter- and intra-specimen variability was found. Copyright © 2016 Elsevier Ltd. All rights reserved.
The in vivo plantar soft tissue mechanical property under the metatarsal head: implications of tissues׳ joint-angle dependent response in foot finite element modeling.

PubMed

Chen, Wen-Ming; Lee, Sung-Jae; Lee, Peter Vee Sin

2014-12-01

Material properties of the plantar soft tissue have not been well quantified in vivo (i.e., from life subjects) nor for areas other than the heel pad. This study explored an in vivo investigation of the plantar soft tissue material behavior under the metatarsal head (MTH). We used a novel device collecting indentation data at controlled metatarsophalangeal joint angles. Combined with inverse analysis, tissues׳ joint-angle dependent material properties were identified. The results showed that the soft tissue under MTH exhibited joint-angle dependent material responses, and the computed parameters using the Ogden material model were 51.3% and 30.9% larger in the dorsiflexed than in the neutral positions, respectively. Using derived parameters in subject-specific foot finite element models revealed only those models that used tissues׳ joint-dependent responses could reproduce the known plantar pressure pattern under the MTH. It is suggested that, to further improve specificity of the personalized foot finite element models, quantitative mechanical properties of the tissue inclusive of the effects of metatarsophalangeal joint dorsiflexion are needed. Copyright © 2014 Elsevier Ltd. All rights reserved.
Using Response Surface Methods to Correlate the Modal Test of an Inflatable Test Article

NASA Technical Reports Server (NTRS)

Gupta, Anju

2013-01-01

This paper presents a practical application of response surface methods (RSM) to correlate a finite element model of a structural modal test. The test article is a quasi-cylindrical inflatable structure which primarily consists of a fabric weave, with an internal bladder and metallic bulkheads on either end. To mitigate model size, the fabric weave was simplified by representing it with shell elements. The task at hand is to represent the material behavior of the weave. The success of the model correlation is measured by comparing the four major modal frequencies of the analysis model to the four major modal frequencies of the test article. Given that only individual strap material properties were provided and material properties of the overall weave were not available, defining the material properties of the finite element model became very complex. First it was necessary to determine which material properties (modulus of elasticity in the hoop and longitudinal directions, shear modulus, Poisson's ratio, etc.) affected the modal frequencies. Then a Latin Hypercube of the parameter space was created to form an efficiently distributed finite case set. Each case was then analyzed with the results input into RSM. In the resulting response surface it was possible to see how each material parameter affected the modal frequencies of the analysis model. If the modal frequencies of the analysis model and its corresponding parameters match the test with acceptable accuracy, it can be said that the model correlation is successful.
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
Effect of Interface Structure on Mechanical Properties of Advanced Composite Materials

PubMed Central

Gan, Yong X.

2009-01-01

This paper deals with the effect of interface structures on the mechanical properties of fiber reinforced composite materials. First, the background of research, development and applications on hybrid composite materials is introduced. Second, metal/polymer composite bonded structures are discussed. Then, the rationale is given for nanostructuring the interface in composite materials and structures by introducing nanoscale features such as nanopores and nanofibers. The effects of modifying matrices and nano-architecturing interfaces on the mechanical properties of nanocomposite materials are examined. A nonlinear damage model for characterizing the deformation behavior of polymeric nanocomposites is presented and the application of this model to carbon nanotube-reinforced and reactive graphite nanotube-reinforced epoxy composite materials is shown. PMID:20054466
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.
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.
Creep Behavior of ABS Polymer in Temperature-Humidity Conditions

NASA Astrophysics Data System (ADS)

An, Teagen; Selvaraj, Ramya; Hong, Seokmoo; Kim, Naksoo

2017-04-01

Acrylonitrile-Butadiene-Styrene (ABS), also known as a thermoplastic polymer, is extensively utilized for manufacturing home appliances products as it possess impressive mechanical properties, such as, resistance and toughness. However, the aforementioned properties are affected by operating temperature and atmosphere humidity due to the viscoelasticity property of an ABS polymer material. Moreover, the prediction of optimum working conditions are the little challenging task as it influences the final properties of product. This present study aims to develop the finite element (FE) models for predicting the creep behavior of an ABS polymeric material. In addition, the material constants, which represent the creep properties of an ABS polymer material, were predicted with the help of an interpolation function. Furthermore, a comparative study has been made with experiment and simulation results to verify the accuracy of developed FE model. The results showed that the predicted value from FE model could agree well with experimental data as well it can replicate the actual creep behavior flawlessly.
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.
A Viscoelastic Constitutive Model Can Accurately Represent Entire Creep Indentation Tests of Human Patella Cartilage

PubMed Central

Pal, Saikat; Lindsey, Derek P.; Besier, Thor F.; Beaupre, Gary S.

2013-01-01

Cartilage material properties provide important insights into joint health, and cartilage material models are used in whole-joint finite element models. Although the biphasic model representing experimental creep indentation tests is commonly used to characterize cartilage, cartilage short-term response to loading is generally not characterized using the biphasic model. The purpose of this study was to determine the short-term and equilibrium material properties of human patella cartilage using a viscoelastic model representation of creep indentation tests. We performed 24 experimental creep indentation tests from 14 human patellar specimens ranging in age from 20 to 90 years (median age 61 years). We used a finite element model to reproduce the experimental tests and determined cartilage material properties from viscoelastic and biphasic representations of cartilage. The viscoelastic model consistently provided excellent representation of the short-term and equilibrium creep displacements. We determined initial elastic modulus, equilibrium elastic modulus, and equilibrium Poisson’s ratio using the viscoelastic model. The viscoelastic model can represent the short-term and equilibrium response of cartilage and may easily be implemented in whole-joint finite element models. PMID:23027200
STEAM: a software tool based on empirical analysis for micro electro mechanical systems

NASA Astrophysics Data System (ADS)

Devasia, Archana; Pasupuleti, Ajay; Sahin, Ferat

2006-03-01

In this research a generalized software framework that enables accurate computer aided design of MEMS devices is developed. The proposed simulation engine utilizes a novel material property estimation technique that generates effective material properties at the microscopic level. The material property models were developed based on empirical analysis and the behavior extraction of standard test structures. A literature review is provided on the physical phenomena that govern the mechanical behavior of thin films materials. This survey indicates that the present day models operate under a wide range of assumptions that may not be applicable to the micro-world. Thus, this methodology is foreseen to be an essential tool for MEMS designers as it would develop empirical models that relate the loading parameters, material properties, and the geometry of the microstructures with its performance characteristics. This process involves learning the relationship between the above parameters using non-parametric learning algorithms such as radial basis function networks and genetic algorithms. The proposed simulation engine has a graphical user interface (GUI) which is very adaptable, flexible, and transparent. The GUI is able to encompass all parameters associated with the determination of the desired material property so as to create models that provide an accurate estimation of the desired property. This technique was verified by fabricating and simulating bilayer cantilevers consisting of aluminum and glass (TEOS oxide) in our previous work. The results obtained were found to be very encouraging.
A hybrid approach to determining cornea mechanical properties in vivo using a combination of nano-indentation and inverse finite element analysis.

PubMed

Abyaneh, M H; Wildman, R D; Ashcroft, I A; Ruiz, P D

2013-11-01

An analysis of the material properties of porcine corneas has been performed. A simple stress relaxation test was performed to determine the viscoelastic properties and a rheological model was built based on the Generalized Maxwell (GM) approach. A validation experiment using nano-indentation showed that an isotropic GM model was insufficient for describing the corneal material behaviour when exposed to a complex stress state. A new technique was proposed for determining the properties, using a combination of nano-indentation experiment, an isotropic and orthotropic GM model and inverse finite element method. The good agreement using this method suggests that this is a promising technique for measuring material properties in vivo and further work should focus on the reliability of the approach in practice. © 2013 Elsevier Ltd. All rights reserved.
Data-driven multi-scale multi-physics models to derive process-structure-property relationships for additive manufacturing

NASA Astrophysics Data System (ADS)

Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Lian, Yanping; Yu, Cheng; Liu, Zeliang; Yan, Jinhui; Wolff, Sarah; Wu, Hao; Ndip-Agbor, Ebot; Mozaffar, Mojtaba; Ehmann, Kornel; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

2018-05-01

Additive manufacturing (AM) possesses appealing potential for manipulating material compositions, structures and properties in end-use products with arbitrary shapes without the need for specialized tooling. Since the physical process is difficult to experimentally measure, numerical modeling is a powerful tool to understand the underlying physical mechanisms. This paper presents our latest work in this regard based on comprehensive material modeling of process-structure-property relationships for AM materials. The numerous influencing factors that emerge from the AM process motivate the need for novel rapid design and optimization approaches. For this, we propose data-mining as an effective solution. Such methods—used in the process-structure, structure-properties and the design phase that connects them—would allow for a design loop for AM processing and materials. We hope this article will provide a road map to enable AM fundamental understanding for the monitoring and advanced diagnostics of AM processing.
Data-driven multi-scale multi-physics models to derive process-structure-property relationships for additive manufacturing

NASA Astrophysics Data System (ADS)

Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Lian, Yanping; Yu, Cheng; Liu, Zeliang; Yan, Jinhui; Wolff, Sarah; Wu, Hao; Ndip-Agbor, Ebot; Mozaffar, Mojtaba; Ehmann, Kornel; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

2018-01-01

Additive manufacturing (AM) possesses appealing potential for manipulating material compositions, structures and properties in end-use products with arbitrary shapes without the need for specialized tooling. Since the physical process is difficult to experimentally measure, numerical modeling is a powerful tool to understand the underlying physical mechanisms. This paper presents our latest work in this regard based on comprehensive material modeling of process-structure-property relationships for AM materials. The numerous influencing factors that emerge from the AM process motivate the need for novel rapid design and optimization approaches. For this, we propose data-mining as an effective solution. Such methods—used in the process-structure, structure-properties and the design phase that connects them—would allow for a design loop for AM processing and materials. We hope this article will provide a road map to enable AM fundamental understanding for the monitoring and advanced diagnostics of AM processing.
SiC/SiC Cladding Materials Properties Handbook

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

Snead, Mary A.; Katoh, Yutai; Koyanagi, Takaaki

When a new class of material is considered for a nuclear core structure, the in-pile performance is usually assessed based on multi-physics modeling in coordination with experiments. This report aims to provide data for the mechanical and physical properties and environmental resistance of silicon carbide (SiC) fiber–reinforced SiC matrix (SiC/SiC) composites for use in modeling for their application as accidenttolerant fuel cladding for light water reactors (LWRs). The properties are specific for tube geometry, although many properties can be predicted from planar specimen data. This report presents various properties, including mechanical properties, thermal properties, chemical stability under normal and offnormalmore » operation conditions, hermeticity, and irradiation resistance. Table S.1 summarizes those properties mainly for nuclear-grade SiC/SiC composites fabricated via chemical vapor infiltration (CVI). While most of the important properties are available, this work found that data for the in-pile hydrothermal corrosion resistance of SiC materials and for thermal properties of tube materials are lacking for evaluation of SiC-based cladding for LWR applications.« less
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.
Computational Modeling of Interfacial Behaviors in Nanocomposite Materials

PubMed Central

Lin, Liqiang; Wang, Xiaodu; Zeng, Xiaowei

2017-01-01

Towards understanding the bulk material response in nanocomposites, an interfacial zone model was proposed to define a variety of material interface behaviors (e.g. brittle, ductile, rubber-like, elastic-perfectly plastic behavior etc.). It also has the capability to predict bulk material response though independently control of the interface properties (e.g. stiffness, strength, toughness). The mechanical response of granular nanocomposite (i.e. nacre) was investigated through modeling the “relatively soft” organic interface as an interfacial zone among “hard” mineral tablets and simulation results were compared with experimental measurements of stress-strain curves in tension and compression tests. Through modeling varies material interfaces, we found out that the bulk material response of granular nanocomposite was regulated by the interfacial behaviors. This interfacial zone model provides a possible numerical tool for qualitatively understanding of structure-property relationships through material interface design. PMID:28983123
Comparison Of Models Of Metal-Matrix Composites

NASA Technical Reports Server (NTRS)

Bigelow, C. A.; Johnson, W. S.; Naik, R. A.

1994-01-01

Report presents comparative review of four mathematical models of micromechanical behaviors of fiber/metal-matrix composite materials. Models differ in various details, all based on properties of fiber and matrix constituent materials, all involve square arrays of fibers continuous and parallel and all assume complete bonding between constituents. Computer programs implementing models used to predict properties and stress-vs.-strain behaviors of unidirectional- and cross-ply laminated composites made of boron fibers in aluminum matrices and silicon carbide fibers in titanium matrices. Stresses in fiber and matrix constituent materials also predicted.

Effect of Microscopic Damage Events on Static and Ballistic Impact Strength of Triaxial Braid Composites

NASA Technical Reports Server (NTRS)

Littell, Justin D.; Binienda, Wieslaw K.; Arnold, William A.; Roberts, Gary D.; Goldberg, Robert K.

2010-01-01

The reliability of impact simulations for aircraft components made with triaxial-braided carbon-fiber composites is currently limited by inadequate material property data and lack of validated material models for analysis. Methods to characterize the material properties used in the analytical models from a systematically obtained set of test data are also lacking. A macroscopic finite element based analytical model to analyze the impact response of these materials has been developed. The stiffness and strength properties utilized in the material model are obtained from a set of quasi-static in-plane tension, compression and shear coupon level tests. Full-field optical strain measurement techniques are applied in the testing, and the results are used to help in characterizing the model. The unit cell of the braided composite is modeled as a series of shell elements, where each element is modeled as a laminated composite. The braided architecture can thus be approximated within the analytical model. The transient dynamic finite element code LS-DYNA is utilized to conduct the finite element simulations, and an internal LS-DYNA constitutive model is utilized in the analysis. Methods to obtain the stiffness and strength properties required by the constitutive model from the available test data are developed. Simulations of quasi-static coupon tests and impact tests of a represented braided composite are conducted. Overall, the developed method shows promise, but improvements that are needed in test and analysis methods for better predictive capability are examined.
First-Principles Modeling of Hydrogen Storage in Metal Hydride Systems

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

J. Karl Johnson

The objective of this project is to complement experimental efforts of MHoCE partners by using state-of-the-art theory and modeling to study the structure, thermodynamics, and kinetics of hydrogen storage materials. Specific goals include prediction of the heats of formation and other thermodynamic properties of alloys from first principles methods, identification of new alloys that can be tested experimentally, calculation of surface and energetic properties of nanoparticles, and calculation of kinetics involved with hydrogenation and dehydrogenation processes. Discovery of new metal hydrides with enhanced properties compared with existing materials is a critical need for the Metal Hydride Center of Excellence. Newmore » materials discovery can be aided by the use of first principles (ab initio) computational modeling in two ways: (1) The properties, including mechanisms, of existing materials can be better elucidated through a combined modeling/experimental approach. (2) The thermodynamic properties of novel materials that have not been made can, in many cases, be quickly screened with ab initio methods. We have used state-of-the-art computational techniques to explore millions of possible reaction conditions consisting of different element spaces, compositions, and temperatures. We have identified potentially promising single- and multi-step reactions that can be explored experimentally.« less
Electrostatic Levitation for Studies of Additive Manufactured Materials

NASA Technical Reports Server (NTRS)

SanSoucie, Michael P.; Rogers, Jan R.; Tramel, Terri

2014-01-01

The electrostatic levitation (ESL) laboratory at NASA's Marshall Space Flight Center is a unique facility for investigators studying high temperature materials. The laboratory boasts two levitators in which samples can be levitated, heated, melted, undercooled, and resolidified. Electrostatic levitation minimizes gravitational effects and allows materials to be studied without contact with a container or instrumentation. The lab also has a high temperature emissivity measurement system, which provides normal spectral and normal total emissivity measurements at use temperature. The ESL lab has been instrumental in many pioneering materials investigations of thermophysical properties, e.g., creep measurements, solidification, triggered nucleation, and emissivity at high temperatures. Research in the ESL lab has already led to the development of advanced high temperature materials for aerospace applications, coatings for rocket nozzles, improved medical and industrial optics, metallic glasses, ablatives for reentry vehicles, and materials with memory. Modeling of additive manufacturing materials processing is necessary for the study of their resulting materials properties. In addition, the modeling of the selective laser melting processes and its materials property predictions are also underway. Unfortunately, there is very little data for the properties of these materials, especially of the materials in the liquid state. Some method to measure thermophysical properties of additive manufacturing materials is necessary. The ESL lab is ideal for these studies. The lab can provide surface tension and viscosity of molten materials, density measurements, emissivity measurements, and even creep strength measurements. The ESL lab can also determine melting temperature, surface temperatures, and phase transition temperatures of additive manufactured materials. This presentation will provide background on the ESL lab and its capabilities, provide an approach to using the ESL in supporting the development and modeling of the selective laser melting process for metals, and provide an overview of the results to date.
Cross-Linked Nanotube Materials with Variable Stiffness Tethers

NASA Technical Reports Server (NTRS)

Frankland, Sarah-Jane V.; Odegard, Gregory M.; Herzog, Matthew N.; Gates, Thomas S.; Fay, Catherine C.

2004-01-01

The constitutive properties of a cross-linked single-walled carbon nanotube material are predicted with a multi-scale model. The material is modeled as a transversely isotropic solid using concepts from equivalent-continuum modeling. The elastic constants are determined using molecular dynamics simulation. Some parameters of the molecular force field are determined specifically for the cross-linker from ab initio calculations. A demonstration of how the cross-linked nanotubes may affect the properties of a nanotube/polyimide composite is included using a micromechanical analysis.
IVUS-Based Computational Modeling and Planar Biaxial Artery Material Properties for Human Coronary Plaque Vulnerability Assessment

PubMed Central

Liu, Haofei; Cai, Mingchao; Yang, Chun; Zheng, Jie; Bach, Richard; Kural, Mehmet H.; Billiar, Kristen L.; Muccigrosso, David; Lu, Dongsi; Tang, Dalin

2012-01-01

Image-based computational modeling has been introduced for vulnerable atherosclerotic plaques to identify critical mechanical conditions which may be used for better plaque assessment and rupture predictions. In vivo patient-specific coronary plaque models are lagging due to limitations on non-invasive image resolution, flow data, and vessel material properties. A framework is proposed to combine intravascular ultrasound (IVUS) imaging, biaxial mechanical testing and computational modeling with fluid-structure interactions and anisotropic material properties to acquire better and more complete plaque data and make more accurate plaque vulnerability assessment and predictions. Impact of pre-shrink-stretch process, vessel curvature and high blood pressure on stress, strain, flow velocity and flow maximum principal shear stress was investigated. PMID:22428362
Characterization of the Dynamic Material Properties of Magnetostrictive Terfenol-D

NASA Technical Reports Server (NTRS)

Calkins, Frederick T.; Flatau, Alison B.; Hall, David L.

1996-01-01

A major limitation in use of electromagnetic and/or magnetomechanical models for design of Terfenol-D actuators is the lack of reliable material property data for Terfenol-D. In particular data on the performance of Terfenol-D as employed in a transducer, operating under real world dynamic conditions is needed. To provide this information, Terfenol-D rod properties need to be measured under as run prestressed and magnetically biased states. Using a Terfenol-D actuator, the following properties can be measured and/or calculated: mechanical quality factor, speed of sound in the material, the resonant frequency, the anti-resonant frequency, two magnetic permeabilities (one at constant stress and one at constant strain), two Young's moduli (one at constant amplitude applied magnetic field and one at constant amplitude magnetic flux density in the material), the magnetomechanical coupling, and the axial strain coefficient. The development of the material properties measurements and calculations is based on the model of low signal, linear, magnetostriction from Clark, the linear transduction equations for a transducer from Hunt, and a one degree of freedom mechanical model of the transducer. The electrical impedance and admittance mobility loops are used to determine the resonant, anti-resonant, and half power point frequencies. The rest of the material properties indicated above can then be calculated using these frequencies, acceleration from an accelerometer mounted on the actuator arm, and readily measurable transducer and Terfenol-D rod parameters.
Machine learning properties of binary wurtzite superlattices

DOE PAGES

Pilania, G.; Liu, X. -Y.

2018-01-12

The burgeoning paradigm of high-throughput computations and materials informatics brings new opportunities in terms of targeted materials design and discovery. The discovery process can be significantly accelerated and streamlined if one can learn effectively from available knowledge and past data to predict materials properties efficiently. Indeed, a very active area in materials science research is to develop machine learning based methods that can deliver automated and cross-validated predictive models using either already available materials data or new data generated in a targeted manner. In the present paper, we show that fast and accurate predictions of a wide range of propertiesmore » of binary wurtzite superlattices, formed by a diverse set of chemistries, can be made by employing state-of-the-art statistical learning methods trained on quantum mechanical computations in combination with a judiciously chosen numerical representation to encode materials’ similarity. These surrogate learning models then allow for efficient screening of vast chemical spaces by providing instant predictions of the targeted properties. Moreover, the models can be systematically improved in an adaptive manner, incorporate properties computed at different levels of fidelities and are naturally amenable to inverse materials design strategies. Finally, while the learning approach to make predictions for a wide range of properties (including structural, elastic and electronic properties) is demonstrated here for a specific example set containing more than 1200 binary wurtzite superlattices, the adopted framework is equally applicable to other classes of materials as well.« less
Machine learning properties of binary wurtzite superlattices

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

Pilania, G.; Liu, X. -Y.

The burgeoning paradigm of high-throughput computations and materials informatics brings new opportunities in terms of targeted materials design and discovery. The discovery process can be significantly accelerated and streamlined if one can learn effectively from available knowledge and past data to predict materials properties efficiently. Indeed, a very active area in materials science research is to develop machine learning based methods that can deliver automated and cross-validated predictive models using either already available materials data or new data generated in a targeted manner. In the present paper, we show that fast and accurate predictions of a wide range of propertiesmore » of binary wurtzite superlattices, formed by a diverse set of chemistries, can be made by employing state-of-the-art statistical learning methods trained on quantum mechanical computations in combination with a judiciously chosen numerical representation to encode materials’ similarity. These surrogate learning models then allow for efficient screening of vast chemical spaces by providing instant predictions of the targeted properties. Moreover, the models can be systematically improved in an adaptive manner, incorporate properties computed at different levels of fidelities and are naturally amenable to inverse materials design strategies. Finally, while the learning approach to make predictions for a wide range of properties (including structural, elastic and electronic properties) is demonstrated here for a specific example set containing more than 1200 binary wurtzite superlattices, the adopted framework is equally applicable to other classes of materials as well.« less
Extracting material response from simple mechanical tests on hardening-softening-hardening viscoplastic solids

NASA Astrophysics Data System (ADS)

Mohan, Nisha

Compliant foams are usually characterized by a wide range of desirable mechanical properties. These properties include viscoelasticity at different temperatures, energy absorption, recoverability under cyclic loading, impact resistance, and thermal, electrical, acoustic and radiation-resistance. Some foams contain nano-sized features and are used in small-scale devices. This implies that the characteristic dimensions of foams span multiple length scales, rendering modeling their mechanical properties difficult. Continuum mechanics-based models capture some salient experimental features like the linear elastic regime, followed by non-linear plateau stress regime. However, they lack mesostructural physical details. This makes them incapable of accurately predicting local peaks in stress and strain distributions, which significantly affect the deformation paths. Atomistic methods are capable of capturing the physical origins of deformation at smaller scales, but suffer from impractical computational intensity. Capturing deformation at the so-called meso-scale, which is capable of describing the phenomenon at a continuum level, but with some physical insights, requires developing new theoretical approaches. A fundamental question that motivates the modeling of foams is `how to extract the intrinsic material response from simple mechanical test data, such as stress vs. strain response?' A 3D model was developed to simulate the mechanical response of foam-type materials. The novelty of this model includes unique features such as the hardening-softening-hardening material response, strain rate-dependence, and plastically compressible solids with plastic non-normality. Suggestive links from atomistic simulations of foams were borrowed to formulate a physically informed hardening material input function. Motivated by a model that qualitatively captured the response of foam-type vertically aligned carbon nanotube (VACNT) pillars under uniaxial compression [2011,"Analysis of Uniaxial Compression of Vertically Aligned Carbon Nanotubes," J. Mech.Phys. Solids, 59, pp. 2227--2237, Erratum 60, 1753-1756 (2012)], the property space exploration was advanced to three types of simple mechanical tests: 1) uniaxial compression, 2) uniaxial tension, and 3) nanoindentation with a conical and a flat-punch tip. The simulations attempt to explain some of the salient features in experimental data, like 1) The initial linear elastic response. 2) One or more nonlinear instabilities, yielding, and hardening. The model-inherent relationships between the material properties and the overall stress-strain behavior were validated against the available experimental data. The material properties include the gradient in stiffness along the height, plastic and elastic compressibility, and hardening. Each of these tests was evaluated in terms of their efficiency in extracting material properties. The uniaxial simulation results proved to be a combination of structural and material influences. Out of all deformation paths, flat-punch indentation proved to be superior since it is the most sensitive in capturing the material properties.
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.
Effects of Soil Organic Matter Properties and Microbial Community Composition on Enzyme Activities in Cryoturbated Arctic Soils

PubMed Central

Schnecker, Jörg; Wild, Birgit; Hofhansl, Florian; Eloy Alves, Ricardo J.; Bárta, Jiří; Čapek, Petr; Fuchslueger, Lucia; Gentsch, Norman; Gittel, Antje; Guggenberger, Georg; Hofer, Angelika; Kienzl, Sandra; Knoltsch, Anna; Lashchinskiy, Nikolay; Mikutta, Robert; Šantrůčková, Hana; Shibistova, Olga; Takriti, Mounir; Urich, Tim; Weltin, Georg; Richter, Andreas

2014-01-01

Enzyme-mediated decomposition of soil organic matter (SOM) is controlled, amongst other factors, by organic matter properties and by the microbial decomposer community present. Since microbial community composition and SOM properties are often interrelated and both change with soil depth, the drivers of enzymatic decomposition are hard to dissect. We investigated soils from three regions in the Siberian Arctic, where carbon rich topsoil material has been incorporated into the subsoil (cryoturbation). We took advantage of this subduction to test if SOM properties shape microbial community composition, and to identify controls of both on enzyme activities. We found that microbial community composition (estimated by phospholipid fatty acid analysis), was similar in cryoturbated material and in surrounding subsoil, although carbon and nitrogen contents were similar in cryoturbated material and topsoils. This suggests that the microbial community in cryoturbated material was not well adapted to SOM properties. We also measured three potential enzyme activities (cellobiohydrolase, leucine-amino-peptidase and phenoloxidase) and used structural equation models (SEMs) to identify direct and indirect drivers of the three enzyme activities. The models included microbial community composition, carbon and nitrogen contents, clay content, water content, and pH. Models for regular horizons, excluding cryoturbated material, showed that all enzyme activities were mainly controlled by carbon or nitrogen. Microbial community composition had no effect. In contrast, models for cryoturbated material showed that enzyme activities were also related to microbial community composition. The additional control of microbial community composition could have restrained enzyme activities and furthermore decomposition in general. The functional decoupling of SOM properties and microbial community composition might thus be one of the reasons for low decomposition rates and the persistence of 400 Gt carbon stored in cryoturbated material. PMID:24705618
Deciphering chemical order/disorder and material properties at the single-atom level.

PubMed

Yang, Yongsoo; Chen, Chien-Chun; Scott, M C; Ophus, Colin; Xu, Rui; Pryor, Alan; Wu, Li; Sun, Fan; Theis, Wolfgang; Zhou, Jihan; Eisenbach, Markus; Kent, Paul R C; Sabirianov, Renat F; Zeng, Hao; Ercius, Peter; Miao, Jianwei

2017-02-01

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling 'real' materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily on average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. This work combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure-property relationships at the fundamental level.
Method for the unique identification of hyperelastic material properties using full-field measures. Application to the passive myocardium material response.

PubMed

Perotti, Luigi E; Ponnaluri, Aditya V S; Krishnamoorthi, Shankarjee; Balzani, Daniel; Ennis, Daniel B; Klug, William S

2017-11-01

Quantitative measurement of the material properties (eg, stiffness) of biological tissues is poised to become a powerful diagnostic tool. There are currently several methods in the literature to estimating material stiffness, and we extend this work by formulating a framework that leads to uniquely identified material properties. We design an approach to work with full-field displacement data-ie, we assume the displacement field due to the applied forces is known both on the boundaries and also within the interior of the body of interest-and seek stiffness parameters that lead to balanced internal and external forces in a model. For in vivo applications, the displacement data can be acquired clinically using magnetic resonance imaging while the forces may be computed from pressure measurements, eg, through catheterization. We outline a set of conditions under which the least-square force error objective function is convex, yielding uniquely identified material properties. An important component of our framework is a new numerical strategy to formulate polyconvex material energy laws that are linear in the material properties and provide one optimal description of the available experimental data. An outcome of our approach is the analysis of the reliability of the identified material properties, even for material laws that do not admit unique property identification. Lastly, we evaluate our approach using passive myocardium experimental data at the material point and show its application to identifying myocardial stiffness with an in silico experiment modeling the passive filling of the left ventricle. Copyright © 2017 John Wiley & Sons, Ltd.
Distributed databases for materials study of thermo-kinetic properties

NASA Astrophysics Data System (ADS)

Toher, Cormac

2015-03-01

High-throughput computational materials science provides researchers with the opportunity to rapidly generate large databases of materials properties. To rapidly add thermal properties to the AFLOWLIB consortium and Materials Project repositories, we have implemented an automated quasi-harmonic Debye model, the Automatic GIBBS Library (AGL). This enables us to screen thousands of materials for thermal conductivity, bulk modulus, thermal expansion and related properties. The search and sort functions of the online database can then be used to identify suitable materials for more in-depth study using more precise computational or experimental techniques. AFLOW-AGL source code is public domain and will soon be released within the GNU-GPL license.
Progress Toward an Integration of Process-Structure-Property-Performance Models for "Three-Dimensional (3-D) Printing" of Titanium Alloys

NASA Astrophysics Data System (ADS)

Collins, P. C.; Haden, C. V.; Ghamarian, I.; Hayes, B. J.; Ales, T.; Penso, G.; Dixit, V.; Harlow, G.

2014-07-01

Electron beam direct manufacturing, synonymously known as electron beam additive manufacturing, along with other additive "3-D printing" manufacturing processes, are receiving widespread attention as a means of producing net-shape (or near-net-shape) components, owing to potential manufacturing benefits. Yet, materials scientists know that differences in manufacturing processes often significantly influence the microstructure of even widely accepted materials and, thus, impact the properties and performance of a material in service. It is important to accelerate the understanding of the processing-structure-property relationship of materials being produced via these novel approaches in a framework that considers the performance in a statistically rigorous way. This article describes the development of a process model, the assessment of key microstructural features to be incorporated into a microstructure simulation model, a novel approach to extract a constitutive equation to predict tensile properties in Ti-6Al-4V (Ti-64), and a probabilistic approach to measure the fidelity of the property model against real data. This integrated approach will provide designers a tool to vary process parameters and understand the influence on performance, enabling design and optimization for these highly visible manufacturing approaches.
BOOK REVIEW: Heterogeneous Materials I and Heterogeneous Materials II

NASA Astrophysics Data System (ADS)

Knowles, K. M.

2004-02-01

In these two volumes the author provides a comprehensive survey of the various mathematically-based models used in the research literature to predict the mechanical, thermal and electrical properties of hetereogeneous materials, i.e., materials containing two or more phases such as fibre-reinforced polymers, cast iron and porous ceramic kiln furniture. Volume I covers linear properties such as linear dielectric constant, effective electrical conductivity and elastic moduli, while Volume II covers nonlinear properties, fracture and atomistic and multiscale modelling. Where appropriate, particular attention is paid to the use of fractal geometry and percolation theory in describing the structure and properties of these materials. The books are advanced level texts reflecting the research interests of the author which will be of significant interest to research scientists working at the forefront of the areas covered by the books. Others working more generally in the field\
Meteorite Material Model for Structural Properties

NASA Technical Reports Server (NTRS)

Agrawal, Parul; Carlozzi, Alexander A.; Karajeh, Zaid S.; Bryson, Kathryn L.

2017-01-01

To assess the threat posed by an asteroid entering Earth's atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the asteroid material properties is needed to achieve this objective. At present, the meteorite material found on earth are the only objects from an entering asteroid that can be used as representative material and be tested inside a laboratory setting. Due to complex petrology, it is technically challenging and expensive to obtain reliable material properties by means of laboratory test for a family of meteorites. In order to circumvent this challenge, meteorite unit models are developed to determine the effective material properties including Youngs modulus, compressive and tensile strengths and Poissons ratio, that in turn would help deduce the properties of asteroids. The meteorite unit is a representative volume that accounts for diverse minerals, porosity, cracks and matrix composition. The Youngs Modulus and Poissons Ratio in the meteorite units are calculated by performing several hundreds of Monte-Carlo simulations by randomly distributing the various phases inside these units. Once these values are obtained, cracks are introduced in these meteorite units. The size, orientation and distribution of cracks are derived by extensive CT-scans and visual scans of various meteorites from the same family. Subsequently, simulations are performed to attain stress-strain relations, strength and effective modulus values in the presence of these cracks. The meteorite unit models are presented for H, L and LL ordinary chondrites, as well as for terrestrial basalt. In the case of the latter, data from the simulations is compared with experimental data to validate the methodology. These material models will be subsequently used in fragmentation modeling of full scale asteroids.
Mathematical Methods of System Analysis in Construction Materials

NASA Astrophysics Data System (ADS)

Garkina, Irina; Danilov, Alexander

2017-10-01

System attributes of construction materials are defined: complexity of an object, integrity of set of elements, existence of essential, stable relations between elements defining integrative properties of system, existence of structure, etc. On the basis of cognitive modelling (intensive and extensive properties; the operating parameters) materials (as difficult systems) and creation of the cognitive map the hierarchical modular structure of criteria of quality is under construction. It actually is a basis for preparation of the specification on development of material (the required organization and properties). Proceeding from a modern paradigm (model of statement of problems and their decisions) of development of materials, levels and modules are specified in structure of material. It when using the principles of the system analysis allows to considered technological process as the difficult system consisting of elements of the distinguished specification level: from atomic before separate process. Each element of system depending on an effective objective is considered as separate system with more detailed levels of decomposition. Among them, semantic and qualitative analyses of an object (are considered a research objective, decomposition levels, separate elements and communications between them come to light). Further formalization of the available knowledge in the form of mathematical models (structural identification) is carried out; communications between input and output parameters (parametrical identification) are defined. Hierarchical structures of criteria of quality are under construction for each allocated level. On her the relevant hierarchical structures of system (material) are under construction. Regularities of structurization and formation of properties, generally are considered at the levels from micro to a macrostructure. The mathematical model of material is represented as set of the models corresponding to private criteria by which separate modules and their levels (the mathematical description, a decision algorithm) are defined. Adequacy is established (compliance of results of modelling to experimental data; is defined by the level of knowledge of process and validity of the accepted assumptions). The global criterion of quality of material is considered as a set of private criteria (properties). Synthesis of material is carried out on the basis of one-criteria optimization on each of the chosen private criteria. Results of one-criteria optimization are used at multicriteria optimization. The methods of developing materials as single-purpose, multi-purpose, including contradictory, systems are indicated. The scheme of synthesis of composite materials as difficult systems is developed. The specified system approach effectively was used in case of synthesis of composite materials with special properties.
A computational modeling approach for the characterization of mechanical properties of 3D alginate tissue scaffolds.

PubMed

Nair, K; Yan, K C; Sun, W

2008-01-01

Scaffold guided tissue engineering is an innovative approach wherein cells are seeded onto biocompatible and biodegradable materials to form 3-dimensional (3D) constructs that, when implanted in the body facilitate the regeneration of tissue. Tissue scaffolds act as artificial extracellular matrix providing the environment conducive for tissue growth. Characterization of scaffold properties is necessary to understand better the underlying processes involved in controlling cell behavior and formation of functional tissue. We report a computational modeling approach to characterize mechanical properties of 3D gellike biomaterial, specifically, 3D alginate scaffold encapsulated with cells. Alginate inherent nonlinearity and variations arising from minute changes in its concentration and viscosity make experimental evaluation of its mechanical properties a challenging and time consuming task. We developed an in silico model to determine the stress-strain relationship of alginate based scaffolds from experimental data. In particular, we compared the Ogden hyperelastic model to other hyperelastic material models and determined that this model was the most suitable to characterize the nonlinear behavior of alginate. We further propose a mathematical model that represents the alginate material constants in Ogden model as a function of concentrations and viscosity. This study demonstrates the model capability to predict mechanical properties of 3D alginate scaffolds.
Stress and Damage in Polymer Matrix Composite Materials Due to Material Degradation at High Temperatures

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

Mcmanus, H.L.; Chamis, C.C.

1996-01-01

This report describes analytical methods for calculating stresses and damage caused by degradation of the matrix constituent in polymer matrix composite materials. Laminate geometry, material properties, and matrix degradation states are specified as functions of position and time. Matrix shrinkage and property changes are modeled as functions of the degradation states. The model is incorporated into an existing composite mechanics computer code. Stresses, strains, and deformations at the laminate, ply, and micro levels are calculated, and from these calculations it is determined if there is failure of any kind. The rationale for the model (based on published experimental work) ismore » presented, its integration into the laminate analysis code is outlined, and example results are given, with comparisons to existing material and structural data. The mechanisms behind the changes in properties and in surface cracking during long-term aging of polyimide matrix composites are clarified. High-temperature-material test methods are also evaluated.« less

The properties of an ion selective enzymatic asymmetric synthetic membrane.

NASA Technical Reports Server (NTRS)

Mitz, M. A.

1971-01-01

With the aid of a simple model membrane system, the properties of cellulose enzymes and of membrane selectivity and pump-like action are considered. The model is based on materials possibly present on a primitive earth, as well as on a membrane able to sort or concentrate these materials. An overview of the model membrane system is presented in terms of how it is constructed, what its properties are, and what to expect in performance characteristics. The model system is shown to be useful for studying the selective and in some cases accelerated transfer of nutrients and metabolites.
Surface temperatures and glassy state investigations in tribology

NASA Technical Reports Server (NTRS)

Bair, S.; Winer, W. O.

1979-01-01

The limiting shear stress shear rheological model was applied to property measurements pursuant to the use of the constitutive equation and the application of the constitutive equation to elastrohydrodynamic (EHD) traction. Experimental techniques were developed to subject materials to isothermal compression which is similar to the history the materials were subjected to in EHD contacts. In addition, an apparatus was developed for measuring the shear stress-strain behavior of solid lubricating materials. Four commercially available materials were examined under pressure. They exhibit elastic and limiting shear stress behavior similar to that of liquid lubricants. The application of the limiting shear stress model to traction predictions was extended employing the primary materials properties measured in the laboratory. The shear rheological model was also applied to a Grubin-like EHD inlet analysis for predicting film thicknesses when employing the limiting shear stress model material behavior.
The thermoelectric properties of strongly correlated systems

NASA Astrophysics Data System (ADS)

Cai, Jianwei

Strongly correlated systems are among the most interesting and complicated systems in physics. Large Seebeck coefficients are found in some of these systems, which highlight the possibility for thermoelectric applications. In this thesis, we study the thermoelectric properties of these strongly correlated systems with various methods. We derived analytic formulas for the resistivity and Seebeck coefficient of the periodic Anderson model based on the dynamic mean field theory. These formulas were possible as the self energy of the single impurity Anderson model could be given by an analytic ansatz derived from experiments and numerical calculations instead of complicated numerical calculations. The results show good agreement with the experimental data of rare-earth compound in a restricted temperature range. These formulas help to understand the properties of periodic Anderson model. Based on the study of rare-earth compounds, we proposed a design for the thermoelectric meta-material. This manmade material is made of quantum dots linked by conducting linkers. The quantum dots act as the rare-earth atoms with heavier mass. We set up a model similar to the periodic Anderson model for this new material. The new model was studied with the perturbation theory for energy bands. The dynamic mean field theory with numerical renormalization group as the impurity solver was used to study the transport properties. With these studies, we confirmed the improved thermoelectric properties of the designed material.
Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Murthy, Pappu L.; Bednarcyk, Brett A.; Lawson, John W.; Monk, Joshua D.; Bauschlicher, Charles W., Jr.

2016-01-01

Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.
A quantitative property-property relationship for the internal diffusion coefficients of organic compounds in solid materials.

PubMed

Huang, L; Fantke, P; Ernstoff, A; Jolliet, O

2017-11-01

Indoor releases of organic chemicals encapsulated in solid materials are major contributors to human exposures and are directly related to the internal diffusion coefficient in solid materials. Existing correlations to estimate the diffusion coefficient are only valid for a limited number of chemical-material combinations. This paper develops and evaluates a quantitative property-property relationship (QPPR) to predict diffusion coefficients for a wide range of organic chemicals and materials. We first compiled a training dataset of 1103 measured diffusion coefficients for 158 chemicals in 32 consolidated material types. Following a detailed analysis of the temperature influence, we developed a multiple linear regression model to predict diffusion coefficients as a function of chemical molecular weight (MW), temperature, and material type (adjusted R 2 of .93). The internal validations showed the model to be robust, stable and not a result of chance correlation. The external validation against two separate prediction datasets demonstrated the model has good predicting ability within its applicability domain (Rext2>.8), namely MW between 30 and 1178 g/mol and temperature between 4 and 180°C. By covering a much wider range of organic chemicals and materials, this QPPR facilitates high-throughput estimates of human exposures for chemicals encapsulated in solid materials. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.
Assessment of Technologies for the Space Shuttle External Tank Thermal Protection System and Recommendations for Technology Improvement - Part III: Material Property Characterization, Analysis, and Test Methods

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Johnson, Theodore F.; Whitley, Karen S.

2005-01-01

The objective of this report is to contribute to the independent assessment of the Space Shuttle External Tank Foam Material. This report specifically addresses material modeling, characterization testing, data reduction methods, and data pedigree. A brief description of the External Tank foam materials, locations, and standard failure modes is provided to develop suitable background information. A review of mechanics based analysis methods from the open literature is used to provide an assessment of the state-of-the-art in material modeling of closed cell foams. Further, this report assesses the existing material property database and investigates sources of material property variability. The report presents identified deficiencies in testing methods and procedures, recommendations for additional testing as required, identification of near-term improvements that should be pursued, and long-term capabilities or enhancements that should be developed.
From the experience of development of composite materials with desired properties

NASA Astrophysics Data System (ADS)

Garkina, I. A.; Danilov, A. M.

2017-04-01

Using the experience in the development of composite materials with desired properties is given the algorithm of construction materials synthesis on the basis of their representation in the form of a complex system. The possibility of creation of a composite and implementation of the technical task originally are defined at a stage of cognitive modeling. On the basis of development of the cognitive map hierarchical structures of criteria of quality are defined; according to them for each allocated large-scale level the corresponding block diagrams of system are specified. On the basis of the solution of problems of one-criteria optimization with use of the found optimum values formalization of a multi-criteria task and its decision is carried out (the optimum organization and properties of system are defined). The emphasis is on methodological aspects of mathematical modeling (construction of a generalized and partial models to optimize the properties and structure of materials, including those based on the concept of systemic homeostasis).
Mechanical testing and modelling of carbon-carbon composites for aircraft disc brakes

NASA Astrophysics Data System (ADS)

Bradley, Luke R.

The objective of this study is to improve the understanding of the stress distributions and failure mechanisms experienced by carbon-carbon composite aircraft brake discs using finite element (FE) analyses. The project has been carried out in association with Dunlop Aerospace as an EPSRC CASE studentship. It therefore focuses on the carbon-carbon composite brake disc material produced by Dunlop Aerospace, although it is envisaged that the approach will have broader applications for modelling and mechanical testing of carbon-carbon composites in general. The disc brake material is a laminated carbon-carbon composite comprised of poly(acrylonitrile) (PAN) derived carbon fibres in a chemical vapour infiltration (CVI) deposited matrix, in which the reinforcement is present in both continuous fibre and chopped fibre forms. To pave the way for the finite element analysis, a comprehensive study of the mechanical properties of the carbon-carbon composite material was carried out. This focused largely, but not entirely, on model composite materials formulated using structural elements of the disc brake material. The strengths and moduli of these materials were measured in tension, compression and shear in several orientations. It was found that the stress-strain behaviour of the materials were linear in directions where there was some continuous fibre reinforcement, but non-linear when this was not the case. In all orientations, some degree of non-linearity was observed in the shear stress-strain response of the materials. However, this non-linearity was generally not large enough to pose a problem for the estimation of elastic moduli. Evidence was found for negative Poisson's ratio behaviour in some orientations of the material in tension. Additionally, the through-thickness properties of the composite, including interlaminar shear strength, were shown to be positively related to bulk density. The in-plane properties were mostly unrelated to bulk density over the range of densities of the tested specimens.Two types of FE model were developed using a commercially available program. The first type was designed to analyse the model composite materials for comparison with mechanical test data for the purpose of validation of the FE model. Elastic moduli predicted by this type of FE model showed good agreement with the experimentally measured elastic moduli of the model composite materials. This result suggested that the use of layered FE models, which rely upon an isostrain assumption between the layers, can be useful in predicting the elastic properties of different lay-ups of the disc brake material.The second type of FE model analysed disc brake segments, using the experimentally measured bulk mechanical properties of the disc brake material. This FE model approximated the material as a continuum with in-plane isotropy but with different properties in the through-thickness direction. In order to validate this modelling approach, the results of the FE analysis were compared with mechanical tests on disc brake segments, which were loaded by their drive tenons in a manner intended to simulate in-service loading. The FE model showed good agreement with in-plane strains measured on the disc tenon face close to the swept area of the disc, but predicted significantly higher strains than those experimentally measured on the tenon fillet curve. This discrepancy was attributed to the existence of a steep strain gradient on the fillet curve.
A Computer Code for Dynamic Stress Analysis of Media-Structure Problems with Nonlinearities (SAMSON). Volume III. User’s Manual.

DTIC Science & Technology

NONLINEAR SYSTEMS, LINEAR SYSTEMS, SUBROUTINES , SOIL MECHANICS, INTERFACES, DYNAMICS, LOADS(FORCES), FORCE(MECHANICS), DAMPING, ACCELERATION, ELASTIC...PROPERTIES, PLASTIC PROPERTIES, CRACKS , REINFORCING MATERIALS , COMPOSITE MATERIALS , FAILURE(MECHANICS), MECHANICAL PROPERTIES, INSTRUCTION MANUALS, DIGITAL COMPUTERS...STRESSES, *COMPUTER PROGRAMS), (*STRUCTURES, STRESSES), (*DATA PROCESSING, STRUCTURAL PROPERTIES), SOILS , STRAIN(MECHANICS), MATHEMATICAL MODELS
Multiscale Modeling of Carbon Fiber Reinforced Polymer (CFRP) for Integrated Computational Materials Engineering Process

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

Gao, Jiaying; Liang, Biao; Zhang, Weizhao

In this work, a multiscale modeling framework for CFRP is introduced to study hierarchical structure of CFRP. Four distinct scales are defined: nanoscale, microscale, mesoscale, and macroscale. Information at lower scales can be passed to higher scale, which is beneficial for studying effect of constituents on macroscale part’s mechanical property. This bottom-up modeling approach enables better understanding of CFRP from finest details. Current study focuses on microscale and mesoscale. Representative volume element is used at microscale and mesoscale to model material’s properties. At microscale, unidirection CFRP (UD) RVE is used to study properties of UD. The UD RVE can bemore » modeled with different volumetric fraction to encounter non-uniform fiber distribution in CFRP part. Such consideration is important in modeling uncertainties at microscale level. Currently, we identified volumetric fraction as the only uncertainty parameters in UD RVE. To measure effective material properties of UD RVE, periodic boundary conditions (PBC) are applied to UD RVE to ensure convergence of obtained properties. Properties of UD is directly used at mesoscale woven RVE modeling, where each yarn is assumed to have same properties as UD. Within woven RVE, there can be many potential uncertainties parameters to consider for a physical modeling of CFRP. Currently, we will consider fiber misalignment within yarn and angle between wrap and weft yarns. PBC is applied to woven RVE to calculate its effective material properties. The effect of uncertainties are investigated quantitatively by Gaussian process. Preliminary results of UD and Woven study are analyzed for efficacy of the RVE modeling. This work is considered as the foundation for future multiscale modeling framework development for ICME project.« less
Deciphering chemical order/disorder and material properties at the single-atom level

DOE PAGES

Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.; ...

2017-02-01

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily onmore » average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. The work presented here combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.« less
Perspective: Materials informatics and big data: Realization of the "fourth paradigm" of science in materials science

NASA Astrophysics Data System (ADS)

Agrawal, Ankit; Choudhary, Alok

2016-05-01

Our ability to collect "big data" has greatly surpassed our capability to analyze it, underscoring the emergence of the fourth paradigm of science, which is data-driven discovery. The need for data informatics is also emphasized by the Materials Genome Initiative (MGI), further boosting the emerging field of materials informatics. In this article, we look at how data-driven techniques are playing a big role in deciphering processing-structure-property-performance relationships in materials, with illustrative examples of both forward models (property prediction) and inverse models (materials discovery). Such analytics can significantly reduce time-to-insight and accelerate cost-effective materials discovery, which is the goal of MGI.
Green and biodegradable composite films with novel antimicrobial performance based on cellulose.

PubMed

Wu, Yuehan; Luo, Xiaogang; Li, Wei; Song, Rong; Li, Jing; Li, Yan; Li, Bin; Liu, Shilin

2016-04-15

In order to obtain a safe and biodegradable material with antimicrobial properties from cellulose for food packaging, we presented a facile way to graft chitosan onto the oxidized cellulose films. The obtained films had a high transparent property of above 80% transmittance, excellent barrier properties against oxygen and antimicrobial properties against Escherichia coli and Staphylococcus aureus. The antimicrobial properties, mechanical properties, and water vapor permeability of composites are essential characteristics in determining their applicability as food-packaging materials. Moreover, using a sausage model, it was shown that the composites exhibited better performance than traditional polyethylene packaging material and demonstrated good potential as food packaging materials. The results presented a new insight into the development of green materials for food packaging. Copyright © 2015 Elsevier Ltd. All rights reserved.
Energy dissipation in a rolling aircraft tire

NASA Technical Reports Server (NTRS)

Tielking, John T.

1988-01-01

The project is extending an existing finite element tire model to calculate the energy dissipation in a free-rolling aircraft tire and temperature buildup in the tire carcass. The model will provide a means of calculating the influence of tire design on the distribution of tire temperature. Current focus is on energy loss measurements of aircraft tire material. The feasibility of taking test specimens directly from the tire carcass for measurements of viscoelastic properties was demonstrated. The interaction of temperature and frequency effects on material loss properties was studied. The tire model was extended to calculate the cyclic energy change in a tire during rolling under load. Input data representing the 40 by 14 aircraft tire whose material loss properties were measured are being used.
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.
Dynamic characterization of high damping viscoelastic materials from vibration test data

NASA Astrophysics Data System (ADS)

Martinez-Agirre, Manex; Elejabarrieta, María Jesús

2011-08-01

The numerical analysis and design of structural systems involving viscoelastic damping materials require knowledge of material properties and proper mathematical models. A new inverse method for the dynamic characterization of high damping and strong frequency-dependent viscoelastic materials from vibration test data measured by forced vibration tests with resonance is presented. Classical material parameter extraction methods are reviewed; their accuracy for characterizing high damping materials is discussed; and the bases of the new analysis method are detailed. The proposed inverse method minimizes the residue between the experimental and theoretical dynamic response at certain discrete frequencies selected by the user in order to identify the parameters of the material constitutive model. Thus, the material properties are identified in the whole bandwidth under study and not just at resonances. Moreover, the use of control frequencies makes the method insensitive to experimental noise and the efficiency is notably enhanced. Therefore, the number of tests required is drastically reduced and the overall process is carried out faster and more accurately. The effectiveness of the proposed method is demonstrated with the characterization of a CLD (constrained layer damping) cantilever beam. First, the elastic properties of the constraining layers are identified from the dynamic response of a metallic cantilever beam. Then, the viscoelastic properties of the core, represented by a four-parameter fractional derivative model, are identified from the dynamic response of a CLD cantilever beam.
A Framework for Local Mechanical Characterization of Atherosclerotic Plaques: Combination of Ultrasound Displacement Imaging and Inverse Finite Element Analysis.

PubMed

Akyildiz, Ali C; Hansen, Hendrik H G; Nieuwstadt, Harm A; Speelman, Lambert; De Korte, Chris L; van der Steen, Antonius F W; Gijsen, Frank J H

2016-04-01

Biomechanical models have the potential to predict plaque rupture. For reliable models, correct material properties of plaque components are a prerequisite. This study presents a new technique, where high resolution ultrasound displacement imaging and inverse finite element (FE) modeling is combined, to estimate material properties of plaque components. Iliac arteries with plaques were excised from 6 atherosclerotic pigs and subjected to an inflation test with pressures ranging from 10 to 120 mmHg. The arteries were imaged with high frequency 40 MHz ultrasound. Deformation maps of the plaques were reconstructed by cross correlation of the ultrasound radiofrequency data. Subsequently, the arteries were perfusion fixed for histology and structural components were identified. The histological data were registered to the ultrasound data to construct FE model of the plaques. Material properties of the arterial wall and the intima of the atherosclerotic plaques were estimated using a grid search method. The computed displacement fields showed good agreement with the measured displacement fields, implying that the FE models were able to capture local inhomogeneities within the plaque. On average, nonlinear stiffening of both the wall and the intima was observed, and the wall of the atheroslcerotic porcine iliac arteries was markedly stiffer than the intima (877 ± 459 vs. 100 ± 68 kPa at 100 mmHg). The large spread in the data further illustrates the wide variation of the material properties. We demonstrated the feasibility of a mixed experimental-numerical framework to determine the material properties of arterial wall and intima of atherosclerotic plaques from intact arteries, and concluded that, due to the observed variation, plaque specific properties are required for accurate stress simulations.
Statistical Analysis of CMC Constituent and Processing Data

NASA Technical Reports Server (NTRS)

Fornuff, Jonathan

2004-01-01

Ceramic Matrix Composites (CMCs) are the next "big thing" in high-temperature structural materials. In the case of jet engines, it is widely believed that the metallic superalloys currently being utilized for hot structures (combustors, shrouds, turbine vanes and blades) are nearing their potential limits of improvement. In order to allow for increased turbine temperatures to increase engine efficiency, material scientists have begun looking toward advanced CMCs and SiC/SiC composites in particular. Ceramic composites provide greater strength-to-weight ratios at higher temperatures than metallic alloys, but at the same time require greater challenges in micro-structural optimization that in turn increases the cost of the material as well as increases the risk of variability in the material s thermo-structural behavior. to model various potential CMC engine materials and examines the current variability in these properties due to variability in component processing conditions and constituent materials; then, to see how processing and constituent variations effect key strength, stiffness, and thermal properties of the finished components. Basically, this means trying to model variations in the component s behavior by knowing what went into creating it. inter-phase and manufactured by chemical vapor infiltration (CVI) and melt infiltration (MI) were considered. Examinations of: (1) the percent constituents by volume, (2) the inter-phase thickness, (3) variations in the total porosity, and (4) variations in the chemical composition of the Sic fiber are carried out and modeled using various codes used here at NASA-Glenn (PCGina, NASALife, CEMCAN, etc...). The effects of these variations and the ranking of their respective influences on the various thermo-mechanical material properties are studied and compared to available test data. The properties of the materials as well as minor changes to geometry are then made to the computer model and the detrimental effects observed using statistical analysis software. The ultimate purpose of this study is to determine what variations in material processing can lead to the most critical changes in the materials property. The work I have taken part in this summer explores, in general, the key properties needed In this study SiC/SiC composites of varying architectures, utilizing a boron-nitride (BN)
Approximation of properties of hyperelastic materials with use of energy-based models and biaxial tension data

NASA Astrophysics Data System (ADS)

Jamróz, Weronika

2016-06-01

The paper shows the way enrgy-based models aproximate mechanical properties of hiperelastic materials. Main goal of research was to create a method of finding a set of material constants that are included in a strain energy function that constitutes a heart of an energy-based model. The most optimal set of material constants determines the best adjustment of a theoretical stress-strain relation to the experimental one. This kind of adjustment enables better prediction of behaviour of a chosen material. In order to obtain more precised solution the approximation was made with use of data obtained in a modern experiment widely describen in [1]. To save computation time main algorithm is based on genetic algorithms.
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.

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
Elevated Temperature Testing and Modeling of Advanced Toughened Ceramic Materials

NASA Technical Reports Server (NTRS)

Keith, Theo G.

2005-01-01

The purpose of this report is to provide a final report for the period of 12/1/03 through 11/30/04 for NASA Cooperative Agreement NCC3-776, entitled "Elevated Temperature Testing and Modeling of Advanced Toughened Ceramic Materials." During this final period, major efforts were focused on both the determination of mechanical properties of advanced ceramic materials and the development of mechanical test methodologies under several different programs of the NASA-Glenn. The important research activities made during this period are: 1. Mechanical properties evaluation of two gas-turbine grade silicon nitrides. 2) Mechanical testing for fuel-cell seal materials. 3) Mechanical properties evaluation of thermal barrier coatings and CFCCs and 4) Foreign object damage (FOD) testing.
Stochastic Analysis and Design of Heterogeneous Microstructural Materials System

NASA Astrophysics Data System (ADS)

Xu, Hongyi

Advanced materials system refers to new materials that are comprised of multiple traditional constituents but complex microstructure morphologies, which lead to superior properties over the conventional materials. To accelerate the development of new advanced materials system, the objective of this dissertation is to develop a computational design framework and the associated techniques for design automation of microstructure materials systems, with an emphasis on addressing the uncertainties associated with the heterogeneity of microstructural materials. Five key research tasks are identified: design representation, design evaluation, design synthesis, material informatics and uncertainty quantification. Design representation of microstructure includes statistical characterization and stochastic reconstruction. This dissertation develops a new descriptor-based methodology, which characterizes 2D microstructures using descriptors of composition, dispersion and geometry. Statistics of 3D descriptors are predicted based on 2D information to enable 2D-to-3D reconstruction. An efficient sequential reconstruction algorithm is developed to reconstruct statistically equivalent random 3D digital microstructures. In design evaluation, a stochastic decomposition and reassembly strategy is developed to deal with the high computational costs and uncertainties induced by material heterogeneity. The properties of Representative Volume Elements (RVE) are predicted by stochastically reassembling SVE elements with stochastic properties into a coarse representation of the RVE. In design synthesis, a new descriptor-based design framework is developed, which integrates computational methods of microstructure characterization and reconstruction, sensitivity analysis, Design of Experiments (DOE), metamodeling and optimization the enable parametric optimization of the microstructure for achieving the desired material properties. Material informatics is studied to efficiently reduce the dimension of microstructure design space. This dissertation develops a machine learning-based methodology to identify the key microstructure descriptors that highly impact properties of interest. In uncertainty quantification, a comparative study on data-driven random process models is conducted to provide guidance for choosing the most accurate model in statistical uncertainty quantification. Two new goodness-of-fit metrics are developed to provide quantitative measurements of random process models' accuracy. The benefits of the proposed methods are demonstrated by the example of designing the microstructure of polymer nanocomposites. This dissertation provides material-generic, intelligent modeling/design methodologies and techniques to accelerate the process of analyzing and designing new microstructural materials system.
Nonlinear Analytical Modeling of Interfacial Phenomenon and Nano-Size Microstructural Features to Better Correlate Nde Electronic Property Measurements to Material State

NASA Astrophysics Data System (ADS)

Roubidoux, J. A.; Jackson, J. E.; Lasseigne, A. N.; Mishra, B.; Olson, D. L.

2010-02-01

This paper correlates nonlinear material properties to nondestructive electronic measurements by using wave analysis techniques (e.g. Perturbation Methods) and incorporating higher-order phenomena. The correlations suggest that nondestructive electronic property measurements and practices can be used to assess thin films, surface layers, and other advanced materials that exhibit modified behaviors based on their space-charged interfacial behavior.
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.
Determination of orthotropic mechanical properties of 3D printed parts for structural health monitoring

NASA Astrophysics Data System (ADS)

Poissenot-Arrigoni, Bastien; Scheyer, Austin; Anton, Steven R.

2017-04-01

The evolution of additive manufacturing has allowed engineers to use 3D printing for many purposes. As a natural consequence of the 3D printing process, the printed object is anisotropic. As part of an ongoing project to embed piezoelectric devices in 3D printed structures for structural health monitoring (SHM), this study aims to find the mechanical properties of the 3D printed material and the influence of different external factors on those properties. The orthotropic mechanical properties of a 3D printed structure are dependent on the printing parameters used to create the structure. In order to develop an orthotropic material model, mechanical properties will be found experimentally from additively manufactured samples created from polylactic acid (PLA) using a consumer-level fused deposition modeling (FDM) printer; the Lulzbot TAZ 6. Nine mechanical constants including three Young's moduli, three Poisson's ratios, and three shear moduli are needed to fully describe the 3D elastic behavior of the material. Printed specimens with different raster orientations and print orientations allow calculation of the different material constants. In this work, seven of the nine mechanical constants were found. Two shear moduli were unable to be measured due to difficulties in printing two of the sample orientations. These mechanical properties are needed in order to develop orthotropic material models of systems employing 3D printed PLA. The results from this paper will be used to create a model of a piezoelectric transducer embedded in a 3D printed structure for structural health monitoring.
Microstructure characterization of multi-phase composites and utilization of phase change materials and recycled rubbers in cementitious materials

NASA Astrophysics Data System (ADS)

Meshgin, Pania

2011-12-01

This research focuses on two important subjects: (1) Characterization of heterogeneous microstructure of multi-phase composites and the effect of microstructural features on effective properties of the material. (2) Utilizations of phase change materials and recycled rubber particles from waste tires to improve thermal properties of insulation materials used in building envelopes. Spatial pattern of multi-phase and multidimensional internal structures of most composite materials are highly random. Quantitative description of the spatial distribution should be developed based on proper statistical models, which characterize the morphological features. For a composite material with multi-phases, the volume fraction of the phases as well as the morphological parameters of the phases have very strong influences on the effective property of the composite. These morphological parameters depend on the microstructure of each phase. This study intends to include the effect of higher order morphological details of the microstructure in the composite models. The higher order statistics, called two-point correlation functions characterize various behaviors of the composite at any two points in a stochastic field. Specifically, correlation functions of mosaic patterns are used in the study for characterizing transport properties of composite materials. One of the most effective methods to improve energy efficiency of buildings is to enhance thermal properties of insulation materials. The idea of using phase change materials and recycled rubber particles such as scrap tires in insulation materials for building envelopes has been studied.
Part-to-itself model inversion in process compensated resonance testing

NASA Astrophysics Data System (ADS)

Mayes, Alexander; Jauriqui, Leanne; Biedermann, Eric; Heffernan, Julieanne; Livings, Richard; Aldrin, John C.; Goodlet, Brent; Mazdiyasni, Siamack

2018-04-01

Process Compensated Resonance Testing (PCRT) is a non-destructive evaluation (NDE) method involving the collection and analysis of a part's resonance spectrum to characterize its material or damage state. Prior work used the finite element method (FEM) to develop forward modeling and model inversion techniques. In many cases, the inversion problem can become confounded by multiple parameters having similar effects on a part's resonance frequencies. To reduce the influence of confounding parameters and isolate the change in a part (e.g., creep), a part-to-itself (PTI) approach can be taken. A PTI approach involves inverting only the change in resonance frequencies from the before and after states of a part. This approach reduces the possible inversion parameters to only those that change in response to in-service loads and damage mechanisms. To evaluate the effectiveness of using a PTI inversion approach, creep strain and material properties were estimated in virtual and real samples using FEM inversion. Virtual and real dog bone samples composed of nickel-based superalloy Mar-M-247 were examined. Virtual samples were modeled with typically observed variations in material properties and dimensions. Creep modeling was verified with the collected resonance spectra from an incrementally crept physical sample. All samples were inverted against a model space that allowed for change in the creep damage state and the material properties but was blind to initial part dimensions. Results quantified the capabilities of PTI inversion in evaluating creep strain and material properties, as well as its sensitivity to confounding initial dimensions.
Thermoelectric studies of nanoporous thin films with adjusted pore-edge charges

NASA Astrophysics Data System (ADS)

Hao, Qing; Zhao, Hongbo; Xu, Dongchao

2017-03-01

In recent years, nanoporous thin films have been widely studied for thermoelectric applications. High thermoelectric performance is reported for nanoporous Si films, which is attributed to the dramatically reduced lattice thermal conductivity and bulk-like electrical properties. Porous materials can also be used in gas sensing applications by engineering the surface-trapped charges on pore edges. In this work, an analytical model is developed to explore the relationship between the thermoelectric properties and pore-edge charges in a periodic two-dimensional nanoporous material. The presented model can be widely used to analyze the measured electrical properties of general nanoporous thin films and two-dimensional materials.
Three-Dimensional (3D) Printing of Polymer-Metal Hybrid Materials by Fused Deposition Modeling.

PubMed

Fafenrot, Susanna; Grimmelsmann, Nils; Wortmann, Martin; Ehrmann, Andrea

2017-10-19

Fused deposition modeling (FDM) is a three-dimensional (3D) printing technology that is usually performed with polymers that are molten in a printer nozzle and placed line by line on the printing bed or the previous layer, respectively. Nowadays, hybrid materials combining polymers with functional materials are also commercially available. Especially combinations of polymers with metal particles result in printed objects with interesting optical and mechanical properties. The mechanical properties of objects printed with two of these metal-polymer blends were compared to common poly (lactide acid) (PLA) printed objects. Tensile tests and bending tests show that hybrid materials mostly containing bronze have significantly reduced mechanical properties. Tensile strengths of the 3D-printed objects were unexpectedly nearly identical with those of the original filaments, indicating sufficient quality of the printing process. Our investigations show that while FDM printing allows for producing objects with mechanical properties similar to the original materials, metal-polymer blends cannot be used for the rapid manufacturing of objects necessitating mechanical strength.
Three-Dimensional (3D) Printing of Polymer-Metal Hybrid Materials by Fused Deposition Modeling

PubMed Central

Fafenrot, Susanna; Grimmelsmann, Nils; Wortmann, Martin

2017-01-01

Fused deposition modeling (FDM) is a three-dimensional (3D) printing technology that is usually performed with polymers that are molten in a printer nozzle and placed line by line on the printing bed or the previous layer, respectively. Nowadays, hybrid materials combining polymers with functional materials are also commercially available. Especially combinations of polymers with metal particles result in printed objects with interesting optical and mechanical properties. The mechanical properties of objects printed with two of these metal-polymer blends were compared to common poly (lactide acid) (PLA) printed objects. Tensile tests and bending tests show that hybrid materials mostly containing bronze have significantly reduced mechanical properties. Tensile strengths of the 3D-printed objects were unexpectedly nearly identical with those of the original filaments, indicating sufficient quality of the printing process. Our investigations show that while FDM printing allows for producing objects with mechanical properties similar to the original materials, metal-polymer blends cannot be used for the rapid manufacturing of objects necessitating mechanical strength. PMID:29048347
Acoustic wave propagation in heterogeneous structures including experimental validation

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Dahl, Milo D.

1989-01-01

A finite element model was developed to solve for the acoustic pressure and energy fields in a heterogeneous suppressor. The derivations from the governing equations assumed that the material properties could vary with position resulting in a heterogeneous variable property two-dimensional wave equation. This eliminated the necessity of finding the boundary conditions between different materials. For a two-media region consisting of part air and part bulk absorber, a model was used to describe the bulk absorber properties in two directions. Complex metallic structures inside the air duct are simulated by simply changing element properties from air to the structural material in a pattern to describe the desired shapes. To verify the numerical theory, experiments were conducted without flow in a rectangular duct with a single folded cavity mounted above the duct and absorbing material mounted inside a cavity. Changes in a nearly plane wave sound field were measured on the wall opposite the absorbing cavity. Fairly good agreement was found in the standing wave pattern upstream of the absorber and in the decay of pressure level opposite the absorber, as a function of distance along the duct. The finite element model provides a convenient method for evaluating the acoustic properties of bulk absorbers.
Meteorite Unit Models for Structural Properties

NASA Astrophysics Data System (ADS)

Agrawal, Parul; Carlozzi, Alexander A.; Karajeh, Zaid S.; Bryson, Kathryn L.

2017-10-01

To assess the threat posed by an asteroid entering Earth’s atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the asteroid material properties is needed to achieve this objective. At present, the meteorite material found on earth are the only objects from an entering asteroid that can be used as representative material and be tested inside a laboratory. Due to complex composition, it is challenging and expensive to obtain reliable material properties by means of laboratory test for a family of meteorites. In order to circumvent this challenge, meteorite unit models are developed to determine the effective material properties including Young’s modulus, compressive and tensile strengths and Poisson’s ratio, that in turn would help deduce the properties of asteroids. The meteorite unit model is a representative volume that accounts for diverse minerals, porosity, cracks and matrix composition.The Young’s Modulus and Poisson’s Ratio in the meteorite units are calculated by performing several hundreds of Monte Carlo simulations by randomly distributing the various phases inside these units. Once these values are obtained, cracks are introduced in these units. The size, orientation and distribution of cracks are derived by CT-scans and visual scans of various meteorites. Subsequently, simulations are performed to attain stress-strain relations, strength and effective modulus values in the presence of these cracks. The meteorite unit models are presented for H, L and LL ordinary chondrites, as well as for terrestrial basalt. In the case of the latter, data from the simulations is compared with experimental data to validate the methodology. These meteorite unit models will be subsequently used in fragmentation modeling of full scale asteroids.
A review of combined experimental and computational procedures for assessing biopolymer structure–process–property relationships

PubMed Central

Gronau, Greta; Krishnaji, Sreevidhya T.; Kinahan, Michelle E.; Giesa, Tristan; Wong, Joyce Y.; Kaplan, David L.; Buehler, Markus J.

2013-01-01

Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials – elastin, silk, and collagen – and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. PMID:22938765
A review of combined experimental and computational procedures for assessing biopolymer structure-process-property relationships.

PubMed

Gronau, Greta; Krishnaji, Sreevidhya T; Kinahan, Michelle E; Giesa, Tristan; Wong, Joyce Y; Kaplan, David L; Buehler, Markus J

2012-11-01

Tailored biomaterials with tunable functional properties are desirable for many applications ranging from drug delivery to regenerative medicine. To improve the predictability of biopolymer materials functionality, multiple design parameters need to be considered, along with appropriate models. In this article we review the state of the art of synthesis and processing related to the design of biopolymers, with an emphasis on the integration of bottom-up computational modeling in the design process. We consider three prominent examples of well-studied biopolymer materials - elastin, silk, and collagen - and assess their hierarchical structure, intriguing functional properties and categorize existing approaches to study these materials. We find that an integrated design approach in which both experiments and computational modeling are used has rarely been applied for these materials due to difficulties in relating insights gained on different length- and time-scales. In this context, multiscale engineering offers a powerful means to accelerate the biomaterials design process for the development of tailored materials that suit the needs posed by the various applications. The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general. Copyright © 2012 Elsevier Ltd. All rights reserved.
Multiscale Modeling of Advanced Materials for Damage Prediction and Structural Health Monitoring

DTIC Science & Technology

2015-05-01

Viscoplasticity Model ................................................. 71 4.1. PZT (APC 850) Orthotropic Properties...surface-mounted lead zirconate titanate ( PZT ) transducer using a coupled FEM-normal mode expansion method. Other researchers have also utilized the...orthotropic material properties of the PZT piezoelectric actuators and sensors are presented in Table 4.1. A 5 cycle cosine tone burst signal, seen in
Analyzing Students' Learning Progressions throughout a Teaching Sequence on Acoustic Properties of Materials with a Model-Based Inquiry Approach

ERIC Educational Resources Information Center

Hernández, María Isabel; Couso, Digna; Pintó, Roser

2015-01-01

The study we have carried out aims to characterize 15-to 16-year-old students' learning progressions throughout the implementation of a teaching-learning sequence on the acoustic properties of materials. Our purpose is to better understand students' modeling processes about this topic and to identify how the instructional design and actual…
General Nonlinear Ferroelectric Model v. Beta

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

Dong, Wen; Robbins, Josh

2017-03-14

The purpose of this software is to function as a generalized ferroelectric material model. The material model is designed to work with existing finite element packages by providing updated information on material properties that are nonlinear and dependent on loading history. The two major nonlinear phenomena this model captures are domain-switching and phase transformation. The software itself does not contain potentially sensitive material information and instead provides a framework for different physical phenomena observed within ferroelectric materials. The model is calibrated to a specific ferroelectric material through input parameters provided by the user.
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.
Molecular deformation mechanisms of the wood cell wall material.

PubMed

Jin, Kai; Qin, Zhao; Buehler, Markus J

2015-02-01

Wood is a biological material with outstanding mechanical properties resulting from its hierarchical structure across different scales. Although earlier work has shown that the cellular structure of wood is a key factor that renders it excellent mechanical properties at light weight, the mechanical properties of the wood cell wall material itself still needs to be understood comprehensively. The wood cell wall material features a fiber reinforced composite structure, where cellulose fibrils act as stiff fibers, and hemicellulose and lignin molecules act as soft matrix. The angle between the fiber direction and the loading direction has been found to be the key factor controlling the mechanical properties. However, how the interactions between theses constitutive molecules contribute to the overall properties is still unclear, although the shearing between fibers has been proposed as a primary deformation mechanism. Here we report a molecular model of the wood cell wall material with atomistic resolution, used to assess the mechanical behavior under shear loading in order to understand the deformation mechanisms at the molecular level. The model includes an explicit description of cellulose crystals, hemicellulose, as well as lignin molecules arranged in a layered nanocomposite. The results obtained using this model show that the wood cell wall material under shear loading deforms in an elastic and then plastic manner. The plastic regime can be divided into two parts according to the different deformation mechanisms: yielding of the matrix and sliding of matrix along the cellulose surface. Our molecular dynamics study provides insights of the mechanical behavior of wood cell wall material at the molecular level, and paves a way for the multi-scale understanding of the mechanical properties of wood. Copyright © 2014 Elsevier Ltd. All rights reserved.

Dynamic shear-lag model for understanding the role of matrix in energy dissipation in fiber-reinforced composites.

PubMed

Liu, Junjie; Zhu, Wenqing; Yu, Zhongliang; Wei, Xiaoding

2018-07-01

Lightweight and high impact performance composite design is a big challenge for scientists and engineers. Inspired from well-known biological materials, e.g., the bones, spider silk, and claws of mantis shrimp, artificial composites have been synthesized for engineering applications. Presently, the design of ballistic resistant composites mainly emphasizes the utilization of light and high-strength fibers, whereas the contribution from matrix materials receives less attention. However, recent ballistic experiments on fiber-reinforced composites challenge our common sense. The use of matrix with "low-grade" properties enhances effectively the impact performance. In this study, we establish a dynamic shear-lag model to explore the energy dissipation through viscous matrix materials in fiber-reinforced composites and the associations of energy dissipation characteristics with the properties and geometries of constituents. The model suggests that an enhancement in energy dissipation before the material integrity is lost can be achieved by tuning the shear modulus and viscosity of a matrix. Furthermore, our model implies that an appropriately designed staggered microstructure, adopted by many natural composites, can repeatedly activate the energy dissipation process and thus improve dramatically the impact performance. This model demonstrates the role of matrix in energy dissipation, and stimulates new advanced material design concepts for ballistic applications. Biological composites found in nature often possess exceptional mechanical properties that man-made materials haven't be able to achieve. For example, it is predicted that a pencil thick spider silk thread can stop a flying Boeing airplane. Here, by proposing a dynamic shear-lag model, we investigate the relationships between the impact performance of a composite with the dimensions and properties of its constituents. Our analysis suggests that the impact performance of fiber-reinforced composites could improve surprisingly with "low-grade" matrix materials, and discontinuities (often regarded as "defects") may play an important role in energy dissipation. Counter-intuitive as it may seem, our work helps understanding the secrets of the outstanding dynamic properties of some biological materials, and inspire novel ideas for man-made composites. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Materials Analysis and Modeling of Underfill Materials.

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

Wyatt, Nicholas B; Chambers, Robert S.

2015-08-01

The thermal-mechanical properties of three potential underfill candidate materials for PBGA applications are characterized and reported. Two of the materials are a formulations developed at Sandia for underfill applications while the third is a commercial product that utilizes a snap-cure chemistry to drastically reduce cure time. Viscoelastic models were calibrated and fit using the property data collected for one of the Sandia formulated materials. Along with the thermal-mechanical analyses performed, a series of simple bi-material strip tests were conducted to comparatively analyze the relative effects of cure and thermal shrinkage amongst the materials under consideration. Finally, current knowledge gaps asmore » well as questions arising from the present study are identified and a path forward presented.« less
Effect of mechanical properties on erosion resistance of ductile materials

NASA Astrophysics Data System (ADS)

Levin, Boris Feliksovih

Solid particle erosion (SPE) resistance of ductile Fe, Ni, and Co-based alloys as well as commercially pure Ni and Cu was studied. A model for SPE behavior of ductile materials is presented. The model incorporates the mechanical properties of the materials at the deformation conditions associated with SPE process, as well as the evolution of these properties during the erosion induced deformation. An erosion parameter was formulated based on consideration of the energy loss during erosion, and incorporates the material's hardness and toughness at high strain rates. The erosion model predicts that materials combining high hardness and toughness can exhibit good erosion resistance. To measure mechanical properties of materials, high strain rate compression tests using Hopkinson bar technique were conducted at strain rates similar to those during erosion. From these tests, failure strength and strain during erosion were estimated and used to calculate toughness of the materials. The proposed erosion parameter shows good correlation with experimentally measured erosion rates for all tested materials. To analyze subsurface deformation during erosion, microhardness and nanoindentation tests were performed on the cross-sections of the eroded materials and the size of the plastically deformed zone and the increase in materials hardness due to erosion were determined. A nanoindentation method was developed to estimate the restitution coefficient within plastically deformed regions of the eroded samples which provides a measure of the rebounding ability of a material during particle impact. An increase in hardness near the eroded surface led to an increase in restitution coefficient. Also, the stress rates imposed below the eroded surface were comparable to those measured during high strain-rate compression tests (10sp3-10sp4 ssp{-1}). A new parameter, "area under the microhardness curve" was developed that represents the ability of a material to absorb impact energy. By incorporating this parameter into a new erosion model, good correlation was observed with experimentally measured erosion rates. An increase in area under the microhardness curve led to an increase in erosion resistance. It was shown that an increase in hardness below the eroded surface occurs mainly due to the strain-rate hardening effect. Strain-rate sensitivities of tested materials were estimated from the nanoindentation tests and showed a decrease with an increase in materials hardness. Also, materials combining high hardness and strain-rate sensitivity may offer good erosion resistance. A methodology is presented to determine the proper mechanical properties to incorporate into the erosion parameter based on the physical model of the erosion mechanism in ductile materials.
Materials and techniques for model construction

NASA Technical Reports Server (NTRS)

Wigley, D. A.

1985-01-01

The problems confronting the designer of models for cryogenic wind tunnel models are discussed with particular reference to the difficulties in obtaining appropriate data on the mechanical and physical properties of candidate materials and their fabrication technologies. The relationship between strength and toughness of alloys is discussed in the context of maximizing both and avoiding the problem of dimensional and microstructural instability. All major classes of materials used in model construction are considered in some detail and in the Appendix selected numerical data is given for the most relevant materials. The stepped-specimen program to investigate stress-induced dimensional changes in alloys is discussed in detail together with interpretation of the initial results. The methods used to bond model components are considered with particular reference to the selection of filler alloys and temperature cycles to avoid microstructural degradation and loss of mechanical properties.
Elastic and viscoelastic model of the stress history of sedimentary rocks

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

Warpinski, N.R.

A model has been developed to calculate the elastic and viscoelastic stresses which develop in rocks at depth due to burial, uplift and diagenesis. This model includes the effect of the overburden load, tectonic or geometric strains, thermal strains, varying material properties, pore pressure variations, and viscoeleastic relaxation. Calculations for some simple examples are given to show the contributions of the individual stress components due to gravity, tectonics, thermal effects and pore pressure. A complete stress history for Mesaverde rocks in the Piceance basin is calculated based on available burial history, thermal history and expected pore pressure, material property andmore » tectonic strain variations through time. These calculations show the importance of including material property changes and viscoelastic effects. 15 refs., 48 figs.« less
Characterization Report on Fuels for NEAMS Model Validation

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

Gofryk, Krzysztof

Nearly 20% of the world’s electricity today is generated by nuclear energy from uranium dioxide (UO 2) fuel. The thermal conductivity of UO 2 governs the conversion of heat produced from fission events into electricity and it is an important parameter in reactor design and safety. While nuclear fuel operates at high to very high temperatures, thermal conductivity and other materials properties lack sensitivity to temperature variations and to material variations at reactor temperatures. As a result, both the uncertainties in laboratory measurements at high temperatures and the small differences in properties of different materials inevitably lead to large uncertaintiesmore » in models and little predictive power. Conversely, properties measured at low to moderate temperatures have more sensitivity, less uncertainty, and have larger differences in properties for different materials. These variations need to be characterized as they will afford the highest predictive capability in modeling and offer best assurances for validation and verification at all temperatures. This is well emphasized in the temperature variation of the thermal conductivity of UO 2.« less
Effect of crystallographic orientations of grains on the global mechanical properties of steel sheets by depth sensing indentation

NASA Astrophysics Data System (ADS)

Burik, P.; Pesek, L.; Kejzlar, P.; Andrsova, Z.; Zubko, P.

2017-01-01

The main idea of this work is using a physical model to prepare a virtual material with required properties. The model is based on the relationship between the microstructure and mechanical properties. The macroscopic (global) mechanical properties of steel are highly dependent upon microstructure, crystallographic orientation of grains, distribution of each phase present, etc... We need to know the local mechanical properties of each phase separately in multiphase materials. The grain size is a scale, where local mechanical properties are responsible for the behavior. Nanomechanical testing using depth sensing indentation (DSI) provides a straightforward solution for quantitatively characterizing each of phases in microstructure because it is very powerful technique for characterization of materials in small volumes. The aim of this experimental investigation is: (i) to prove how the mixing rule works for local mechanical properties (indentation hardness HIT) in microstructure scale using the DSI technique on steel sheets with different microstructure; (ii) to compare measured global properties with properties achieved by mixing rule; (iii) to analyze the effect of crystallographic orientations of grains on the mixing rule.
Finite Dimensional Approximations for Continuum Multiscale Problems

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

Berlyand, Leonid

2017-01-24

The completed research project concerns the development of novel computational techniques for modeling nonlinear multiscale physical and biological phenomena. Specifically, it addresses the theoretical development and applications of the homogenization theory (coarse graining) approach to calculation of the effective properties of highly heterogenous biological and bio-inspired materials with many spatial scales and nonlinear behavior. This theory studies properties of strongly heterogeneous media in problems arising in materials science, geoscience, biology, etc. Modeling of such media raises fundamental mathematical questions, primarily in partial differential equations (PDEs) and calculus of variations, the subject of the PI’s research. The focus of completed researchmore » was on mathematical models of biological and bio-inspired materials with the common theme of multiscale analysis and coarse grain computational techniques. Biological and bio-inspired materials offer the unique ability to create environmentally clean functional materials used for energy conversion and storage. These materials are intrinsically complex, with hierarchical organization occurring on many nested length and time scales. The potential to rationally design and tailor the properties of these materials for broad energy applications has been hampered by the lack of computational techniques, which are able to bridge from the molecular to the macroscopic scale. The project addressed the challenge of computational treatments of such complex materials by the development of a synergistic approach that combines innovative multiscale modeling/analysis techniques with high performance computing.« less
Parameter estimation of a nonlinear Burger's model using nanoindentation and finite element-based inverse analysis

NASA Astrophysics Data System (ADS)

Hamim, Salah Uddin Ahmed

Nanoindentation involves probing a hard diamond tip into a material, where the load and the displacement experienced by the tip is recorded continuously. This load-displacement data is a direct function of material's innate stress-strain behavior. Thus, theoretically it is possible to extract mechanical properties of a material through nanoindentation. However, due to various nonlinearities associated with nanoindentation the process of interpreting load-displacement data into material properties is difficult. Although, simple elastic behavior can be characterized easily, a method to characterize complicated material behavior such as nonlinear viscoelasticity is still lacking. In this study, a nanoindentation-based material characterization technique is developed to characterize soft materials exhibiting nonlinear viscoelasticity. Nanoindentation experiment was modeled in finite element analysis software (ABAQUS), where a nonlinear viscoelastic behavior was incorporated using user-defined subroutine (UMAT). The model parameters were calibrated using a process called inverse analysis. In this study, a surrogate model-based approach was used for the inverse analysis. The different factors affecting the surrogate model performance are analyzed in order to optimize the performance with respect to the computational cost.
Multiphysics Modeling and Simulations of Mil A46100 Armor-Grade Martensitic Steel Gas Metal Arc Welding Process

NASA Astrophysics Data System (ADS)

Grujicic, M.; Ramaswami, S.; Snipes, J. S.; Yen, C.-F.; Cheeseman, B. A.; Montgomery, J. S.

2013-10-01

A multiphysics computational model has been developed for the conventional Gas Metal Arc Welding (GMAW) joining process and used to analyze butt-welding of MIL A46100, a prototypical high-hardness armor martensitic steel. The model consists of five distinct modules, each covering a specific aspect of the GMAW process, i.e., (a) dynamics of welding-gun behavior; (b) heat transfer from the electric arc and mass transfer from the electrode to the weld; (c) development of thermal and mechanical fields during the GMAW process; (d) the associated evolution and spatial distribution of the material microstructure throughout the weld region; and (e) the final spatial distribution of the as-welded material properties. To make the newly developed GMAW process model applicable to MIL A46100, the basic physical-metallurgy concepts and principles for this material have to be investigated and properly accounted for/modeled. The newly developed GMAW process model enables establishment of the relationship between the GMAW process parameters (e.g., open circuit voltage, welding current, electrode diameter, electrode-tip/weld distance, filler-metal feed speed, and gun travel speed), workpiece material chemistry, and the spatial distribution of as-welded material microstructure and properties. The predictions of the present GMAW model pertaining to the spatial distribution of the material microstructure and properties within the MIL A46100 weld region are found to be consistent with general expectations and prior observations.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Yongsoo; Chen, Chien-Chun; Scott, M. C.

Perfect crystals are rare in nature. Real materials often contain crystal defects and chemical order/disorder such as grain boundaries, dislocations, interfaces, surface reconstructions and point defects. Such disruption in periodicity strongly affects material properties and functionality. Despite rapid development of quantitative material characterization methods, correlating three-dimensional (3D) atomic arrangements of chemical order/disorder and crystal defects with material properties remains a challenge. On a parallel front, quantum mechanics calculations such as density functional theory (DFT) have progressed from the modelling of ideal bulk systems to modelling ‘real’ materials with dopants, dislocations, grain boundaries and interfaces; but these calculations rely heavily onmore » average atomic models extracted from crystallography. To improve the predictive power of first-principles calculations, there is a pressing need to use atomic coordinates of real systems beyond average crystallographic measurements. Here we determine the 3D coordinates of 6,569 iron and 16,627 platinum atoms in an iron-platinum nanoparticle, and correlate chemical order/disorder and crystal defects with material properties at the single-atom level. We identify rich structural variety with unprecedented 3D detail including atomic composition, grain boundaries, anti-phase boundaries, anti-site point defects and swap defects. We show that the experimentally measured coordinates and chemical species with 22 picometre precision can be used as direct input for DFT calculations of material properties such as atomic spin and orbital magnetic moments and local magnetocrystalline anisotropy. The work presented here combines 3D atomic structure determination of crystal defects with DFT calculations, which is expected to advance our understanding of structure–property relationships at the fundamental level.« less
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.
RANdom SAmple Consensus (RANSAC) algorithm for material-informatics: application to photovoltaic solar cells.

PubMed

Kaspi, Omer; Yosipof, Abraham; Senderowitz, Hanoch

2017-06-06

An important aspect of chemoinformatics and material-informatics is the usage of machine learning algorithms to build Quantitative Structure Activity Relationship (QSAR) models. The RANdom SAmple Consensus (RANSAC) algorithm is a predictive modeling tool widely used in the image processing field for cleaning datasets from noise. RANSAC could be used as a "one stop shop" algorithm for developing and validating QSAR models, performing outlier removal, descriptors selection, model development and predictions for test set samples using applicability domain. For "future" predictions (i.e., for samples not included in the original test set) RANSAC provides a statistical estimate for the probability of obtaining reliable predictions, i.e., predictions within a pre-defined number of standard deviations from the true values. In this work we describe the first application of RNASAC in material informatics, focusing on the analysis of solar cells. We demonstrate that for three datasets representing different metal oxide (MO) based solar cell libraries RANSAC-derived models select descriptors previously shown to correlate with key photovoltaic properties and lead to good predictive statistics for these properties. These models were subsequently used to predict the properties of virtual solar cells libraries highlighting interesting dependencies of PV properties on MO compositions.
Resolving the structure of Ti 3C 2T x MXenes through multilevel structural modeling of the atomic pair distribution function

DOE PAGES

Wesolowski, David J.; Wang, Hsiu -Wen; Page, Katharine L.; ...

2015-12-08

MXenes are a recently discovered family of two-dimensional (2D) early transition metal carbides and carbonitrides, which have already shown many attractive properties and great promise in energy storage and many other applications. But, a complex surface chemistry and small coherence length have been obstacles in some applications of MXenes, also limiting the accuracy of predictions of their properties. In this study, we describe and benchmark a novel way of modeling layered materials with real interfaces (diverse surface functional groups and stacking order between the adjacent monolayers) against experimental data. The structures of three kinds of Ti 3C 2T x MXenesmore » (T stands for surface terminating species, including O, OH, and F) produced under different synthesis conditions were resolved for the first time using atomic pair distribution function obtained by high-quality neutron total scattering. We present the true nature of the material can be easily captured with the sensitivity of neutron scattering to the surface species of interest and the detailed “third-generation” structure model. The modeling approach leads to new understanding of MXene structural properties and can replace the currently used idealized models in predictions of a variety of physical, chemical, and functional properties of Ti 3C 2-based MXenes. Moreover, the developed models can be employed to guide the design of new MXene materials with selected surface termination and controlled contact angle, catalytic, optical, electrochemical, and other properties. Finally, we suggest that the multilevel structural modeling should form the basis for a generalized methodology on modeling diffraction and pair distribution function data for 2D and layered materials.« less
Process compensated resonance testing modeling for damage evolution and uncertainty quantification

NASA Astrophysics Data System (ADS)

Biedermann, Eric; Heffernan, Julieanne; Mayes, Alexander; Gatewood, Garrett; Jauriqui, Leanne; Goodlet, Brent; Pollock, Tresa; Torbet, Chris; Aldrin, John C.; Mazdiyasni, Siamack

2017-02-01

Process Compensated Resonance Testing (PCRT) is a nondestructive evaluation (NDE) method based on the fundamentals of Resonant Ultrasound Spectroscopy (RUS). PCRT is used for material characterization, defect detection, process control and life monitoring of critical gas turbine engine and aircraft components. Forward modeling and model inversion for PCRT have the potential to greatly increase the method's material characterization capability while reducing its dependence on compiling a large population of physical resonance measurements. This paper presents progress on forward modeling studies for damage mechanisms and defects in common to structural materials for gas turbine engines. Finite element method (FEM) models of single crystal (SX) Ni-based superalloy Mar-M247 dog bones and Ti-6Al-4V cylindrical bars were created, and FEM modal analyses calculated the resonance frequencies for the samples in their baseline condition. Then the frequency effects of superalloy creep (high-temperature plastic deformation) and macroscopic texture (preferred crystallographic orientation of grains detrimental to fatigue properties) were evaluated. A PCRT sorting module for creep damage in Mar-M247 was trained with a virtual database made entirely of modeled design points. The sorting module demonstrated successful discrimination of design points with as little as 1% creep strain in the gauge section from a population of acceptable design points with a range of material and geometric variation. The resonance frequency effects of macro-scale texture in Ti-6Al-4V were quantified with forward models of cylinder samples. FEM-based model inversion was demonstrated for Mar-M247 bulk material properties and variations in crystallographic orientation. PCRT uncertainty quantification (UQ) was performed using Monte Carlo studies for Mar-M247 that quantified the overall uncertainty in resonance frequencies resulting from coupled variation in geometry, material properties, crystallographic orientation and creep damage. A model calibration process was also developed that evaluates inversion fitting to differences from a designated reference sample rather than absolute property values, yielding a reduction in fit error.
Novel Modelling Tool for Energetics

NASA Astrophysics Data System (ADS)

Dossi, Licia

Polymer science combines an understanding of chemistry and material properties to design, develop, model and manufacture new materials with special properties for new applications. The Binders by Design UK programme, funded through the Weapons Science and Technology Centre (WSTC) by the Defence Science and Technology Laboratory (Dstl), develop new polymeric materials for energetic applications that can survive over the increased operating temperature ranges of future weapon platforms and satisfy international and national regulations. A multidisciplinary team of UK chemists, physicists, modellers and end users (Cranfield University, Sheffield-Hallam University, QinetiQ, Fluid Gravity Engineering, BAE Systems UK Land and Roxel UK) research together on the synthesis, characterisation and modelling of novel macromolecules with very promising thermal properties. Group Interaction Modelling supported by molecular mechanics calculations is used for a rapid assessment and selection of candidate molecules. New model and simulation protocols suitable for investigating the glass transition behaviour of HTPB oligomers are developed. The continuum level models and a constitutive model for a binder/energetic system are developing, for application in safety assessments (e.g. low-velocity impact tests).
Modeling property evolution of container materials used in nuclear waste storage

NASA Astrophysics Data System (ADS)

Li, Dongsheng; Garmestani, Hamid; Khaleel, Moe; Sun, Xin

2010-03-01

Container materials under irradiation for a long time will raise high energy in the structure to generate critical structural damage. This study investigated what kind of mesoscale microstructure will be more resistant to radiation damage. Mechanical properties evolution during irradiation was modeled using statistical continuum mechanics. Preliminary results also showed how to achieve the desired microstructure with higher resistance to radiation.
Comparisons of node-based and element-based approaches of assigning bone material properties onto subject-specific finite element models.

PubMed

Chen, G; Wu, F Y; Liu, Z C; Yang, K; Cui, F

2015-08-01

Subject-specific finite element (FE) models can be generated from computed tomography (CT) datasets of a bone. A key step is assigning material properties automatically onto finite element models, which remains a great challenge. This paper proposes a node-based assignment approach and also compares it with the element-based approach in the literature. Both approaches were implemented using ABAQUS. The assignment procedure is divided into two steps: generating the data file of the image intensity of a bone in a MATLAB program and reading the data file into ABAQUS via user subroutines. The node-based approach assigns the material properties to each node of the finite element mesh, while the element-based approach assigns the material properties directly to each integration point of an element. Both approaches are independent from the type of elements. A number of FE meshes are tested and both give accurate solutions; comparatively the node-based approach involves less programming effort. The node-based approach is also independent from the type of analyses; it has been tested on the nonlinear analysis of a Sawbone femur. The node-based approach substantially improves the level of automation of the assignment procedure of bone material properties. It is the simplest and most powerful approach that is applicable to many types of analyses and elements. Copyright © 2015 IPEM. Published by Elsevier Ltd. All rights reserved.
The research Of Multilayer Thermal Insulation With Mechanical Properties Based On Model Analysis Test

NASA Astrophysics Data System (ADS)

Lianhua, Yin

The heat shield of aircraft is made of the major thrusts structure with multilayer thermal insulation part. For protecting against thermo-radiation from larger thrusting force engine,the heat shield is installed around this engine nearby.The multilayer thermal insulation part with multilayer radiation/reflection structure is made of reflection layer and interval layer.At vacuum condition,these materials is higher heat insulation capability than other material,is applied for lots of pats on aircraft extensively.But because of these material is made of metal and nonmetal,it is impossible to receive it's mechanical properties of materials from mechanical tests.These paper describes a new measure of mechanical properties of materials in the heat shield based on model analysis test.At the requirement for the first order lateral frequency,these measure provide for the FEM analysis foundation on the optimization structure of the heat shield.
Understanding gas adsorption in MOF-5/graphene oxide composite materials.

PubMed

Lin, Li-Chiang; Paik, Dooam; Kim, Jihan

2017-05-10

Metal-organic framework (MOF) and graphene oxide (GO) composite materials (MOF/GO) have been regarded as promising for separation applications due to their synergistically enhanced adsorption properties. Molecular-level understandings of these materials, however, remain unknown to date. In this study, molecular simulations were used, for the first time, to model these composite materials. Specifically, the composite MOF-5/GO material was modeled as stacks of sandwich-like layers on top of one another, consistent with experimental observations inferred from XRD and the SEM images. Simulations indicate that CO 2 and CH 4 bind strongly in the MOF/GO interface region, resulting in synergistically enhanced adsorption properties. To exploit the interface region, we found that in simulating linear alkanes, larger guest molecules show substantially improved adsorption properties in composites compared to the parent MOF-5 structure, illustrating that the performance of adsorption in these molecules will benefit the most from the MOF/GO composites.

Optically inspired biomechanical model of the human eyeball.

PubMed

Sródka, Wieslaw; Iskander, D Robert

2008-01-01

Currently available biomechanical models of the human eyeball focus mainly on the geometries and material properties of its components while little attention has been given to its optics--the eye's primary function. We postulate that in the evolution process, the mechanical structure of the eyeball has been influenced by its optical functions. We develop a numerical finite element analysis-based model in which the eyeball geometry and its material properties are linked to the optical functions of the eye. This is achieved by controlling in the model all essential optical functions while still choosing material properties from a range of clinically available data. In particular, it is assumed that in a certain range of intraocular pressures, the eye is able to maintain focus. This so-called property of optical self-adjustments provides a more constrained set of numerical solutions in which the number of free model parameters significantly decreases, leading to models that are more robust. Further, we investigate two specific cases of a model that satisfies optical self-adjustment: (1) a full model in which the cornea is flexibly attached to sclera at the limbus, and (2) a fixed cornea model in which the cornea is not allowed to move at the limbus. We conclude that for a biomechanical model of the eyeball to mimic the optical function of a real eye, it is crucial that the cornea is allowed to move at the limbal junction, that the materials used for the cornea and sclera are strongly nonlinear, and that their moduli of elasticity remain in a very close relationship.
A material sensitivity study on the accuracy of deformable organ registration using linear biomechanical models

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

Chi, Y.; Liang, J.; Yan, D.

2006-02-15

Model-based deformable organ registration techniques using the finite element method (FEM) have recently been investigated intensively and applied to image-guided adaptive radiotherapy (IGART). These techniques assume that human organs are linearly elastic material, and their mechanical properties are predetermined. Unfortunately, the accurate measurement of the tissue material properties is challenging and the properties usually vary between patients. A common issue is therefore the achievable accuracy of the calculation due to the limited access to tissue elastic material constants. In this study, we performed a systematic investigation on this subject based on tissue biomechanics and computer simulations to establish the relationshipsmore » between achievable registration accuracy and tissue mechanical and organ geometrical properties. Primarily we focused on image registration for three organs: rectal wall, bladder wall, and prostate. The tissue anisotropy due to orientation preference in tissue fiber alignment is captured by using an orthotropic or a transversely isotropic elastic model. First we developed biomechanical models for the rectal wall, bladder wall, and prostate using simplified geometries and investigated the effect of varying material parameters on the resulting organ deformation. Then computer models based on patient image data were constructed, and image registrations were performed. The sensitivity of registration errors was studied by perturbating the tissue material properties from their mean values while fixing the boundary conditions. The simulation results demonstrated that registration error for a subvolume increases as its distance from the boundary increases. Also, a variable associated with material stability was found to be a dominant factor in registration accuracy in the context of material uncertainty. For hollow thin organs such as rectal walls and bladder walls, the registration errors are limited. Given 30% in material uncertainty, the registration error is limited to within 1.3 mm. For a solid organ such as the prostate, the registration errors are much larger. Given 30% in material uncertainty, the registration error can reach 4.5 mm. However, the registration error distribution for prostates shows that most of the subvolumes have a much smaller registration error. A deformable organ registration technique that uses FEM is a good candidate in IGART if the mean material parameters are available.« less
Coal conversion systems design and process modeling. Volume 1: Application of MPPR and Aspen computer models

NASA Technical Reports Server (NTRS)

1981-01-01

The development of a coal gasification system design and mass and energy balance simulation program for the TVA and other similar facilities is described. The materials-process-product model (MPPM) and the advanced system for process engineering (ASPEN) computer program were selected from available steady state and dynamic models. The MPPM was selected to serve as the basis for development of system level design model structure because it provided the capability for process block material and energy balance and high-level systems sizing and costing. The ASPEN simulation serves as the basis for assessing detailed component models for the system design modeling program. The ASPEN components were analyzed to identify particular process blocks and data packages (physical properties) which could be extracted and used in the system design modeling program. While ASPEN physical properties calculation routines are capable of generating physical properties required for process simulation, not all required physical property data are available, and must be user-entered.
Universal fragment descriptors for predicting properties of inorganic crystals

NASA Astrophysics Data System (ADS)

Isayev, Olexandr; Oses, Corey; Toher, Cormac; Gossett, Eric; Curtarolo, Stefano; Tropsha, Alexander

2017-06-01

Although historically materials discovery has been driven by a laborious trial-and-error process, knowledge-driven materials design can now be enabled by the rational combination of Machine Learning methods and materials databases. Here, data from the AFLOW repository for ab initio calculations is combined with Quantitative Materials Structure-Property Relationship models to predict important properties: metal/insulator classification, band gap energy, bulk/shear moduli, Debye temperature and heat capacities. The prediction's accuracy compares well with the quality of the training data for virtually any stoichiometric inorganic crystalline material, reciprocating the available thermomechanical experimental data. The universality of the approach is attributed to the construction of the descriptors: Property-Labelled Materials Fragments. The representations require only minimal structural input allowing straightforward implementations of simple heuristic design rules.
Universal fragment descriptors for predicting properties of inorganic crystals.

PubMed

Isayev, Olexandr; Oses, Corey; Toher, Cormac; Gossett, Eric; Curtarolo, Stefano; Tropsha, Alexander

2017-06-05

Although historically materials discovery has been driven by a laborious trial-and-error process, knowledge-driven materials design can now be enabled by the rational combination of Machine Learning methods and materials databases. Here, data from the AFLOW repository for ab initio calculations is combined with Quantitative Materials Structure-Property Relationship models to predict important properties: metal/insulator classification, band gap energy, bulk/shear moduli, Debye temperature and heat capacities. The prediction's accuracy compares well with the quality of the training data for virtually any stoichiometric inorganic crystalline material, reciprocating the available thermomechanical experimental data. The universality of the approach is attributed to the construction of the descriptors: Property-Labelled Materials Fragments. The representations require only minimal structural input allowing straightforward implementations of simple heuristic design rules.
Variations on a theme - the evolution of hydrocarbon solids. I. Compositional and spectral modelling - the eRCN and DG models

NASA Astrophysics Data System (ADS)

Jones, A. P.

2012-04-01

Context. The compositional properties of hydrogenated amorphous carbons are known to evolve in response to the local conditions. Aims: We present a model for low-temperature, amorphous hydrocarbon solids, based on the microphysical properties of random and defected networks of carbon and hydrogen atoms, that can be used to study and predict the evolution of their properties in the interstellar medium. Methods: We adopt an adaptable and prescriptive approach to model these materials, which is based on a random covalent network (RCN) model, extended here to a full compositional derivation (the eRCN model), and a defective graphite (DG) model for the hydrogen poorer materials where the eRCN model is no longer valid. Results: We provide simple expressions that enable the determination of the structural, infrared and spectral properties of amorphous hydrocarbon grains as a function of the hydrogen atomic fraction, XH. Structural annealing, resulting from hydrogen atom loss, results in a transition from H-rich, aliphatic-rich to H-poor, aromatic-rich materials. Conclusions: The model predicts changes in the optical properties of hydrogenated amorphous carbon dust in response to the likely UV photon-driven and/or thermal annealing processes resulting, principally, from the radiation field in the environment. We show how this dust component will evolve, compositionally and structurally in the interstellar medium in response to the local conditions. Appendices A and B are available in electronic form at http://www.aanda.org
Magnetic Modeling of a Rotating Flux Concentrator System Designed to Mitigate Noise in Large Magnetic Sensors

DTIC Science & Technology

2010-09-01

region were defined as a background. The flux concentrators were drawn as solid pieces and assigned the material properties of permalloy ( NiFe ), with...assigning properties (coercivity, permeability, etc.) to the objects, assigning boundaries or sources, seeding the objects and creating a mesh, and then...a permeability of 5000 as that is a value readily achieved in this material. The material properties assigned to this background are those of a
Inclusion of Regional Poroelastic Material Properties Better Predicts Biomechanical Behavior of Lumbar Discs Subjected to Dynamic Loading

PubMed Central

Williams, Jamie R.; Natarajan, Raghu N.; Andersson, Gunnar B.J.

2009-01-01

Understanding the relationship between repetitive lifting and the breakdown of disc tissue over several years of exposure is difficult to study in vivo and in vitro. The aim of this investigation was to develop a three-dimensional poroelastic finite element model of a lumbar motion segment that reflects the biological properties and behaviors of in vivo disc tissues including swelling pressure due to the proteoglycans and strain dependent permeability and porosity. It was hypothesized that when modeling the annulus, prescribing tissue specific material properties will not be adequate for studying the in vivo loading and unloading behavior of the disc. Rather, regional variations of these properties, which are known to exist within the annulus, must also be included. Finite element predictions were compared to in vivo measurements published by Tyrrell et al., (Tyrrell et al., 1985) of percent change in total stature for two loading protocols, short-term creep loading and standing recovery and short-term cyclic loading with standing recovery. The model in which the regional variations of material properties in the annulus had been included provided an overall better prediction of the in vivo behavior as compared to the model in which the annulus properties were assumed to be homogenous. This model will now be used to study the relationship between repetitive lifting and disc degeneration. PMID:17156786
Mechanical Properties of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling and Experiments

NASA Technical Reports Server (NTRS)

Hadden, C. M.; Klimek-McDonald, D. R.; Pineda, E. J.; King, J. A.; Reichanadter, A. M.; Miskioglu, I.; Gowtham, S.; Odegard, G. M.

2015-01-01

Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite while the effect on the axial properties is shown to be insignificant.
Mechanical Properties of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling and Experiments

NASA Technical Reports Server (NTRS)

Hadden, C. M.; Klimek-McDonald, D. R.; Pineda, E. J.; King, J. A.; Reichanadter, A. M.; Miskioglu, I.; Gowtham, S.; Odegard, G. M.

2015-01-01

Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite, while the effect on the axial properties is shown to be insignificant.
Mechanical Properties of Graphene Nanoplatelet Carbon Fiber Epoxy Hybrid Composites: Multiscale Modeling and Experiments

NASA Technical Reports Server (NTRS)

Hadden, Cameron M.; Klimek-McDonald, Danielle R.; Pineda, Evan J.; King, Julie A.; Reichanadter, Alex M.; Miskioglu, Ibrahim; Gowtham, S.; Odegard, Gregory M.

2015-01-01

Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite, while the effect on the axial properties is shown to be insignificant.
Substructure Versus Property-Level Dispersed Modes Calculation

NASA Technical Reports Server (NTRS)

Stewart, Eric C.; Peck, Jeff A.; Bush, T. Jason; Fulcher, Clay W.

2016-01-01

This paper calculates the effect of perturbed finite element mass and stiffness values on the eigenvectors and eigenvalues of the finite element model. The structure is perturbed in two ways: at the "subelement" level and at the material property level. In the subelement eigenvalue uncertainty analysis the mass and stiffness of each subelement is perturbed by a factor before being assembled into the global matrices. In the property-level eigenvalue uncertainty analysis all material density and stiffness parameters of the structure are perturbed modified prior to the eigenvalue analysis. The eigenvalue and eigenvector dispersions of each analysis (subelement and property-level) are also calculated using an analytical sensitivity approximation. Two structural models are used to compare these methods: a cantilevered beam model, and a model of the Space Launch System. For each structural model it is shown how well the analytical sensitivity modes approximate the exact modes when the uncertainties are applied at the subelement level and at the property level.
Electrical and Thermal Transport Property Studies of High-Temperature Thermoelectric Materials.

DTIC Science & Technology

1985-06-01

THERMAL TRANSPORT PROPERTY STUDIES OF HIGH-TEMPERATURE THERMOELECTRIC MATERIALS: INTERIM TECHNICAL REPORT FOR THE PERIOD MAY 15, 1984 TO MAY 15, 1985 J. L...transport property data base has been expanded oy continued measurements in several systems under study, and a theoretical model for thermoelectric ...6.0 REFERENCES . . . . . . . . . . . . 6.1 APPENDIX A - THERMOELECTRIC PROPERTY DATA . . . . . . . A. I 1l FIGURES 3.1 Dimensionless Figure of Merit
Sensitivity studies of pediatric material properties on juvenile lumbar spine responses using finite element analysis.

PubMed

Jebaseelan, D Davidson; Jebaraj, C; Yoganandan, Narayan; Rajasekaran, S; Kanna, Rishi M

2012-05-01

The objective of the study was to determine the sensitivity of material properties of the juvenile spine to its external and internal responses using a finite element model under compression, and flexion-extension bending moments. The methodology included exercising the 8-year-old juvenile lumbar spine using parametric procedures. The model included the vertebral centrum, growth plates, laminae, pedicles, transverse processes and spinous processes; disc annulus and nucleus; and various ligaments. The sensitivity analysis was conducted by varying the modulus of elasticity for various components. The first simulation was done using mean material properties. Additional simulations were done for each component corresponding to low and high material property variations. External displacement/rotation and internal stress-strain responses were determined under compression and flexion-extension bending. Results indicated that, under compression, disc properties were more sensitive than bone properties, implying an elevated role of the disc under this mode. Under flexion-extension moments, ligament properties were more dominant than the other components, suggesting that various ligaments of the juvenile spine play a key role in modulating bending behaviors. Changes in the growth plate stress associated with ligament properties explained the importance of the growth plate in the pediatric spine with potential implications in progressive deformities.
Toward a systematic exploration of nano-bio interactions

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

Bai, Xue; Liu, Fang; Liu, Yin

Many studies of nanomaterials make non-systematic alterations of nanoparticle physicochemical properties. Given the immense size of the property space for nanomaterials, such approaches are not very useful in elucidating fundamental relationships between inherent physicochemical properties of these materials and their interactions with, and effects on, biological systems. Data driven artificial intelligence methods such as machine learning algorithms have proven highly effective in generating models with good predictivity and some degree of interpretability. They can provide a viable method of reducing or eliminating animal testing. However, careful experimental design with the modelling of the results in mind is a proven andmore » efficient way of exploring large materials spaces. This approach, coupled with high speed automated experimental synthesis and characterization technologies now appearing, is the fastest route to developing models that regulatory bodies may find useful. We advocate greatly increased focus on systematic modification of physicochemical properties of nanoparticles combined with comprehensive biological evaluation and computational analysis. This is essential to obtain better mechanistic understanding of nano-bio interactions, and to derive quantitatively predictive and robust models for the properties of nanomaterials that have useful domains of applicability. - Highlights: • Nanomaterials studies make non-systematic alterations to nanoparticle properties. • Vast nanomaterials property spaces require systematic studies of nano-bio interactions. • Experimental design and modelling are efficient ways of exploring materials spaces. • We advocate systematic modification and computational analysis to probe nano-bio interactions.« less
From Tomography to Material Properties of Thermal Protection Systems

NASA Technical Reports Server (NTRS)

Mansour, Nagi N.; Panerai, Francesco; Ferguson, Joseph C.; Borner, Arnaud; Barnhardt, Michael; Wright, Michael

2017-01-01

A NASA Ames Research Center (ARC) effort, under the Entry Systems Modeling (ESM) project, aims at developing micro-tomography (micro-CT) experiments and simulations for studying materials used in hypersonic entry systems. X-ray micro-tomography allows for non-destructive 3D imaging of a materials micro-structure at the sub-micron scale, providing fiber-scale representations of porous thermal protection systems (TPS) materials. The technique has also allowed for In-situ experiments that can resolve response phenomena under realistic environmental conditions such as high temperature, mechanical loads, and oxidizing atmospheres. Simulation tools have been developed at the NASA Ames Research Center to determine material properties and material response from the high-fidelity tomographic representations of the porous materials with the goal of informing macroscopic TPS response models and guiding future TPS design.
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
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.
Understanding and Predicting the Thermal Explosion Violence of HMX-Based and RDX-Based Explosives - Experimental Measurements of Material Properties and Reaction Violence

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

Maienschein, J L; Wardell, J F; Weese, R K

The violence of thermal explosions with energetic materials is affected by many material properties, including mechanical and thermal properties, thermal ignition kinetics, and deflagration behavior. These properties must be characterized for heated samples as well as pristine materials. We present available data for these properties for two HMX-based formulations--LX-04 and PBX-9501, and two RDX-based formulations--Composition B and PBXN-109. We draw upon separately published data on the thermal explosion violence with these materials to compare the material properties with the observed violence. We have the most extensive data on deflagration behavior of these four formulations, and we discuss the correlation ofmore » the deflagration data with the violence results. The data reported here may also be used to develop models for application in simulation codes such as ALE3D to calculate and Dredict thermal explosion violence.« less
Material modeling of biofilm mechanical properties.

PubMed

Laspidou, C S; Spyrou, L A; Aravas, N; Rittmann, B E

2014-05-01

A biofilm material model and a procedure for numerical integration are developed in this article. They enable calculation of a composite Young's modulus that varies in the biofilm and evolves with deformation. The biofilm-material model makes it possible to introduce a modeling example, produced by the Unified Multi-Component Cellular Automaton model, into the general-purpose finite-element code ABAQUS. Compressive, tensile, and shear loads are imposed, and the way the biofilm mechanical properties evolve is assessed. Results show that the local values of Young's modulus increase under compressive loading, since compression results in the voids "closing," thus making the material stiffer. For the opposite reason, biofilm stiffness decreases when tensile loads are imposed. Furthermore, the biofilm is more compliant in shear than in compression or tension due to the how the elastic shear modulus relates to Young's modulus. Copyright © 2014 Elsevier Inc. All rights reserved.

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.
User-defined Material Model for Thermo-mechanical Progressive Failure Analysis

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.

2008-01-01

Previously a user-defined material model for orthotropic bimodulus materials was developed for linear and nonlinear stress analysis of composite structures using either shell or solid finite elements within a nonlinear finite element analysis tool. Extensions of this user-defined material model to thermo-mechanical progressive failure analysis are described, and the required input data are documented. The extensions include providing for temperature-dependent material properties, archival of the elastic strains, and a thermal strain calculation for materials exhibiting a stress-free temperature.
Predicting the Highly Nonlinear Mechanical Properties of Polymeric Materials

NASA Astrophysics Data System (ADS)

Porter, David

2009-06-01

Over the past few years, we have developed models that calculate the highly nonlinear mechanical properties of polymers as a function of temperature, strain and strain rate from their molecular and morphological structure. A review of these models is presented here, with emphasis on combining the fundamental aspects of molecular physics that dictate these properties and the pragmatic need to make realistic predictions for our customers; the designer of new materials and the engineers who use these materials. The models calculate the highly nonlinear mechanical properties of polymers as a function of temperature, strain and strain rate from their molecular structure. The model is based upon the premise that mechanical properties are a direct consequence of energy stored and energy dissipated during deformation of a material. This premise is transformed into a consistent set of structure-property relations for the equation of state, EoS, and the engineering constitutive relations in a polymer by quantifying energy storage and loss at the molecular level of interactions between characteristic groups of atoms in a polymer. These relations are derived from a simple volumetric mean field Lennard-Jones potential function for the potential energy of intermolecular interactions in a polymer. First, properties such as temperature-volume relations and glass transition temperature are calculated directly from the potential function. Then, the `shock' EoS is derived simply by differentiating the potential function with respect to volume, assuming that the molecules cannot relax in the time scales of the deformation. The energy components are then used to predict the dynamic mechanical spectrum of a polymer in terms of temperature and rate. This can be transformed directly into the highly nonlinear stress-strain relations through yield. The constitutive relations are formulated as a set of analytical equations that predict properties directly in terms of a small set of structural parameters that can be calculated directly and independently from the chemical composition and morphology of a polymer. A number of examples are given to illustrate the model and also to show that the method can be applied, with appropriate modifications, to other materials.
Finite-difference time-domain simulation of electromagnetic bandgap and bi-anisotropic metamaterials

NASA Astrophysics Data System (ADS)

Bray, Matthew G.

The term "Metamaterial" has been introduced into the electromagnetic lexicon in recent years to describe new artificial materials with electromagnetic properties that are not found in naturally occurring materials. Metamaterials exhibit electromagnetic properties that are not observed in its constituent materials, and/or not observed in nature. This thesis will analyze two different classes of metamaterials through the use of the finite-difference time-domain (FDTD) technique. The first class of metamaterials are artificial magnetic conductors (AMC) which approximate the behavior of a perfect magnetic conductor (PMC) over a finite frequency range. The AMC metamaterials are created through the use of an electromagnetic bandgap (EBG) structure. A periodic FDTD code is used to simulate a full-wave model of the metallodielectric EBG structures. The AMCs developed with the aid of the FDTD tool are then used to create low-profile antenna systems consisting of a dipole antenna in close proximity to an AMC surface. Through the use of this FDTD tool, several original contributions were made to the electromagnetic community. These include the first dual-band independently tunable EBG AMC ground plane and the first linearly polarized single-band and dual-band tunable antenna/EBG systems. The second class of materials analyzed are bi-anisotropic metamaterials. Bi-anisotropic media are the largest class of linear media which is able to describe the macroscopic material properties of artificial dielectrics, artificial magnetics, artificial chiral materials, left-handed materials, and other composite materials. The dispersive properties of these materials can be approximated by the oscillator model. This model assumes a Lorentzian frequency profile for the permittivity and permeability and a Condon model for chirality. A new FDTD formulation is introduced which can simulate this type of bi-anisotropic media. This FDTD method incorporates the dispersive material properties through a Z-transform technique derived from the constitutive relations for bi-anisotropic media. This is the first FDTD formulation to be able to simulate dispersive chiral media on a single FDTD grid. This tool was also used to perform the first simulations of dispersive chiral frequency selective surfaces.
Modeling Framework for Fracture in Multiscale Cement-Based Material Structures

PubMed Central

Qian, Zhiwei; Schlangen, Erik; Ye, Guang; van Breugel, Klaas

2017-01-01

Multiscale modeling for cement-based materials, such as concrete, is a relatively young subject, but there are already a number of different approaches to study different aspects of these classical materials. In this paper, the parameter-passing multiscale modeling scheme is established and applied to address the multiscale modeling problem for the integrated system of cement paste, mortar, and concrete. The block-by-block technique is employed to solve the length scale overlap challenge between the mortar level (0.1–10 mm) and the concrete level (1–40 mm). The microstructures of cement paste are simulated by the HYMOSTRUC3D model, and the material structures of mortar and concrete are simulated by the Anm material model. Afterwards the 3D lattice fracture model is used to evaluate their mechanical performance by simulating a uniaxial tensile test. The simulated output properties at a lower scale are passed to the next higher scale to serve as input local properties. A three-level multiscale lattice fracture analysis is demonstrated, including cement paste at the micrometer scale, mortar at the millimeter scale, and concrete at centimeter scale. PMID:28772948
Wave propagation in composite media and material characterization

NASA Technical Reports Server (NTRS)

Datta, Subhendu K.; Shah, A. H.; Karunasena, W.

1990-01-01

Characteristics of wave propagation in an undamaged composite medium are influenced by many factors, the most important of which are: microstructure, constituent properties, interfaces, residual stress fields, and ply lay-ups. Measurements of wave velocities, attenuation, and dispersion provide a powerful tool for nondestructive evaluation of these properties. Recent developments are reviewed for modeling ultrasonic wave propagation in fiber and particle-reinforced composite media. Additionally, some modeling studies are reviewed for the effects of interfaces and layering on attenuation and dispersion. These studies indicate possible ways of characterizing material properties by ultrasonic means.
The Charging of Composites in the Space Environment

NASA Technical Reports Server (NTRS)

Czepiela, Steven A.

1997-01-01

Deep dielectric charging and subsequent electrostatic discharge in composite materials used on spacecraft have become greater concerns since composite materials are being used more extensively as main structural components. Deep dielectric charging occurs when high energy particles penetrate and deposit themselves in the insulating material of spacecraft components. These deposited particles induce an electric field in the material, which causes the particles to move and thus changes the electric field. The electric field continues to change until a steady state is reached between the incoming particles from the space environment and the particles moving away due to the electric field. An electrostatic discharge occurs when the electric field is greater than the dielectric strength of the composite material. The goal of the current investigation is to investigate deep dielectric charging in composite materials and ascertain what modifications have to be made to the composite properties to alleviate any breakdown issues. A 1-D model was created. The space environment, which is calculated using the Environmental Workbench software, the composite material properties, and the electric field and voltage boundary conditions are input into the model. The output from the model is the charge density, electric field, and voltage distributions as functions of the depth into the material and time. Analysis using the model show that there should be no deep dielectric charging problem with conductive composites such as carbon fiber/epoxy. With insulating materials such as glass fiber/epoxy, Kevlar, and polymers, there is also no concern of deep dielectric charging problems with average day-to-day particle fluxes. However, problems can arise during geomagnetic substorms and solar particle events where particle flux levels increase by several orders of magnitude, and thus increase the electric field in the material by several orders of magnitude. Therefore, the second part of this investigation was an experimental attempt to measure the continuum electrical properties of a carbon fiber/epoxy composite, and to create a composite with tailorable conductivity without affecting its mechanical properties. The measurement of the conductivity and dielectric strength of carbon fiber/epoxy composites showed that these properties are surface layer dominated and difficult to measure. In the second experimental task, the conductivity of a glass fiber/epoxy composite was increased by 3 orders of magnitude, dielectric constant was increased approximately by a factor of 16, with minimal change to the mechanical properties, by adding conductive carbon black to the epoxy.
Study of vibrational modes and specific heat of wurtzite phase of BN

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

Singh, Daljit, E-mail: daljit.jt@gmail.com; Sinha, M. M.

2016-05-06

In these days of nanotechnology the materials like BN is of utmost importance as in hexagonal phase it is among hardest materials. The phonon mode study of the materials is most important factor to find structural and thermodynamcal properties. To study the phonons de launey angular force (DAF) constant model is best suited as it involves many particle interactions. Therefore in this presentation we have studied the lattice dynamical properties and specific heat of BN in wurtzite phase using DAF model. The obtained results are in excellent agreement with existing results.
The roles of carrier concentration and interface, bulk, and grain-boundary recombination for 25% efficient CdTe solar cells

DOE PAGES

Kanevce, A.; Reese, Matthew O.; Barnes, T. M.; ...

2017-06-06

CdTe devices have reached efficiencies of 22% due to continuing improvements in bulk material properties, including minority carrier lifetime. Device modeling has helped to guide these device improvements by quantifying the impacts of material properties and different device designs on device performance. One of the barriers to truly predictive device modeling is the interdependence of these material properties. For example, interfaces become more critical as bulk properties, particularly, hole density and carrier lifetime, increase. We present device-modeling analyses that describe the effects of recombination at the interfaces and grain boundaries as lifetime and doping of the CdTe layer change. Themore » doping and lifetime should be priorities for maximizing open-circuit voltage (V oc) and efficiency improvements. However, interface and grain boundary recombination become bottlenecks for device performance at increased lifetime and doping levels. In conclusion, this work quantifies and discusses these emerging challenges for next-generation CdTe device efficiency.« less
Thermographic Assessment of the HAZ Properties and Structure of Thermomechanically Treated Steel

NASA Astrophysics Data System (ADS)

Górka, Jacek; Janicki, Damian; Fidali, Marek; Jamrozik, Wojciech

2017-12-01

Thermomechanically processed steels are materials of great mechanical properties connected with more than good weldability. This mixture makes them interesting for different types of industrial applications. When creating welded joints, a specified amount of heat is introduced into the welding area and a so called heat-affected zone (HAZ) is formed. The key issue is to reduce the width of the HAZ, because properties of the material in the HAZ are worse than in the base material. In the paper, thermographic measurements of HAZ temperatures were presented as a potential tool for quality assuring the welding process in terms of monitoring and control. The main issue solved was the precise temperature measurement in terms of varying emissivity during a welding thermal cycle. A model of emissivity changes was elaborated and successfully applied. Additionally, material in the HAZ was tested to reveal its properties and connect changes of those properties with heating parameters. The obtained results prove that correctly modeled emissivity allows measurement of temperature, which is a valuable tool for welding process monitoring.
Exploring time-resolved photoluminescence for nanowires using a three-dimensional computational transient model.

PubMed

Ren, Dingkun; Scofield, Adam C; Farrell, Alan C; Rong, Zixuan; Haddad, Michael A; Laghumavarapu, Ramesh B; Liang, Baolai; Huffaker, Diana L

2018-04-26

Time-resolved photoluminescence (TRPL) has been implemented experimentally to measure the carrier lifetime of semiconductors for decades. For the characterization of nanowires, the rich information embedded in TRPL curves has not been fully interpreted and meaningfully mapped to the respective material properties. This is because their three-dimensional (3-D) geometries result in more complicated mechanisms of carrier recombination than those in thin films and analytical solutions cannot be found for those nanostructures. In this work, we extend the intrinsic power of TRPL by developing a full 3-D transient model, which accounts for different material properties and drift-diffusion, to simulate TRPL curves for nanowires. To show the capability of the model, we perform TRPL measurements on a set of GaAs nanowire arrays grown on silicon substrates and then fit the measured data by tuning various material properties, including carrier mobility, Shockley-Read-Hall recombination lifetime, and surface recombination velocity at the GaAs-Si heterointerface. From the resultant TRPL simulations, we numerically identify the lifetime characteristics of those material properties. In addition, we computationally map the spatial and temporal electron distributions in nanowire segments and reveal the underlying carrier dynamics. We believe this study provides a theoretical foundation for interpretation of TRPL measurements to unveil the complex carrier recombination mechanisms in 3-D nanostructured materials.
Damage assessment of composite plate structures with material and measurement uncertainty

NASA Astrophysics Data System (ADS)

Chandrashekhar, M.; Ganguli, Ranjan

2016-06-01

Composite materials are very useful in structural engineering particularly in weight sensitive applications. Two different test models of the same structure made from composite materials can display very different dynamic behavior due to large uncertainties associated with composite material properties. Also, composite structures can suffer from pre-existing imperfections like delaminations, voids or cracks during fabrication. In this paper, we show that modeling and material uncertainties in composite structures can cause considerable problem in damage assessment. A recently developed C0 shear deformable locking free refined composite plate element is employed in the numerical simulations to alleviate modeling uncertainty. A qualitative estimate of the impact of modeling uncertainty on the damage detection problem is made. A robust Fuzzy Logic System (FLS) with sliding window defuzzifier is used for delamination damage detection in composite plate type structures. The FLS is designed using variations in modal frequencies due to randomness in material properties. Probabilistic analysis is performed using Monte Carlo Simulation (MCS) on a composite plate finite element model. It is demonstrated that the FLS shows excellent robustness in delamination detection at very high levels of randomness in input data.
Investigation of α-MnO 2 Tunneled Structures as Model Cation Hosts for Energy Storage

DOE PAGES

Housel, Lisa M.; Wang, Lei; Abraham, Alyson; ...

2018-02-19

Future advances in energy storage systems rely on identification of appropriate target materials and deliberate synthesis of the target materials with control of their physiochemical properties in order to disentangling the contributions of distinct properties to the functional electrochemistry. Furthermore, this goal demands systematic inquiry using model materials that provide the opportunity for significant synthetic versatility and control. Ideally, a material family that enables direct manipulation of characteristics including composition, defects and crystallite size while remaining within the defined structural framework would be necessary. Accomplishing this through direct synthetic methods is desirable to minimize the complicating effects of secondary processing.
Investigation of α-MnO 2 Tunneled Structures as Model Cation Hosts for Energy Storage

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

Housel, Lisa M.; Wang, Lei; Abraham, Alyson

Future advances in energy storage systems rely on identification of appropriate target materials and deliberate synthesis of the target materials with control of their physiochemical properties in order to disentangling the contributions of distinct properties to the functional electrochemistry. Furthermore, this goal demands systematic inquiry using model materials that provide the opportunity for significant synthetic versatility and control. Ideally, a material family that enables direct manipulation of characteristics including composition, defects and crystallite size while remaining within the defined structural framework would be necessary. Accomplishing this through direct synthetic methods is desirable to minimize the complicating effects of secondary processing.
Energy Finite Element Analysis Developments for Vibration Analysis of Composite Aircraft Structures

NASA Technical Reports Server (NTRS)

Vlahopoulos, Nickolas; Schiller, Noah H.

2011-01-01

The Energy Finite Element Analysis (EFEA) has been utilized successfully for modeling complex structural-acoustic systems with isotropic structural material properties. In this paper, a formulation for modeling structures made out of composite materials is presented. An approach based on spectral finite element analysis is utilized first for developing the equivalent material properties for the composite material. These equivalent properties are employed in the EFEA governing differential equations for representing the composite materials and deriving the element level matrices. The power transmission characteristics at connections between members made out of non-isotropic composite material are considered for deriving suitable power transmission coefficients at junctions of interconnected members. These coefficients are utilized for computing the joint matrix that is needed to assemble the global system of EFEA equations. The global system of EFEA equations is solved numerically and the vibration levels within the entire system can be computed. The new EFEA formulation for modeling composite laminate structures is validated through comparison to test data collected from a representative composite aircraft fuselage that is made out of a composite outer shell and composite frames and stiffeners. NASA Langley constructed the composite cylinder and conducted the test measurements utilized in this work.
Constitutive Soil Properties for Cuddeback Lake, California and Carson Sink, Nevada

NASA Technical Reports Server (NTRS)

Thomas, Michael A.; Chitty, Daniel E.; Gildea, Martin L.; T'Kindt, Casey M.

2008-01-01

Accurate soil models are required for numerical simulations of land landings for the Orion Crew Exploration Vehicle. This report provides constitutive material modeling properties for four soil models from two dry lakebeds in the western United States. The four soil models are based on mechanical and compressive behavior observed during geotechnical laboratory testing of remolded soil samples from the lakebeds. The test specimens were reconstituted to measured in situ density and moisture content. Tests included: triaxial compression, hydrostatic compression, and uniaxial strain. A fit to the triaxial test results defines the strength envelope. Hydrostatic and uniaxial tests define the compressibility. The constitutive properties are presented in the format of LS-DYNA Material Model 5: Soil and Foam. However, the laboratory test data provided can be used to construct other material models. The four soil models are intended to be specific only to the two lakebeds discussed in the report. The Cuddeback A and B models represent the softest and hardest soils at Cuddeback Lake. The Carson Sink Wet and Dry models represent different seasonal conditions. It is possible to approximate other clay soils with these models, but the results would be unverified without geotechnical tests to confirm similar soil behavior.
Optical Thin Film Modeling: Using FTG's FilmStar Software

NASA Technical Reports Server (NTRS)

Freese, Scott

2009-01-01

Every material has basic optical properties that define its interaction with light: The index of refraction (n) and extinction coefficient (k) vary for the material as a function of the wavelength of the incident light. Also significant are the phase velocity and polarization of the incident light These inherent properties allow for the accurate modeling of light s behavior upon contact with a surface: Reflectance, Transmittance, Absorptance.
Process modeling for carbon-phenolic nozzle materials

NASA Technical Reports Server (NTRS)

Letson, Mischell A.; Bunker, Robert C.; Remus, Walter M., III; Clinton, R. G.

1989-01-01

A thermochemical model based on the SINDA heat transfer program is developed for carbon-phenolic nozzle material processes. The model can be used to optimize cure cycles and to predict material properties based on the types of materials and the process by which these materials are used to make nozzle components. Chemical kinetic constants for Fiberite MX4926 were determined so that optimization of cure cycles for the current Space Shuttle Solid Rocket Motor nozzle rings can be determined.
Properties of aircraft tire materials

NASA Technical Reports Server (NTRS)

Dodge, Richard N.; Clark, Samuel K.

1988-01-01

A summary is presented of measured elastomeric composite response suitable for linear structural and thermoelastic analysis in aircraft tires. Both real and loss properties are presented for a variety of operating conditions including the effects of temperature and frequency. Suitable micro-mechanics models are used for predictions of these properties for other material combinations and the applicability of laminate theory is discussed relative to measured values.
Behavior of auxetic structures under compression and impact forces

NASA Astrophysics Data System (ADS)

Yang, Chulho; Vora, Hitesh D.; Chang, Young

2018-02-01

In recent years, various auxetic material structures have been designed and fabricated for diverse applications that utilize normal materials that follow Hooke’s law but still show the properties of negative Poisson’s ratios (NPR). One potential application is body protection pads that are comfortable to wear and effective in protecting body parts by reducing impact force and preventing injuries in high-risk individuals such as elderly people, industrial workers, law enforcement and military personnel, and athletes. This paper reports an integrated theoretical, computational, and experimental investigation conducted for typical auxetic materials that exhibit NPR properties. Parametric 3D CAD models of auxetic structures such as re-entrant hexagonal cells and arrowheads were developed. Then, key structural characteristics of protection pads were evaluated through static analyses of FEA models. Finally, impact analyses were conducted through dynamic simulations of FEA models to validate the results obtained from the static analyses. Efforts were also made to relate the individual and/or combined effect of auxetic structures and materials to the overall stiffness and shock-absorption performance of the protection pads. An advanced additive manufacturing (3D printing) technique was used to build prototypes of the auxetic structures. Three different materials typically used for fused deposition modeling technology, namely polylactic acid (PLA) and thermoplastic polyurethane material (NinjaFlex® and SemiFlex®), were used for different stiffness and shock-absorption properties. The 3D printed prototypes were then tested and the results were compared to the computational predictions. The results showed that the auxetic material could be effective in reducing the shock forces. Each structure and material combination demonstrated unique structural properties such as stiffness, Poisson’s ratio, and efficiency in shock absorption. Auxetic structures showed better shock absorption performance than non-auxetic ones. The mechanism for ideal input force distribution or shunting could be suggested for designing protectors using various shapes, thicknesses, and materials of auxetic materials to reduce the risk of injury.

Characterizations and Electrical Modelling of Sensory Samples Formed from Synthesized Vanadium (V) Oxide and Copper Oxide Graphene Quantum Tunneling Composites (GQTC) Applied in Electrotribology

PubMed Central

Habdank-Wojewódzki, Tadeusz; Habdank, Josef; Cwik, Przemyslaw; Zimowski, Slawomir

2016-01-01

CuO and V2O5 graphene quantum tunneling composites (GQTC) presented in this article were produced and their sensory properties were analyzed. The composites were synthesised using two stage high-power milling process, which resulted in materials that have good temeprature and pressure sensory properties. Described production process defines internal structure of materials such that when used as sensor in the desired range, it exhibits a strong percolation effect. The experiment, with controlled changing physical conditions during electrotribological measurement, enabled analyzing of the composites’ conductivity as a function of the sensory properties: applied temperature, pressure, tangential force and wear. The sensory characteristic was successfully modelled by invertible generalized equations, and used to create sensor capable of estimating temperature or pressure in the real time. The developed materials have the potential to be applied in the areas where miniaturization is essential, due to the materials exhibiting good sensory properties in mini and micro scale. PMID:26742044
Characterizations and Electrical Modelling of Sensory Samples Formed from Synthesized Vanadium (V) Oxide and Copper Oxide Graphene Quantum Tunneling Composites (GQTC) Applied in Electrotribology.

PubMed

Habdank-Wojewódzki, Tadeusz; Habdank, Josef; Cwik, Przemyslaw; Zimowski, Slawomir

2016-01-05

CuO and V₂O₅ graphene quantum tunneling composites (GQTC) presented in this article were produced and their sensory properties were analyzed. The composites were synthesised using two stage high-power milling process, which resulted in materials that have good temeprature and pressure sensory properties. Described production process defines internal structure of materials such that when used as sensor in the desired range, it exhibits a strong percolation effect. The experiment, with controlled changing physical conditions during electrotribological measurement, enabled analyzing of the composites' conductivity as a function of the sensory properties: applied temperature, pressure, tangential force and wear. The sensory characteristic was successfully modelled by invertible generalized equations, and used to create sensor capable of estimating temperature or pressure in the real time. The developed materials have the potential to be applied in the areas where miniaturization is essential, due to the materials exhibiting good sensory properties in mini and micro scale.
Application of Chemistry in Materials Research at NASA GRC

NASA Technical Reports Server (NTRS)

Kavandi, Janet L.

2016-01-01

Overview of NASA GRC Materials Development. New materials enabled by new chemistries offering unique properties and chemical processing techniques. Durability of materials in harsh environments requires understanding and modeling of chemical interaction of materials with the environment.
Development of Design Analysis Methods for C/SiC Composite Structures

NASA Technical Reports Server (NTRS)

Sullivan, Roy M.; Mital, Subodh K.; Murthy, Pappu L. N.; Palko, Joseph L.; Cueno, Jacques C.; Koenig, John R.

2006-01-01

The stress-strain behavior at room temperature and at 1100 C (2000 F) was measured for two carbon-fiber-reinforced silicon carbide (C/SiC) composite materials: a two-dimensional plain-weave quasi-isotropic laminate and a three-dimensional angle-interlock woven composite. Micromechanics-based material models were developed for predicting the response properties of these two materials. The micromechanics based material models were calibrated by correlating the predicted material property values with the measured values. Four-point beam bending sub-element specimens were fabricated with these two fiber architectures and four-point bending tests were performed at room temperature and at 1100 C. Displacements and strains were measured at various locations along the beam and recorded as a function of load magnitude. The calibrated material models were used in concert with a nonlinear finite element solution to simulate the structural response of these two materials in the four-point beam bending tests. The structural response predicted by the nonlinear analysis method compares favorably with the measured response for both materials and for both test temperatures. Results show that the material models scale up fairly well from coupon to subcomponent level.
Multi-length-scale Material Model for SiC/SiC Ceramic-Matrix Composites (CMCs): Inclusion of In-Service Environmental Effects

NASA Astrophysics Data System (ADS)

Grujicic, M.; Galgalikar, R.; Snipes, J. S.; Ramaswami, S.

2016-01-01

In our recent work, a multi-length-scale room-temperature material model for SiC/SiC ceramic-matrix composites (CMCs) was derived and parameterized. The model was subsequently linked with a finite-element solver so that it could be used in a general room-temperature, structural/damage analysis of gas-turbine engine CMC components. Due to its multi-length-scale character, the material model enabled inclusion of the effects of fiber/tow (e.g., the volume fraction, size, and properties of the fibers; fiber-coating material/thickness; decohesion properties of the coating/matrix interfaces; etc.) and ply/lamina (e.g., the 0°/90° cross-ply versus plain-weave architectures, the extent of tow crimping in the case of the plain-weave plies, cohesive properties of the inter-ply boundaries, etc.) length-scale microstructural/architectural parameters on the mechanical response of the CMCs. One of the major limitations of the model is that it applies to the CMCs in their as-fabricated conditions (i.e., the effect of prolonged in-service environmental exposure and the associated material aging-degradation is not accounted for). In the present work, the model is upgraded to include such in-service environmental-exposure effects. To demonstrate the utility of the upgraded material model, it is used within a finite-element structural/failure analysis involving impact of a toboggan-shaped turbine shroud segment by a foreign object. The results obtained clearly revealed the effects that different aspects of the in-service environmental exposure have on the material degradation and the extent of damage suffered by the impacted CMC toboggan-shaped shroud segment.
Penetration analysis of projectile with inclined concrete target

NASA Astrophysics Data System (ADS)

Kim, S. B.; Kim, H. W.; Yoo, Y. H.

2015-09-01

This paper presents numerical analysis result of projectile penetration with concrete target. We applied dynamic material properties of 4340 steels, aluminium and explosive for projectile body. Dynamic material properties were measured with static tensile testing machine and Hopkinson pressure bar tests. Moreover, we used three concrete damage models included in LS-DYNA 3D, such as SOIL_CONCRETE, CSCM (cap model with smooth interaction) and CONCRETE_DAMAGE (K&C concrete) models. Strain rate effect for concrete material is important to predict the fracture deformation and shape of concrete, and penetration depth for projectiles. CONCRETE_DAMAGE model with strain rate effect also applied to penetration analysis. Analysis result with CSCM model shows good agreement with penetration experimental data. The projectile trace and fracture shapes of concrete target were compared with experimental data.
Characterization of Thermo-Physical Properties of EVA/ATH: Application to Gasification Experiments and Pyrolysis Modeling.

PubMed

Girardin, Bertrand; Fontaine, Gaëlle; Duquesne, Sophie; Försth, Michael; Bourbigot, Serge

2015-11-20

The pyrolysis of solid polymeric materials is a complex process that involves both chemical and physical phenomena such as phase transitions, chemical reactions, heat transfer, and mass transport of gaseous components. For modeling purposes, it is important to characterize and to quantify the properties driving those phenomena, especially in the case of flame-retarded materials. In this study, protocols have been developed to characterize the thermal conductivity and the heat capacity of an ethylene-vinyl acetate copolymer (EVA) flame retarded with aluminum tri-hydroxide (ATH). These properties were measured for the various species identified across the decomposition of the material. Namely, the thermal conductivity was found to decrease as a function of temperature before decomposition whereas the ceramic residue obtained after the decomposition at the steady state exhibits a thermal conductivity as low as 0.2 W/m/K. The heat capacity of the material was also investigated using both isothermal modulated Differential Scanning Calorimetry (DSC) and the standard method (ASTM E1269). It was shown that the final residue exhibits a similar behavior to alumina, which is consistent with the decomposition pathway of EVA/ATH. Besides, the two experimental approaches give similar results over the whole range of temperatures. Moreover, the optical properties before decomposition and the heat capacity of the decomposition gases were also analyzed. Those properties were then used as input data for a pyrolysis model in order to predict gasification experiments. Mass losses of gasification experiments were well predicted, thus validating the characterization of the thermo-physical properties of the material.
Characterization of Thermo-Physical Properties of EVA/ATH: Application to Gasification Experiments and Pyrolysis Modeling

PubMed Central

Girardin, Bertrand; Fontaine, Gaëlle; Duquesne, Sophie; Försth, Michael; Bourbigot, Serge

2015-01-01

The pyrolysis of solid polymeric materials is a complex process that involves both chemical and physical phenomena such as phase transitions, chemical reactions, heat transfer, and mass transport of gaseous components. For modeling purposes, it is important to characterize and to quantify the properties driving those phenomena, especially in the case of flame-retarded materials. In this study, protocols have been developed to characterize the thermal conductivity and the heat capacity of an ethylene-vinyl acetate copolymer (EVA) flame retarded with aluminum tri-hydroxide (ATH). These properties were measured for the various species identified across the decomposition of the material. Namely, the thermal conductivity was found to decrease as a function of temperature before decomposition whereas the ceramic residue obtained after the decomposition at the steady state exhibits a thermal conductivity as low as 0.2 W/m/K. The heat capacity of the material was also investigated using both isothermal modulated Differential Scanning Calorimetry (DSC) and the standard method (ASTM E1269). It was shown that the final residue exhibits a similar behavior to alumina, which is consistent with the decomposition pathway of EVA/ATH. Besides, the two experimental approaches give similar results over the whole range of temperatures. Moreover, the optical properties before decomposition and the heat capacity of the decomposition gases were also analyzed. Those properties were then used as input data for a pyrolysis model in order to predict gasification experiments. Mass losses of gasification experiments were well predicted, thus validating the characterization of the thermo-physical properties of the material. PMID:28793682
Meteorite Material Model for Structural Properties

NASA Astrophysics Data System (ADS)

Agrawal, P.; Carlozzi, A. A.; Karajeh, Z. S.; Bryson, K. L.

2017-07-01

In order to prepare material models for the entire family of asteroids, meteorite units are developed for ordinary chondrites. The meteorite unit is a representative volume that accounts for diverse minerals, porosity, cracks and matrix composition.
Submillimeter and far-infrared dielectric properties of thin films

NASA Astrophysics Data System (ADS)

Cataldo, Giuseppe; Wollack, Edward J.

2016-07-01

The complex dielectric function enables the study of a material's refractive and absorptive properties and provides information on a material's potential for practical application. Commonly employed line shape profile functions from the literature are briefly surveyed and their suitability for representation of dielectric material properties are discussed. An analysis approach to derive a material's complex dielectric function from observed transmittance spectra in the far-infrared and submillimeter regimes is presented. The underlying model employed satisfies the requirements set by the Kramers-Kronig relations. The dielectric function parameters derived from this approachtypically reproduce the observed transmittance spectra with an accuracy of < 4%.
Effect of roll compaction on granule size distribution of microcrystalline cellulose–mannitol mixtures: computational intelligence modeling and parametric analysis

PubMed Central

Kazemi, Pezhman; Khalid, Mohammad Hassan; Pérez Gago, Ana; Kleinebudde, Peter; Jachowicz, Renata; Szlęk, Jakub; Mendyk, Aleksander

2017-01-01

Dry granulation using roll compaction is a typical unit operation for producing solid dosage forms in the pharmaceutical industry. Dry granulation is commonly used if the powder mixture is sensitive to heat and moisture and has poor flow properties. The output of roll compaction is compacted ribbons that exhibit different properties based on the adjusted process parameters. These ribbons are then milled into granules and finally compressed into tablets. The properties of the ribbons directly affect the granule size distribution (GSD) and the quality of final products; thus, it is imperative to study the effect of roll compaction process parameters on GSD. The understanding of how the roll compactor process parameters and material properties interact with each other will allow accurate control of the process, leading to the implementation of quality by design practices. Computational intelligence (CI) methods have a great potential for being used within the scope of quality by design approach. The main objective of this study was to show how the computational intelligence techniques can be useful to predict the GSD by using different process conditions of roll compaction and material properties. Different techniques such as multiple linear regression, artificial neural networks, random forest, Cubist and k-nearest neighbors algorithm assisted by sevenfold cross-validation were used to present generalized models for the prediction of GSD based on roll compaction process setting and material properties. The normalized root-mean-squared error and the coefficient of determination (R2) were used for model assessment. The best fit was obtained by Cubist model (normalized root-mean-squared error =3.22%, R2=0.95). Based on the results, it was confirmed that the material properties (true density) followed by compaction force have the most significant effect on GSD. PMID:28176905
Effect of roll compaction on granule size distribution of microcrystalline cellulose-mannitol mixtures: computational intelligence modeling and parametric analysis.

PubMed

Kazemi, Pezhman; Khalid, Mohammad Hassan; Pérez Gago, Ana; Kleinebudde, Peter; Jachowicz, Renata; Szlęk, Jakub; Mendyk, Aleksander

2017-01-01

Dry granulation using roll compaction is a typical unit operation for producing solid dosage forms in the pharmaceutical industry. Dry granulation is commonly used if the powder mixture is sensitive to heat and moisture and has poor flow properties. The output of roll compaction is compacted ribbons that exhibit different properties based on the adjusted process parameters. These ribbons are then milled into granules and finally compressed into tablets. The properties of the ribbons directly affect the granule size distribution (GSD) and the quality of final products; thus, it is imperative to study the effect of roll compaction process parameters on GSD. The understanding of how the roll compactor process parameters and material properties interact with each other will allow accurate control of the process, leading to the implementation of quality by design practices. Computational intelligence (CI) methods have a great potential for being used within the scope of quality by design approach. The main objective of this study was to show how the computational intelligence techniques can be useful to predict the GSD by using different process conditions of roll compaction and material properties. Different techniques such as multiple linear regression, artificial neural networks, random forest, Cubist and k-nearest neighbors algorithm assisted by sevenfold cross-validation were used to present generalized models for the prediction of GSD based on roll compaction process setting and material properties. The normalized root-mean-squared error and the coefficient of determination ( R 2 ) were used for model assessment. The best fit was obtained by Cubist model (normalized root-mean-squared error =3.22%, R 2 =0.95). Based on the results, it was confirmed that the material properties (true density) followed by compaction force have the most significant effect on GSD.
Physical, Hydraulic, and Transport Properties of Sediments and Engineered Materials Associated with Hanford Immobilized Low-Activity Waste

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

Rockhold, Mark L.; Zhang, Z. F.; Meyer, Philip D.

2015-02-28

Current plans for treatment and disposal of immobilized low-activity waste (ILAW) from Hanford’s underground waste storage tanks include vitrification and storage of the glass waste form in a nearsurface disposal facility. This Integrated Disposal Facility (IDF) is located in the 200 East Area of the Hanford Central Plateau. Performance assessment (PA) of the IDF requires numerical modeling of subsurface flow and reactive transport processes over very long periods (thousands of years). The models used to predict facility performance require parameters describing various physical, hydraulic, and transport properties. This report provides updated estimates of physical, hydraulic, and transport properties and parametersmore » for both near- and far-field materials, intended for use in future IDF PA modeling efforts. Previous work on physical and hydraulic property characterization for earlier IDF PA analyses is reviewed and summarized. For near-field materials, portions of this document and parameter estimates are taken from an earlier data package. For far-field materials, a critical review is provided of methodologies used in previous data packages. Alternative methods are described and associated parameters are provided.« less
A universal model for nanoporous carbon supercapacitors applicable to diverse pore regimes, carbon materials, and electrolytes.

PubMed

Huang, Jingsong; Sumpter, Bobby G; Meunier, Vincent

2008-01-01

Supercapacitors, commonly called electric double-layer capacitors (EDLCs), are emerging as a novel type of energy-storage device with the potential to substitute batteries in applications that require high power densities. In response to the latest experimental breakthrough in nanoporous carbon supercapacitors, we propose a heuristic theoretical model that takes pore curvature into account as a replacement for the EDLC model, which is based on a traditional parallel-plate capacitor. When the pore size is in the mesopore regime (2-50 nm), counterions enter mesoporous carbon materials and approach the pore wall to form an electric double-cylinder capacitor (EDCC); in the micropore regime (<2 nm), solvated/desolvated counterions line up along the pore axis to form an electric wire-in-cylinder capacitor (EWCC). In the macropore regime (>50 nm) at which pores are large enough so that pore curvature is no longer significant, the EDCC model can be reduced naturally to the EDLC model. We present density functional theory calculations and detailed analyses of available experimental data in various pore regimes, which show the significant effects of pore curvature on the supercapacitor properties of nanoporous carbon materials. It is shown that the EDCC/EWCC model is universal for carbon supercapacitors with diverse carbon materials, including activated carbon materials, template carbon materials, and novel carbide-derived carbon materials, and with diverse electrolytes, including organic electrolytes, such as tetraethylammonium tetrafluoroborate (TEABF(4)) and tetraethylammonium methylsulfonate (TEAMS) in acetonitrile, aqueous H(2)SO(4) and KOH electrolytes, and even an ionic liquid electrolyte, such as 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide (EMI-TFSI). The EDCC/EWCC model allows the supercapacitor properties to be correlated with pore size, specific surface area, Debye length, electrolyte concentration and dielectric constant, and solute ion size It may lend support for the systematic optimization of the properties of carbon supercapacitors through experiments. On the basis of the insight obtained from the new model, we also discuss the effects of the kinetic solvation/desolvation process, multimodal (versus unimodal) pore size distribution, and exohedral (versus endohedral) capacitors on the electrochemical properties of supercapacitors.
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.
Quantifying dynamic mechanical properties of human placenta tissue using optimization techniques with specimen-specific finite-element models.

PubMed

Hu, Jingwen; Klinich, Kathleen D; Miller, Carl S; Nazmi, Giseli; Pearlman, Mark D; Schneider, Lawrence W; Rupp, Jonathan D

2009-11-13

Motor-vehicle crashes are the leading cause of fetal deaths resulting from maternal trauma in the United States, and placental abruption is the most common cause of these deaths. To minimize this injury, new assessment tools, such as crash-test dummies and computational models of pregnant women, are needed to evaluate vehicle restraint systems with respect to reducing the risk of placental abruption. Developing these models requires accurate material properties for tissues in the pregnant abdomen under dynamic loading conditions that can occur in crashes. A method has been developed for determining dynamic material properties of human soft tissues that combines results from uniaxial tensile tests, specimen-specific finite-element models based on laser scans that accurately capture non-uniform tissue-specimen geometry, and optimization techniques. The current study applies this method to characterizing material properties of placental tissue. For 21 placenta specimens tested at a strain rate of 12/s, the mean failure strain is 0.472+/-0.097 and the mean failure stress is 34.80+/-12.62 kPa. A first-order Ogden material model with ground-state shear modulus (mu) of 23.97+/-5.52 kPa and exponent (alpha(1)) of 3.66+/-1.90 best fits the test results. The new method provides a nearly 40% error reduction (p<0.001) compared to traditional curve-fitting methods by considering detailed specimen geometry, loading conditions, and dynamic effects from high-speed loading. The proposed method can be applied to determine mechanical properties of other soft biological tissues.
Shell-binary nanoparticle materials with variable electrical and electro-mechanical properties.

PubMed

Zhang, P; Bousack, H; Dai, Y; Offenhäusser, A; Mayer, D

2018-01-18

Nanoparticle (NP) materials with the capability to adjust their electrical and electro-mechanical properties facilitate applications in strain sensing technology. Traditional NP materials based on single component NPs lack a systematic and effective means of tuning their electrical and electro-mechanical properties. Here, we report on a new type of shell-binary NP material fabricated by self-assembly with either homogeneous or heterogeneous arrangements of NPs. Variable electrical and electro-mechanical properties were obtained for both materials. We show that the electrical and electro-mechanical properties of these shell-binary NP materials are highly tunable and strongly affected by the NP species as well as their corresponding volume fraction ratio. The conductivity and the gauge factor of these shell-binary NP materials can be altered by about five and two orders of magnitude, respectively. These shell-binary NP materials with different arrangements of NPs also demonstrate different volume fraction dependent electro-mechanical properties. The shell-binary NP materials with a heterogeneous arrangement of NPs exhibit a peaking of the sensitivity at medium mixing ratios, which arises from the aggregation induced local strain enhancement. Studies on the electron transport regimes and micro-morphologies of these shell-binary NP materials revealed the different mechanisms accounting for the variable electrical and electro-mechanical properties. A model based on effective medium theory is used to describe the electrical and electro-mechanical properties of such shell-binary nanomaterials and shows an excellent match with experiment data. These shell-binary NP materials possess great potential applications in high-performance strain sensing technology due to their variable electrical and electro-mechanical properties.
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties

NASA Astrophysics Data System (ADS)

Xie, Tian; Grossman, Jeffrey C.

2018-04-01

The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either constrains the model to certain crystal types or makes it difficult to provide chemical insights. Here, we develop a crystal graph convolutional neural networks framework to directly learn material properties from the connection of atoms in the crystal, providing a universal and interpretable representation of crystalline materials. Our method provides a highly accurate prediction of density functional theory calculated properties for eight different properties of crystals with various structure types and compositions after being trained with 1 04 data points. Further, our framework is interpretable because one can extract the contributions from local chemical environments to global properties. Using an example of perovskites, we show how this information can be utilized to discover empirical rules for materials design.
Processing, Properties and Arc Jet Testing of HfB2/SiC

NASA Technical Reports Server (NTRS)

Johnson, Sylvia M.; Beckman, Sarah; Irby, Edward; Ellerby, Don; Gasch, Matt; Gusman, Michael

2004-01-01

Contents include the following: Background on Ultra High Temperature Ceramics - UHTCs. Summary UNTC processing: power processing, scale-up. Preliminary material properties: mechanical, thermal. Arc jet testing: flat face models, cone models. Summary.
Volcano deformation source parameters estimated from InSAR: Sensitivities to uncertainties in seismic tomography

USGS Publications Warehouse

Masterlark, Timothy; Donovan, Theodore; Feigl, Kurt L.; Haney, Matt; Thurber, Clifford H.; Tung, Sui

2016-01-01

The eruption cycle of a volcano is controlled in part by the upward migration of magma. The characteristics of the magma flux produce a deformation signature at the Earth's surface. Inverse analyses use geodetic data to estimate strategic controlling parameters that describe the position and pressurization of a magma chamber at depth. The specific distribution of material properties controls how observed surface deformation translates to source parameter estimates. Seismic tomography models describe the spatial distributions of material properties that are necessary for accurate models of volcano deformation. This study investigates how uncertainties in seismic tomography models propagate into variations in the estimates of volcano deformation source parameters inverted from geodetic data. We conduct finite element model-based nonlinear inverse analyses of interferometric synthetic aperture radar (InSAR) data for Okmok volcano, Alaska, as an example. We then analyze the estimated parameters and their uncertainties to characterize the magma chamber. Analyses are performed separately for models simulating a pressurized chamber embedded in a homogeneous domain as well as for a domain having a heterogeneous distribution of material properties according to seismic tomography. The estimated depth of the source is sensitive to the distribution of material properties. The estimated depths for the homogeneous and heterogeneous domains are 2666 ± 42 and 3527 ± 56 m below mean sea level, respectively (99% confidence). A Monte Carlo analysis indicates that uncertainties of the seismic tomography cannot account for this discrepancy at the 99% confidence level. Accounting for the spatial distribution of elastic properties according to seismic tomography significantly improves the fit of the deformation model predictions and significantly influences estimates for parameters that describe the location of a pressurized magma chamber.

A multiscale model for predicting the viscoelastic properties of asphalt concrete

NASA Astrophysics Data System (ADS)

Garcia Cucalon, Lorena; Rahmani, Eisa; Little, Dallas N.; Allen, David H.

2016-08-01

It is well known that the accurate prediction of long term performance of asphalt concrete pavement requires modeling to account for viscoelasticity within the mastic. However, accounting for viscoelasticity can be costly when the material properties are measured at the scale of asphalt concrete. This is due to the fact that the material testing protocols must be performed recursively for each mixture considered for use in the final design.
PREFACE: 1st International Conference on Rheology and Modeling of Materials

NASA Astrophysics Data System (ADS)

Gömze, László A.

2015-04-01

Understanding the rheological properties of materials and their rheological behaviors during their manufacturing processes and in their applications in many cases can help to increase the efficiency and competitiveness not only of the finished goods and products but the organizations and societies also. The more scientific supported and prepared organizations develop more competitive products with better thermal, mechanical, physical, chemical and biological properties and the leading companies apply more competitive knowledge, materials, equipment and technology processes. The idea to organize in Hungary the 1st International Conference on Rheology and Modeling of Materials we have received from prospective scientists, physicists, chemists, mathematicians and engineers from Asia, Europe, North and South America including India, Korea, Russia, Turkey, Estonia, France, Italy, United Kingdom, Chile, Mexico and USA. The goals of ic-rmm1 the 1st International Conference on Rheology and Modeling of Materials are the following: • Promote new methods and results of scientific research in the fields of modeling and measurements of rheological properties and behavior of materials under processing and applications. • Change information between the theoretical and applied sciences as well as technical and technological implantations. • Promote the communication between the scientists of different disciplines, nations, countries and continents. The international conference ic-rmm1 provides a platform among the leading international scientists, researchers, PhD students and engineers for discussing recent achievements in measurement, modeling and application of rheology in materials technology and materials science of liquids, melts, solids, crystals and amorphous structures. Among the major fields of interest are the influences of material structures, mechanical stresses temperature and deformation speeds on rheological and physical properties, phase transformation of foams, foods, polymers, plastics and other competitive materials like ceramics, nanomaterials, medical- and biomaterials, cosmetics, coatings, light metals, alloys, glasses, films, composites, hetero-modulus, hetero-viscous, hetero-plastic complex materials, petrochemicals and hybrid materials, ...etc. Multidisciplinary applications of rheology and rheological modeling in material science and technology encountered in sectors like alloys, ceramics, glasses, thin films, polymers, clays, construction materials, energy, aerospace, automotive and marine industry. Rheology in food, chemistry, medicine, biosciences and environmental sciences are of particular interests. In accordance to the program of the conference ic-rmm1 more than 160 inquiries and registrations were received from 51 countries. Finally the scientists and researchers have arrived to our conference from 42 countries. Including co-authors, the research work of more than 300 scientists are presented in this book.
Hot Isostatic Press Manufacturing Process Development for Fabrication of RERTR Monolithic Fuel Plates

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

Crapps, Justin M.; Clarke, Kester D.; Katz, Joel D.

2012-06-06

We use experimentation and finite element modeling to study a Hot Isostatic Press (HIP) manufacturing process for U-10Mo Monolithic Fuel Plates. Finite element simulations are used to identify the material properties affecting the process and improve the process geometry. Accounting for the high temperature material properties and plasticity is important to obtain qualitative agreement between model and experimental results. The model allows us to improve the process geometry and provide guidance on selection of material and finish conditions for the process strongbacks. We conclude that the HIP can must be fully filled to provide uniform normal stress across the bondingmore » interface.« less
Galileo Probe forebody thermal protection

NASA Technical Reports Server (NTRS)

Green, M. J.; Davy, W. C.

1981-01-01

Material response solutions for the forebody heat shield on the candidate 310-kg Galileo Probe are presented. A charring material ablation analysis predicts thermochemical surface recession, insulation thickness, and total required heat shield mass. Benchmark shock layer solutions provide the imposed entry heating environments on the ablating surface. Heat shield sizing results are given for a nominal entry into modeled nominal and cool-heavy Jovian atmospheres, and for two heat-shield property models. The nominally designed heat shield requires a mass of at least 126 kg and would require an additional 13 kg to survive entry into the less probable cool-heavy atmosphere. The material-property model with a 30% surface reflectance reduces these mass requirements by as much as 16%.
A Study of Upgraded Phenolic Curing for RSRM Nozzle Rings

NASA Technical Reports Server (NTRS)

Smartt, Ziba

2000-01-01

A thermochemical cure model for predicting temperature and degree of cure profiles in curing phenolic parts was developed, validated and refined over several years. The model supports optimization of cure cycles and allows input of properties based upon the types of material and the process by which these materials are used to make nozzle components. The model has been refined to use sophisticated computer graphics to demonstrate the changes in temperature and degree of cure during the curing process. The effort discussed in the paper will be the conversion from an outdated solid modeling input program and SINDA analysis code to an integrated solid modeling and analysis package (I-DEAS solid model and TMG). Also discussed will be the incorporation of updated material properties obtained during full scale curing tests into the cure models and the results for all the Reusable Solid Rocket Motor (RSRM) nozzle rings.
Uncertain dynamic analysis for rigid-flexible mechanisms with random geometry and material properties

NASA Astrophysics Data System (ADS)

Wu, Jinglai; Luo, Zhen; Zhang, Nong; Zhang, Yunqing; Walker, Paul D.

2017-02-01

This paper proposes an uncertain modelling and computational method to analyze dynamic responses of rigid-flexible multibody systems (or mechanisms) with random geometry and material properties. Firstly, the deterministic model for the rigid-flexible multibody system is built with the absolute node coordinate formula (ANCF), in which the flexible parts are modeled by using ANCF elements, while the rigid parts are described by ANCF reference nodes (ANCF-RNs). Secondly, uncertainty for the geometry of rigid parts is expressed as uniform random variables, while the uncertainty for the material properties of flexible parts is modeled as a continuous random field, which is further discretized to Gaussian random variables using a series expansion method. Finally, a non-intrusive numerical method is developed to solve the dynamic equations of systems involving both types of random variables, which systematically integrates the deterministic generalized-α solver with Latin Hypercube sampling (LHS) and Polynomial Chaos (PC) expansion. The benchmark slider-crank mechanism is used as a numerical example to demonstrate the characteristics of the proposed method.
A FEM-based method to determine the complex material properties of piezoelectric disks.

PubMed

Pérez, N; Carbonari, R C; Andrade, M A B; Buiochi, F; Adamowski, J C

2014-08-01

Numerical simulations allow modeling piezoelectric devices and ultrasonic transducers. However, the accuracy in the results is limited by the precise knowledge of the elastic, dielectric and piezoelectric properties of the piezoelectric material. To introduce the energy losses, these properties can be represented by complex numbers, where the real part of the model essentially determines the resonance frequencies and the imaginary part determines the amplitude of each resonant mode. In this work, a method based on the Finite Element Method (FEM) is modified to obtain the imaginary material properties of piezoelectric disks. The material properties are determined from the electrical impedance curve of the disk, which is measured by an impedance analyzer. The method consists in obtaining the material properties that minimize the error between experimental and numerical impedance curves over a wide range of frequencies. The proposed methodology starts with a sensitivity analysis of each parameter, determining the influence of each parameter over a set of resonant modes. Sensitivity results are used to implement a preliminary algorithm approaching the solution in order to avoid the search to be trapped into a local minimum. The method is applied to determine the material properties of a Pz27 disk sample from Ferroperm. The obtained properties are used to calculate the electrical impedance curve of the disk with a Finite Element algorithm, which is compared with the experimental electrical impedance curve. Additionally, the results were validated by comparing the numerical displacement profile with the displacements measured by a laser Doppler vibrometer. The comparison between the numerical and experimental results shows excellent agreement for both electrical impedance curve and for the displacement profile over the disk surface. The agreement between numerical and experimental displacement profiles shows that, although only the electrical impedance curve is considered in the adjustment procedure, the obtained material properties allow simulating the displacement amplitude accurately. Copyright © 2014 Elsevier B.V. All rights reserved.
Overview of thermal conductivity models of anisotropic thermal insulation materials

NASA Astrophysics Data System (ADS)

Skurikhin, A. V.; Kostanovsky, A. V.

2017-11-01

Currently, the most of existing materials and substances under elaboration are anisotropic. It makes certain difficulties in the study of heat transfer process. Thermal conductivity of the materials can be characterized by tensor of the second order. Also, the parallelism between the temperature gradient vector and the density of heat flow vector is violated in anisotropic thermal insulation materials (TIM). One of the most famous TIM is a family of integrated thermal insulation refractory material («ITIRM»). The main component ensuring its properties is the «inflated» vermiculite. Natural mineral vermiculite is ground into powder state, fired by gas burner for dehydration, and its precipitate is then compressed. The key feature of thus treated batch of vermiculite is a package structure. The properties of the material lead to a slow heating of manufactured products due to low absorption and high radiation reflection. The maximum of reflection function is referred to infrared spectral region. A review of current models of heat propagation in anisotropic thermal insulation materials is carried out, as well as analysis of their thermal and optical properties. A theoretical model, which allows to determine the heat conductivity «ITIRM», can be useful in the study of thermal characteristics such as specific heat capacity, temperature conductivity, and others. Materials as «ITIRM» can be used in the metallurgy industry, thermal energy and nuclear power-engineering.
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.
Simulation based estimation of dynamic mechanical properties for viscoelastic materials used for vocal fold models

NASA Astrophysics Data System (ADS)

Rupitsch, Stefan J.; Ilg, Jürgen; Sutor, Alexander; Lerch, Reinhard; Döllinger, Michael

2011-08-01

In order to obtain a deeper understanding of the human phonation process and the mechanisms generating sound, realistic setups are built up containing artificial vocal folds. Usually, these vocal folds consist of viscoelastic materials (e.g., polyurethane mixtures). Reliable simulation based studies on the setups require the mechanical properties of the utilized viscoelastic materials. The aim of this work is the identification of mechanical material parameters (Young's modulus, Poisson's ratio, and loss factor) for those materials. Therefore, we suggest a low-cost measurement setup, the so-called vibration transmission analyzer (VTA) enabling to analyze the transfer behavior of viscoelastic materials for propagating mechanical waves. With the aid of a mathematical Inverse Method, the material parameters are adjusted in a convenient way so that the simulation results coincide with the measurement results for the transfer behavior. Contrary to other works, we determine frequency dependent functions for the mechanical properties characterizing the viscoelastic material in the frequency range of human speech (100-250 Hz). The results for three different materials clearly show that the Poisson's ratio is close to 0.5 and that the Young's modulus increases with higher frequencies. For a frequency of 400 Hz, the Young's modulus of the investigated viscoelastic materials is approximately 80% higher than for the static case (0 Hz). We verify the identified mechanical properties with experiments on fabricated vocal fold models. Thereby, only small deviations between measurements and simulations occur.
Corrigendum to "Preliminary assessment of accident-tolerant fuels on LWR performance during normal operation and under DB and BDB accident conditions" [J. Nucl. Mater. 448 (2014) 520-533

NASA Astrophysics Data System (ADS)

Ott, L. J.; Robb, K. R.; Wang, D.

2015-06-01

In Section 5.2, certain material properties for "FeCrAl oxide" were not modeled based on "stainless steel oxide" as indicated in the text. Instead, the "FeCrAl oxide" material properties were modeled using the default properties in MELCOR for "zirconium oxide". The properties affected are the FeCrAl oxide density, specific heat, enthalpy, thermal conductivity, melting point, and latent heat of fusion. Table 5.1 and Figs. 5.1a-d from Section 5.2 have been corrected below. As discussed below, the overall conclusions of the paper remain unchanged.
Identification of Upper and Lower Level Yield Strength in Materials.

PubMed

Valíček, Jan; Harničárová, Marta; Kopal, Ivan; Palková, Zuzana; Kušnerová, Milena; Panda, Anton; Šepelák, Vladimír

2017-08-23

This work evaluates the possibility of identifying mechanical parameters, especially upper and lower yield points, by the analytical processing of specific elements of the topography of surfaces generated with abrasive waterjet technology. We developed a new system of equations, which are connected with each other in such a way that the result of a calculation is a comprehensive mathematical-physical model, which describes numerically as well as graphically the deformation process of material cutting using an abrasive waterjet. The results of our model have been successfully checked against those obtained by means of a tensile test. The main prospect for future applications of the method presented in this article concerns the identification of mechanical parameters associated with the prediction of material behavior. The findings of this study can contribute to a more detailed understanding of the relationships: material properties-tool properties-deformation properties.
Damage, Self-Healing, and Hysteresis in Spider Silks

PubMed Central

De Tommasi, D.; Puglisi, G.; Saccomandi, G.

2010-01-01

Abstract In this article, we propose a microstructure-based continuum model to describe the material behavior of spider silks. We suppose that the material is composed of a soft fraction with entropic elasticity and a hard, damageable fraction. The hard fraction models the presence of stiffer, crystal-rich, oriented regions and accounts for the effect of softening induced by the breaking of hydrogen bonds. To describe the observed presence of crystals with different size, composition, and orientation, this hard fraction is modeled as a distribution of materials with variable properties. The soft fraction describes the remaining regions of amorphous material and is here modeled as a wormlike chain. During stretching, we consider the effect of bond-breaking as a transition from the hard- to the soft-material phase. As we demonstrate, a crucial effect of bond-breaking that accompanies the softening of the material is an increase in contour length associated with chains unraveling. The model describes also the self-healing properties of the material by assuming partial bond reconnection upon unloading. Despite its simplicity, the proposed mechanical system reproduces the main experimental effects observed in cyclic loading of spider silks. Moreover, our approach is amenable to two- or three-dimensional extensions and may prove to be a useful tool in the field of microstructure optimization for bioinspired materials. PMID:20441758
Multi Length Scale Finite Element Design Framework for Advanced Woven Fabrics

NASA Astrophysics Data System (ADS)

Erol, Galip Ozan

Woven fabrics are integral parts of many engineering applications spanning from personal protective garments to surgical scaffolds. They provide a wide range of opportunities in designing advanced structures because of their high tenacity, flexibility, high strength-to-weight ratios and versatility. These advantages result from their inherent multi scale nature where the filaments are bundled together to create yarns while the yarns are arranged into different weave architectures. Their highly versatile nature opens up potential for a wide range of mechanical properties which can be adjusted based on the application. While woven fabrics are viable options for design of various engineering systems, being able to understand the underlying mechanisms of the deformation and associated highly nonlinear mechanical response is important and necessary. However, the multiscale nature and relationships between these scales make the design process involving woven fabrics a challenging task. The objective of this work is to develop a multiscale numerical design framework using experimentally validated mesoscopic and macroscopic length scale approaches by identifying important deformation mechanisms and recognizing the nonlinear mechanical response of woven fabrics. This framework is exercised by developing mesoscopic length scale constitutive models to investigate plain weave fabric response under a wide range of loading conditions. A hyperelastic transversely isotropic yarn material model with transverse material nonlinearity is developed for woven yarns (commonly used in personal protection garments). The material properties/parameters are determined through an inverse method where unit cell finite element simulations are coupled with experiments. The developed yarn material model is validated by simulating full scale uniaxial tensile, bias extension and indentation experiments, and comparing to experimentally observed mechanical response and deformation mechanisms. Moreover, mesoscopic unit cell finite elements are coupled with a design-of-experiments method to systematically identify the important yarn material properties for the macroscale response of various weave architectures. To demonstrate the macroscopic length scale approach, two new material models for woven fabrics were developed. The Planar Material Model (PMM) utilizes two important deformation mechanisms in woven fabrics: (1) yarn elongation, and (2) relative yarn rotation due to shear loads. The yarns' uniaxial tensile response is modeled with a nonlinear spring using constitutive relations while a nonlinear rotational spring is implemented to define fabric's shear stiffness. The second material model, Sawtooth Material Model (SMM) adopts the sawtooth geometry while recognizing the biaxial nature of woven fabrics by implementing the interactions between the yarns. Material properties/parameters required by both PMM and SMM can be directly determined from standard experiments. Both macroscopic material models are implemented within an explicit finite element code and validated by comparing to the experiments. Then, the developed macroscopic material models are compared under various loading conditions to determine their accuracy. Finally, the numerical models developed in the mesoscopic and macroscopic length scales are linked thus demonstrating the new systematic design framework involving linked mesoscopic and macroscopic length scale modeling approaches. The approach is demonstrated with both Planar and Sawtooth Material Models and the simulation results are verified by comparing the results obtained from meso and macro models.
Static analysis of a sonar dome rubber window

NASA Technical Reports Server (NTRS)

Lai, J. L.

1978-01-01

The application of NASTRAN (level 16.0.1) to the static analysis of a sonar dome rubber window (SDRW) was demonstrated. The assessment of the conventional model (neglecting the enclosed fluid) for the stress analysis of the SDRW was made by comparing its results to those based on a sophisticated model (including the enclosed fluid). The fluid was modeled with isoparametric linear hexahedron elements with approximate material properties whose shear modulus was much smaller than its bulk modulus. The effect of the chosen material property for the fluid is discussed.
Computational Materials Research

NASA Technical Reports Server (NTRS)

Hinkley, Jeffrey A. (Editor); Gates, Thomas S. (Editor)

1996-01-01

Computational Materials aims to model and predict thermodynamic, mechanical, and transport properties of polymer matrix composites. This workshop, the second coordinated by NASA Langley, reports progress in measurements and modeling at a number of length scales: atomic, molecular, nano, and continuum. Assembled here are presentations on quantum calculations for force field development, molecular mechanics of interfaces, molecular weight effects on mechanical properties, molecular dynamics applied to poling of polymers for electrets, Monte Carlo simulation of aromatic thermoplastics, thermal pressure coefficients of liquids, ultrasonic elastic constants, group additivity predictions, bulk constitutive models, and viscoplasticity characterization.
Computational Modeling of Sinkage of Objects into Porous Bed under Cyclic Loading

NASA Astrophysics Data System (ADS)

Sheikh, B.; Qiu, T.; Liu, X.

2017-12-01

This work is a companion of another abstract submitted to this session on the computational modeling for the prediction of underwater munitions. In the other abstract, the focus is the hydrodynamics and sediment transport. In this work, the focus is on the geotechnical aspect and granular material behavior when the munitions interact with the porous bed. The final goal of the project is to create and utilize a comprehensive modeling framework, which integrates the flow and granular material models, to simulate and investigate the motion of the munitions. In this work, we present the computational modeling of one important process: the sinkage of rigid-body objects into porous bed under cyclic loading. To model the large deformation of granular bed materials around sinking objects under cyclic loading, a rate-independent elasto-plastic constitutive model is implemented into a Smoothed Particle Hydrodynamics (SPH) model. The effect of loading conditions (e.g., amplitude and frequency of shaking), object properties (e.g., geometry and density), and granular bed material properties (e.g., density) on object singkage is discussed.
Evaluation of ceramics for stator application: Gas turbine engine report

NASA Technical Reports Server (NTRS)

Trela, W.; Havstad, P. H.

1978-01-01

Current ceramic materials, component fabrication processes, and reliability prediction capability for ceramic stators in an automotive gas turbine engine environment are assessed. Simulated engine duty cycle testing of stators conducted at temperatures up to 1093 C is discussed. Materials evaluated are SiC and Si3N4 fabricated from two near-net-shape processes: slip casting and injection molding. Stators for durability cycle evaluation and test specimens for material property characterization, and reliability prediction model prepared to predict stator performance in the simulated engine environment are considered. The status and description of the work performed for the reliability prediction modeling, stator fabrication, material property characterization, and ceramic stator evaluation efforts are reported.
Development of the system of reactor thermophysical data on the basis of ontological modelling

NASA Astrophysics Data System (ADS)

Chusov, I. A.; Kirillov, P. L.; Bogoslovskaya, G. P.; Yunusov, L. K.; Obysov, N. A.; Novikov, G. E.; Pronyaev, V. G.; Erkimbaev, A. O.; Zitserman, V. Yu; Kobzev, G. A.; Trachtengerts, M. S.; Fokin, L. R.

2017-11-01

Compilation and processing of the thermophysical data was always an important task for the nuclear industry. The difficulties of the present stage of this activity are explained by sharp increase of the data volume and the number of new materials, as well as by the increased requirements to the reliability of the data used in the nuclear industry. General trend in the fields with predominantly orientation at the work with data (material science, chemistry and others) consists in the transition to a common infrastructure with integration of separate databases, Web-portals and other resources. This infrastructure provides the interoperability, the procedures of the data exchange, storage and dissemination. Key elements of this infrastructure is a domain-specific ontology, which provides a single information model and dictionary for semantic definitions. Formalizing the subject area, the ontology adapts the definitions for the different database schemes and provides the integration of heterogeneous data. The important property to be inherent for ontologies is a possibility of permanent expanding of new definitions, e.g. list of materials and properties. The expansion of the thermophysical data ontology at the reactor materials includes the creation of taxonomic dictionaries for thermophysical properties; the models for data presentation and their uncertainties; the inclusion along with the parameters of the state, some additional factors, such as the material porosity, the burnup rate, the irradiation rate and others; axiomatics of the properties applicable to the given class of materials.
Modeling and additive manufacturing of bio-inspired composites with tunable fracture mechanical properties.

PubMed

Dimas, Leon S; Buehler, Markus J

2014-07-07

Flaws, imperfections and cracks are ubiquitous in material systems and are commonly the catalysts of catastrophic material failure. As stresses and strains tend to concentrate around cracks and imperfections, structures tend to fail far before large regions of material have ever been subjected to significant loading. Therefore, a major challenge in material design is to engineer systems that perform on par with pristine structures despite the presence of imperfections. In this work we integrate knowledge of biological systems with computational modeling and state of the art additive manufacturing to synthesize advanced composites with tunable fracture mechanical properties. Supported by extensive mesoscale computer simulations, we demonstrate the design and manufacturing of composites that exhibit deformation mechanisms characteristic of pristine systems, featuring flaw-tolerant properties. We analyze the results by directly comparing strain fields for the synthesized composites, obtained through digital image correlation (DIC), and the computationally tested composites. Moreover, we plot Ashby diagrams for the range of simulated and experimental composites. Our findings show good agreement between simulation and experiment, confirming that the proposed mechanisms have a significant potential for vastly improving the fracture response of composite materials. We elucidate the role of stiffness ratio variations of composite constituents as an important feature in determining the composite properties. Moreover, our work validates the predictive ability of our models, presenting them as useful tools for guiding further material design. This work enables the tailored design and manufacturing of composites assembled from inferior building blocks, that obtain optimal combinations of stiffness and toughness.

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
Molecular modeling of polymers 16. Gaseous diffusion in polymers: a quantitative structure-property relationship (QSPR) analysis.

PubMed

Patel, H C; Tokarski, J S; Hopfinger, A J

1997-10-01

The purpose of this study was to identify the key physicochemical molecular properties of polymeric materials responsible for gaseous diffusion in the polymers. Quantitative structure-property relationships, QSPRs were constructed using a genetic algorithm on a training set of 16 polymers for which CO2, N2, O2 diffusion constants were measured. Nine physicochemical properties of each of the polymers were used in the trial basis set for QSPR model construction. The linear cross-correlation matrices were constructed and investigated for colinearity among the members of the training sets. Common water diffusion measures for a limited training set of six polymers was used to construct a "semi-QSPR" model. The bulk modulus of the polymer was overwhelmingly found to be the dominant physicochemical polymer property that governs CO2, N2 and O2 diffusion. Some secondary physicochemical properties controlling diffusion, including conformational entropy, were also identified as correlation descriptors. Very significant QSPR diffusion models were constructed for all three gases. Cohesive energy was identified as the main correlation physicochemical property with aqueous diffusion measures. The dominant role of polymer bulk modulus on gaseous diffusion makes it difficult to develop criteria for selective transport of gases through polymers. Moreover, high bulk moduli are predicted to be necessary for effective gas barrier materials. This property requirement may limit the processing and packaging features of the material. Aqueous diffusion in polymers may occur by a different mechanism than gaseous diffusion since bulk modulus does not correlate with aqueous diffusion, but rather cohesive energy of the polymer.
MRI-based patient-specific human carotid atherosclerotic vessel material property variations in patients, vessel location and long-term follow up

PubMed Central

Wang, Qingyu; Canton, Gador; Guo, Jian; Guo, Xiaoya; Hatsukami, Thomas S.; Billiar, Kristen L.; Yuan, Chun; Wu, Zheyang

2017-01-01

Background Image-based computational models are widely used to determine atherosclerotic plaque stress/strain conditions and investigate their association with plaque progression and rupture. However, patient-specific vessel material properties are in general lacking in those models, limiting the accuracy of their stress/strain measurements. A noninvasive approach of combining in vivo 3D multi-contrast and Cine magnetic resonance imaging (MRI) and computational modeling was introduced to quantify patient-specific carotid plaque material properties for potential plaque model improvements. Vessel material property variation in patients, along vessel segment, and between baseline and follow up were investigated. Methods In vivo 3D multi-contrast and Cine MRI carotid plaque data were acquired from 8 patients with follow-up (18 months) with written informed consent obtained. 3D thin-layer models and an established iterative procedure were used to determine parameter values of the Mooney-Rivlin models for the 81slices from 16 plaque samples. Effective Young’s Modulus (YM) values were calculated for comparison and analysis. Results Average Effective Young’s Modulus (YM) and circumferential shrinkage rate (C-Shrink) value of the 81 slices was 411kPa and 5.62%, respectively. Slice YM value varied from 70 kPa (softest) to 1284 kPa (stiffest), a 1734% difference. Average slice YM values by vessel varied from 109 kPa (softest) to 922 kPa (stiffest), a 746% difference. Location-wise, the maximum slice YM variation rate within a vessel was 311% (149 kPa vs. 613 kPa). The average slice YM variation rate for the 16 vessels was 134%. The average variation of YM values for all patients from baseline to follow up was 61.0%. The range of the variation of YM values was [-28.4%, 215%]. For plaque progression study, YM at follow-up showed negative correlation with plaque progression measured by wall thickness increase (WTI) (r = -0.7764, p = 0.0235). Wall thickness at baseline correlated with WTI negatively, with r = -0.5253 (p = 0.1813). Plaque burden at baseline correlated with YM change between baseline and follow-up, with r = 0.5939 (p = 0.1205). Conclusion In vivo carotid vessel material properties have large variations from patient to patient, along the diseased segment within a patient, and with time. The use of patient-specific, location specific and time-specific material properties in plaque models could potentially improve the accuracy of model stress/strain calculations. PMID:28715441
Calculation and experimental validation of spectral properties of microsize grains surrounded by nanoparticles.

PubMed

Yu, Haitong; Liu, Dong; Duan, Yuanyuan; Wang, Xiaodong

2014-04-07

Opacified aerogels are particulate thermal insulating materials in which micrometric opacifier mineral grains are surrounded by silica aerogel nanoparticles. A geometric model was developed to characterize the spectral properties of such microsize grains surrounded by much smaller particles. The model represents the material's microstructure with the spherical opacifier's spectral properties calculated using the multi-sphere T-matrix (MSTM) algorithm. The results are validated by comparing the measured reflectance of an opacified aerogel slab against the value predicted using the discrete ordinate method (DOM) based on calculated optical properties. The results suggest that the large particles embedded in the nanoparticle matrices show different scattering and absorption properties from the single scattering condition and that the MSTM and DOM algorithms are both useful for calculating the spectral and radiative properties of this particulate system.
Predicting Plywood Properties with Wood-based Composite Models

Treesearch

Christopher Adam Senalik; Robert J. Ross

2015-01-01

Previous research revealed that stress wave nondestructive testing techniques could be used to evaluate the tensile and flexural properties of wood-based composite materials. Regression models were developed that related stress wave transmission characteristics (velocity and attenuation) to modulus of elasticity and strength. The developed regression models accounted...
Material Property Characterization of AS4/VRM-34 Textile Laminates

NASA Technical Reports Server (NTRS)

Grenoble, Ray W.; Johnston, William M

2013-01-01

Several material properties (modulus, strengths, and fracture toughness) of a textile composite have been evaluated to provide input data to analytical models of Pultruded Rod Stiffened Efficient Unitized Structure (PRSEUS). The material system is based on warp-knitted preforms of AS4 carbon fibers and VRM-34 epoxy resin, which have been processed via resin infusion and oven curing. Tensile, compressive, shear, and fracture toughness properties have been measured at ambient and elevated temperatures. All specimens were tested in as-fabricated (dry) condition. Specimens were tested with and without through-thickness stitching.
Equilibrium paths analysis of materials with rheological properties by using the chaos theory

NASA Astrophysics Data System (ADS)

Bednarek, Paweł; Rządkowski, Jan

2018-01-01

The numerical equilibrium path analysis of the material with random rheological properties by using standard procedures and specialist computer programs was not successful. The proper solution for the analysed heuristic model of the material was obtained on the base of chaos theory elements and neural networks. The paper deals with mathematical reasons of used computer programs and also are elaborated the properties of the attractor used in analysis. There are presented results of conducted numerical analysis both in a numerical and in graphical form for the used procedures.
Stepping into the omics era: Opportunities and challenges for biomaterials science and engineering.

PubMed

Groen, Nathalie; Guvendiren, Murat; Rabitz, Herschel; Welsh, William J; Kohn, Joachim; de Boer, Jan

2016-04-01

The research paradigm in biomaterials science and engineering is evolving from using low-throughput and iterative experimental designs towards high-throughput experimental designs for materials optimization and the evaluation of materials properties. Computational science plays an important role in this transition. With the emergence of the omics approach in the biomaterials field, referred to as materiomics, high-throughput approaches hold the promise of tackling the complexity of materials and understanding correlations between material properties and their effects on complex biological systems. The intrinsic complexity of biological systems is an important factor that is often oversimplified when characterizing biological responses to materials and establishing property-activity relationships. Indeed, in vitro tests designed to predict in vivo performance of a given biomaterial are largely lacking as we are not able to capture the biological complexity of whole tissues in an in vitro model. In this opinion paper, we explain how we reached our opinion that converging genomics and materiomics into a new field would enable a significant acceleration of the development of new and improved medical devices. The use of computational modeling to correlate high-throughput gene expression profiling with high throughput combinatorial material design strategies would add power to the analysis of biological effects induced by material properties. We believe that this extra layer of complexity on top of high-throughput material experimentation is necessary to tackle the biological complexity and further advance the biomaterials field. In this opinion paper, we postulate that converging genomics and materiomics into a new field would enable a significant acceleration of the development of new and improved medical devices. The use of computational modeling to correlate high-throughput gene expression profiling with high throughput combinatorial material design strategies would add power to the analysis of biological effects induced by material properties. We believe that this extra layer of complexity on top of high-throughput material experimentation is necessary to tackle the biological complexity and further advance the biomaterials field. Copyright © 2016. Published by Elsevier Ltd.
Learning to apply models of materials while explaining their properties

NASA Astrophysics Data System (ADS)

Karpin, Tiia; Juuti, Kalle; Lavonen, Jari

2014-09-01

Background:Applying structural models is important to chemistry education at the upper secondary level, but it is considered one of the most difficult topics to learn. Purpose:This study analyses to what extent in designed lessons students learned to apply structural models in explaining the properties and behaviours of various materials. Sample:An experimental group is 27 Finnish upper secondary school students and control group included 18 students from the same school. Design and methods:In quasi-experimental setting, students were guided through predict, observe, explain activities in four practical work situations. It was intended that the structural models would encourage students to learn how to identify and apply appropriate models when predicting and explaining situations. The lessons, organised over a one-week period, began with a teacher's demonstration and continued with student experiments in which they described the properties and behaviours of six household products representing three different materials. Results:Most students in the experimental group learned to apply the models correctly, as demonstrated by post-test scores that were significantly higher than pre-test scores. The control group showed no significant difference between pre- and post-test scores. Conclusions:The findings indicate that the intervention where students engage in predict, observe, explain activities while several materials and models are confronted at the same time, had a positive effect on learning outcomes.
Prediction of porosity of food materials during drying: Current challenges and directions.

PubMed

Joardder, Mohammad U H; Kumar, C; Karim, M A

2017-07-18

Pore formation in food samples is a common physical phenomenon observed during dehydration processes. The pore evolution during drying significantly affects the physical properties and quality of dried foods. Therefore, it should be taken into consideration when predicting transport processes in the drying sample. Characteristics of pore formation depend on the drying process parameters, product properties and processing time. Understanding the physics of pore formation and evolution during drying will assist in accurately predicting the drying kinetics and quality of food materials. Researchers have been trying to develop mathematical models to describe the pore formation and evolution during drying. In this study, existing porosity models are critically analysed and limitations are identified. Better insight into the factors affecting porosity is provided, and suggestions are proposed to overcome the limitations. These include considerations of process parameters such as glass transition temperature, sample temperature, and variable material properties in the porosity models. Several researchers have proposed models for porosity prediction of food materials during drying. However, these models are either very simplistic or empirical in nature and failed to consider relevant significant factors that influence porosity. In-depth understanding of characteristics of the pore is required for developing a generic model of porosity. A micro-level analysis of pore formation is presented for better understanding, which will help in developing an accurate and generic porosity model.
Establishment of computerized numerical databases on thermophysical and other properties of molten as well as solid materials and data evaluation and validation for generating recommended reliable reference data

NASA Technical Reports Server (NTRS)

Ho, C. Y.

1993-01-01

The Center for Information and Numerical Data Analysis and Synthesis, (CINDAS), measures and maintains databases on thermophysical, thermoradiative, mechanical, optical, electronic, ablation, and physical properties of materials. Emphasis is on aerospace structural materials especially composites and on infrared detector/sensor materials. Within CINDAS, the Department of Defense sponsors at Purdue several centers: the High Temperature Material Information Analysis Center (HTMIAC), the Ceramics Information Analysis Center (CIAC) and the Metals Information Analysis Center (MIAC). The responsibilities of CINDAS are extremely broad encompassing basic and applied research, measurement of the properties of thin wires and thin foils as well as bulk materials, acquisition and search of world-wide literature, critical evaluation of data, generation of estimated values to fill data voids, investigation of constitutive, structural, processing, environmental, and rapid heating and loading effects, and dissemination of data. Liquids, gases, molten materials and solids are all considered. The responsibility of maintaining widely used databases includes data evaluation, analysis, correlation, and synthesis. Material property data recorded on the literature are often conflicting, diverging, and subject to large uncertainties. It is admittedly difficult to accurately measure materials properties. Systematic and random errors both enter. Some errors result from lack of characterization of the material itself (impurity effects). In some cases assumed boundary conditions corresponding to a theoretical model are not obtained in the experiments. Stray heat flows and losses must be accounted for. Some experimental methods are inappropriate and in other cases appropriate methods are carried out with poor technique. Conflicts in data may be resolved by curve fitting of the data to theoretical or empirical models or correlation in terms of various affecting parameters. Reasons (e.g. phase transitions) must be found for unusual dependence or any anomaly. Such critical evaluation involves knowledge of theory, experience in measurement, familiarity with metallurgy (microstructural behavior) and not inconsiderable judgment. An examination of typical data compiled and analyzed by CINDAS shows that the thermal conductivity of a material reported in the literature may vary by a factor of two of more; the range of reported values increases as temperature increases reflecting the difficulty of high temperature measurements. Often only estimates of melt behavior are available, despite the importance of melt properties in modeling, welding, or other solidification processes. There may be only a few measurements available for properties such as kinematic viscosity, even for widely used materials such as stainless steel. In the face of such a paucity of existing data and in a national environment where too few new data are being generated it is nonetheless the responsibility of CINDAS to select and disseminate recommended values of a wide variety of thermophysical properties.
Influence of string-like cooperative atomic motion on surface diffusion in the (110) interfacial region of crystalline Ni

PubMed Central

Zhang, Hao; Yang, Ying; Douglas, Jack F.

2015-01-01

Although we often think about crystalline materials in terms of highly organized arrays of atoms, molecules, or even colloidal particles, many of the important properties of this diverse class of materials relating to their catalytic behavior, thermodynamic stability, and mechanical properties derive from the dynamics and thermodynamics of their interfacial regions, which we find they have a dynamics more like glass-forming (GF) liquids than crystals at elevated temperatures. This is a general problem arising in any attempt to model the properties of naturally occurring crystalline materials since many aspects of the dynamics of glass-forming liquids remain mysterious. We examine the nature of this phenomenon in the “simple” case of the (110) interface of crystalline Ni, based on a standard embedded-atom model potential, and we then quantify the collective dynamics in this interfacial region using newly developed methods for characterizing the cooperative dynamics of glass-forming liquids. As in our former studies of the interfacial dynamics of grain-boundaries and the interfacial dynamics of crystalline Ni nanoparticles (NPs), we find that the interface of bulk crystalline Ni exhibits all the characteristics of glass-forming materials, even at temperatures well below the equilibrium crystal melting temperature, Tm. This perspective offers a new approach to modeling and engineering the properties of crystalline materials. PMID:25725748
Material Models and Properties in the Finite Element Analysis of Knee Ligaments: A Literature Review

PubMed Central

Galbusera, Fabio; Freutel, Maren; Dürselen, Lutz; D’Aiuto, Marta; Croce, Davide; Villa, Tomaso; Sansone, Valerio; Innocenti, Bernardo

2014-01-01

Knee ligaments are elastic bands of soft tissue with a complex microstructure and biomechanics, which are critical to determine the kinematics as well as the stress bearing behavior of the knee joint. Their correct implementation in terms of material models and properties is therefore necessary in the development of finite element models of the knee, which has been performed for decades for the investigation of both its basic biomechanics and the development of replacement implants and repair strategies for degenerative and traumatic pathologies. Indeed, a wide range of element types and material models has been used to represent knee ligaments, ranging from elastic unidimensional elements to complex hyperelastic three-dimensional structures with anatomically realistic shapes. This paper systematically reviews literature studies, which described finite element models of the knee, and summarizes the approaches, which have been used to model the ligaments highlighting their strengths and weaknesses. PMID:25478560
Multi-scale Modeling, Design Strategies and Physical Properties of 2D Composite Sheets

DTIC Science & Technology

2014-09-22

talks and training of two postdoctoral candidates, one graduate student The theoretical work on thennal, elecu·onic and optical prope1iies of 2D ...materials led to several new experimentalists to validate our predictions. 1S. SUBJECT TERMS 2D materials, multi scale modeling 16. SECURITY...strategies and physical properties of 2D composite sheets: Final Report Report Title This report describes the progress made as part of the subject contract
Designing with non-linear viscoelastic fluids

NASA Astrophysics Data System (ADS)

Schuh, Jonathon; Lee, Yong Hoon; Allison, James; Ewoldt, Randy

2017-11-01

Material design is typically limited to hard materials or simple fluids; however, design with more complex materials can provide ways to enhance performance. Using the Criminale-Ericksen-Filbey (CEF) constitutive model in the thin film lubrication limit, we derive a modified Reynolds Equation (based on asymptotic analysis) that includes shear thinning, first normal stress, and terminal regime viscoelastic effects. This allows for designing non-linear viscoelastic fluids in thin-film creeping flow scenarios, i.e. optimizing the shape of rheological material properties to achieve different design objectives. We solve the modified Reynolds equation using the pseudo-spectral method, and describe a case study in full-film lubricated sliding where optimal fluid properties are identified. These material-agnostic property targets can then guide formulation of complex fluids which may use polymeric, colloidal, or other creative approaches to achieve the desired non-Newtonian properties.
Submillimeter and Far-Infrared Dielectric Properties of Thin Films

NASA Technical Reports Server (NTRS)

Cataldo, Giuseppe; Wollack, Edward J.

2016-01-01

The complex dielectric function enables the study of a material's refractive and absorptive properties and provides information on a material's potential for practical application. Commonly employed line shape profile functions from the literature are briefly surveyed and their suitability for representation of dielectric material properties are discussed. An analysis approach to derive a material's complex dielectric function from observed transmittance spectra in the far-infrared and submillimeter regimes is presented. The underlying model employed satisfies the requirements set by the Kramers-Kronig relations. The dielectric function parameters derived from this approach typically reproduce the observed transmittance spectra with an accuracy of less than 4%.
Microwave measurement and modeling of the dielectric properties of vegetation

NASA Astrophysics Data System (ADS)

Shrestha, Bijay Lal

Some of the important applications of microwaves in the industrial, scientific and medical sectors include processing and treatment of various materials, and determining their physical properties. The dielectric properties of the materials of interest are paramount irrespective of the applications, hence, a wide range of materials covering food products, building materials, ores and fuels, and biological materials have been investigated for their dielectric properties. However, very few studies have been conducted towards the measurement of dielectric properties of green vegetations, including commercially important plant crops such as alfalfa. Because of its high nutritional value, there is a huge demand for this plant and its processed products in national and international markets, and an investigation into the possibility of applying microwaves to improve both the net yield and quality of the crop can be beneficial. Therefore, a dielectric measurement system based upon the probe reflection technique has been set up to measure dielectric properties of green plants over a frequency range from 300 MHz to 18 GHz, moisture contents from 12%, wet basis to 79%, wet basis, and temperatures from -15°C to 30°C. Dielectric properties of chopped alfalfa were measured with this system over frequency range of 300 MHz to 18 GHz, moisture content from 11.5%, wet basis, to 73%, wet basis, and density over the range from 139 kg m-3 to 716 kg m-3 at 23°C. The system accuracy was found to be +/-6% and +/-10% in measuring the dielectric constant and loss factor respectively. Empirical, semi empirical and theoretical models that require only moisture content and operating frequency were determined to represent the dielectric properties of both leaves and stems of alfalfa at 22°C. The empirical models fitted the measured dielectric data extremely well. The root mean square error (RMSE) and the coefficient of determination (r2) for dielectric constant and loss factor of leaves were 0.89 and 0.99, and 0.52 and 0.99 respectively. The RMSE and r2 values for dielectric constant and loss factor of stems were 0.89 and 0.99, and 0.77 and 0.99 respectively. Among semi empirical or theoretical models, Power law model showed better performance (RMSE = 1.78, r2 = 0.96) in modeling dielectric constant of leaves, and Debye-ColeCole model was more appropriate (RMSE = 1.23, r2 = 0.95) for the loss factor. For stems, the Debye-ColeCole models (developed on an assumption that they do not shrink as they dry) were found to be the best models to calculate the dielectric constant with RMSE 0.53 and r2 = 0.99, and dielectric loss factor with RMSE = 065 and r2 = 0.95. (Abstract shortened by UMI.)
Dynamic Compressibility of High-Porosity Dampers of Thermal and Shock Loadings:. Modeling and Experiment

NASA Astrophysics Data System (ADS)

Bragov, Anatoly; Konstantinov, Alexander; Lomunov, Andrey; Sadyrin, Anatoly; Sergeichev, Ivan; Kruszka, Leopold

High-porosity materials, such as chamotte and mullite, possess a heat of fusion. Owing to their properties, these materials can be used with success as damping materials in containers for airplane, automobile, etc. transportation of radioactive or highly toxic materials. Experimental studies of the dynamic properties have been executed with using some original modifications of the Kolsky method. These modified experiments have allowed studying the dynamic compressibility of high-porosity chamotte at deformations up to 80% and amplitudes up to 50 MPa. The equations of the mathematical model describing shock compacting of chamotte as a highly porous, fragile, collapsing material are presented. Deformation of high-porous materials at non-stationary loadings is usually accompanied by fragile destruction of interpore partitions as observed in other porous ceramic materials. Comparison of numerical and experimental results has shown their good conformity.
New developments in tribomechanical modeling of automotive sheet steel forming

NASA Astrophysics Data System (ADS)

Khandeparkar, Tushar; Chezan, Toni; van Beeck, Jeroen

2018-05-01

Forming of automotive sheet metal body panels is a complex process influenced by both the material properties and contact conditions in the forming tooling. Material properties are described by the material constitutive behavior and the material flow into the forming die can be described by the tribological system. This paper investigates the prediction accuracy of the forming process using the Tata Steel state of the art description of the material constitutive behavior in combination with different friction models. A cross-die experiment is used to investigate the accuracy of local deformation modes typically seen in automotive sheet metal forming operations. Results of advanced friction models as well as the classical Coulomb friction description are compared to the experimentally measured strain distribution and material draw-in. Two hot-dip galvanized coated steel forming grades were used for the investigations. The results show that the accuracy of the simulation is not guaranteed by the advanced friction models for the entire investigated blank holder force range, both globally and locally. A measurable difference between the calculated and measured local strains is seen for both studied models even in the case where the global indicator, i.e. the draw-in, is well predicted.
The effects of modeling simplifications on craniofacial finite element models: the alveoli (tooth sockets) and periodontal ligaments.

PubMed

Wood, Sarah A; Strait, David S; Dumont, Elizabeth R; Ross, Callum F; Grosse, Ian R

2011-07-07

Several finite element models of a primate cranium were used to investigate the biomechanical effects of the tooth sockets and the material behavior of the periodontal ligament (PDL) on stress and strain patterns associated with feeding. For examining the effect of tooth sockets, the unloaded sockets were modeled as devoid of teeth and PDL, filled with teeth and PDLs, or simply filled with cortical bone. The third premolar on the left side of the cranium was loaded and the PDL was treated as an isotropic, linear elastic material using published values for Young's modulus and Poisson's ratio. The remaining models, along with one of the socket models, were used to determine the effect of the PDL's material behavior on stress and strain distributions under static premolar biting and dynamic tooth loading conditions. Two models (one static and the other dynamic) treated the PDL as cortical bone. The other two models treated it as a ligament with isotropic, linear elastic material properties. Two models treated the PDL as a ligament with hyperelastic properties, and the other two as a ligament with viscoelastic properties. Both behaviors were defined using published stress-strain data obtained from in vitro experiments on porcine ligament specimens. Von Mises stress and strain contour plots indicate that the effects of the sockets and PDL material behavior are local. Results from this study suggest that modeling the sockets and the PDL in finite element analyses of skulls is project dependent and can be ignored if values of stress and strain within the alveolar region are not required. Copyright © 2011 Elsevier Ltd. All rights reserved.

"Active" drops as phantom models for living cells: a mesoscopic particle-based approach.

PubMed

Dallavalle, Marco; Lugli, Francesca; Rapino, Stefania; Zerbetto, Francesco

2016-04-21

Drops and biological cells share some morphological features and visco-elastic properties. The modelling of drops by mesoscopic non-atomistic models has been carried out to a high degree of success in recent years. We extend such treatment and discuss a simple, drop-like model to describe the interactions of the outer layer of cells with the surfaces of materials. Cells are treated as active mechanical objects that are able to generate adhesion forces. They appear with their true size and are made of "parcels of fluids" or beads. The beads are described by (very) few quantities/parameters related to fundamental chemical forces such as hydrophilicity and lipophilicity that represent an average of the properties of a patch of material or an area of the cell(s) surface. The investigation of adhesion dynamics, motion of individual cells, and the collective behavior of clusters of cells on materials is possible. In the simulations, the drops become active soft matter objects and different from regular droplets they do not fuse when in contact, their trajectories are not Brownian, and they can be forced "to secrete" molecules, to name some of the properties targeted by the modeling. The behavior that emerges from the simulations allows ascribing some cell properties to their mechanics, which are related to their biological features.
Beyond the Alphabet Soup: Molecular Properties of Aerosol Components Influence Optics. (Invited)

NASA Astrophysics Data System (ADS)

Thompson, J. E.

2013-12-01

Components within atmospheric aerosols exhibit almost every imaginable model of chemical bonding and physical diversity. The materials run the spectrum from crystalline to amorphous, covalent to ionic, and have varying viscosities, phase, and hygroscopicity. This seminar will focus on the molecular properties of materials that influence the optical behavior of aerosols. Special focus will be placed on the polarizability of materials, hygroscopic growth, and particle phase.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, Stacy; English, Shawn; Briggs, Timothy

Fiber-reinforced composite materials offer light-weight solutions to many structural challenges. In the development of high-performance composite structures, a thorough understanding is required of the composite materials themselves as well as methods for the analysis and failure prediction of the relevant composite structures. However, the mechanical properties required for the complete constitutive definition of a composite material can be difficult to determine through experimentation. Therefore, efficient methods are necessary that can be used to determine which properties are relevant to the analysis of a specific structure and to establish a structure's response to a material parameter that can only be definedmore » through estimation. The objectives of this paper deal with demonstrating the potential value of sensitivity and uncertainty quantification techniques during the failure analysis of loaded composite structures; and the proposed methods are applied to the simulation of the four-point flexural characterization of a carbon fiber composite material. Utilizing a recently implemented, phenomenological orthotropic material model that is capable of predicting progressive composite damage and failure, a sensitivity analysis is completed to establish which material parameters are truly relevant to a simulation's outcome. Then, a parameter study is completed to determine the effect of the relevant material properties' expected variations on the simulated four-point flexural behavior as well as to determine the value of an unknown material property. This process demonstrates the ability to formulate accurate predictions in the absence of a rigorous material characterization effort. Finally, the presented results indicate that a sensitivity analysis and parameter study can be used to streamline the material definition process as the described flexural characterization was used for model validation.« less
Nanostructure characteristics of ferroics and bio-ferroics in relation to the design consideration of nano-sensing elements

NASA Astrophysics Data System (ADS)

Pal, Madhuparna

The shift of the epicenter in the field of science and technology to the nano-world has become evident over the past couple of decades with the emergence of areas likes nanoscience, nanotechnology, nano-biotechnology, etc. Though the size of the devices has decreased, the capability of devices has increased rendering it as 'multifunctional/smart' devices. However the design of smart devices using a single phase material has reached to its limit, hence to make further progress "smart materials" are required. Sensors/actuators are mostly fabricated with popular ferroic materials (ferroelectric/ ferromagnetic/ ferroelastic) or multiferroics (having more than one ferroic property). Multifunctionality can be the outcome of heterogeneous systems with cross-coupled properties, intrinsic as well as extrinsic, and hence modeling of smart materials with high figure of merit is also needed. Most ideas in smart sensing and actuation have been borrowed from the biological systems thus a step further is indeed to combine the engineering with the fundamental biological activities. Not only can we use multiferroic materials in artificial transplants, but we should also investigate ferroic activities in the biological samples. These fundamental issues, their possible solutions and their wide impact underlie the motivation of the current work in this thesis report. To achieve the ultimate goal, the steps outlined were followed: i. understanding the properties of sensing elements of inorganic and biomaterials at nanoscale level, ii. investigation of the multiferroicity, iii. modeling engineered material with better sensing capabilities iv. Finally exploiting the new concepts for device and biomedical applications. The findings of this thesis reports multiferroic behavior in a selected class of single crystals, thin films and bulk materials. Human nails and hair samples have been investigated for ferroelectricity and a comprehensive study concludes the presence of bio-ferroelectricity. Bio-ceramic for potential bone replacement has been characterized for its electrical properties and evidence has been given for its suitability. Initiation of modeling of material with high figure of merit for pyroelectric applications has been done which provides a platform to tailor its boundary conditions, interplay of interfaces to obtain meta-property. A broader impact of this thesis was to come forth with ideas to medical diagnostics and health monitoring combining and enhancing the understanding of multiferroics at macro to nano level, modeling of efficient heterogeneous material system, science of bio-materials and applications of bio-ceramics.
Torque Limit for Bolted Joint for Composites. Part A; TTTC Properties of Laminated Composites

NASA Technical Reports Server (NTRS)

Zhao, Yi

2003-01-01

The existing design code for torque limit of bolted joints for composites at Marshall Space Flight Center is MSFC-STD-486B, which was originally developed in 1960s for metallic materials. The theoretical basis for this code was a simplified mechanics analysis, which takes into account only the bolt, nut and washers, but not the structural members to be connected. The assumption was that metallic materials would not fail due to the bearing stress at the contact area between washer and the mechanical member. This is true for metallic materials; but for composite materials the results could be completely different. Unlike most metallic materials, laminated composite materials have superior mechanical properties (such as modulus and strength) in the in-plane direction, but not in the out-of-plane, or through-the-thickness (TTT) direction. During the torquing, TTT properties (particularly compressive modulus and compressive strength) play a dominant role in composite failure. Because of this concern, structural design engineers at Marshall are currently using a compromised empirical approach: using 50% of the torque value for composite members. Companies like Boeing is using a similar approach. An initial study was conducted last summer on this topic to develop theoretical model(s) that takes into consideration of composite members. Two simplified models were developed based on stress failure criterion and strain failure criterion, respective. However, these models could not be used to predict the torque limit because of the unavailability of material data, specifically, through-the-thickness compression (TTTC) modulus and strength. Therefore, the task for this summer is to experimentally determine the TTTC properties. Due to the time limitation, only one material has been tested: IM7/8552 with [0 degrees,plus or minus 45 degrees, 90 degree ] configuration. This report focuses the test results and their significance, while the experimentation will be described in a separate report by Mr. Kris Kostreva.
Comparison of hemostatic properties between collagen and synthetic buttress materials used in staple line reinforcement in a swine splenic hemorrhage model.

PubMed

Spector, David; Perry, Zvi; Konobeck, Tracy; Mooradian, Daniel; Shikora, Scott

2011-04-01

The use of staplers in gastrointestinal surgery is widespread, especially in advanced laparoscopic procedures. Staple line reinforcement with a buttress reduces bleeding and associated complications through a combination of factors. The intrinsic hemostatic properties of buttress materials have not been examined. This study examined the intrinsic hemostatic properties of two different types of material used in buttressing in an accepted hemostasis model that does not involve stapling or its effects by compression. An acellular collagen buttress (Veritas) and a synthetic polymer buttress (Duet) were compared to two commonly used hemostatic agents, Syvek and Surgicel, with gauze as control. In a swine capsular stripping hemostasis model, a 1 × 1 cm section of spleen capsule was removed and used as a source of bleeding, with one patch of material tested per bleeding site. A total of 51 wounds were created in five pigs (each patch n = 10, control n = 11). Hemostatic efficacy was assessed by quantitating the number of applications and total time needed for bleeding to stop. The mean time needed for hemostasis for Syvek and Veritas patches was significantly less than gauze, Duet and Surgicel (4.02, 4.51 vs. 8.97, 9.22, and 10.30 min respectively; p < 0.05). The Syvek and Veritas patches required significantly fewer applications than gauze, Duet™ and Surgicel (1.7, 2.2 vs. 4.1, 4.6, and 4.9 respectively; p < 0.01). The intrinsic hemostatic properties of different buttressing materials vary widely. In this study, a collagen buttress was significantly better at promoting hemostasis than the synthetic buttress material in a nonstapling model. This could be another factor to consider when choosing a buttress for staple line reinforcement.
Constitutive models for a poly(e-caprolactone) scaffold.

PubMed

Quinn, T P; Oreskovic, T L; McCowan, C N; Washburn, N R

2004-01-01

We investigate material models for a porous, polymeric scaffold used for bone. The material was made by co-extruding poly(e-caprolactone) (PCL), a biodegradable polyester, and poly(ethylene oxide) (PEO). The water soluble PEO was removed resulting in a porous scaffold. The stress-strain curve in compression was fit with a phenomenological model in hyperbolic form. This material model will be useful for designers for quasi-static analysis as it provides a simple form that can easily be used in finite element models. The ASTM D-1621 standard recommends using a secant modulus based on 10% strain. The resulting modulus has a smaller scatter in its value compared to the coefficients of the hyperbolic model, and it is therefore easier to compare material processing differences and ensure quality of the scaffold. A third material model was constructed from images of the microstructure. Each pixel of the micrographs was represented with a brick finite element and assigned the Young's modulus of bulk PCL or a value of 0 for a pore. A compressive strain was imposed on the model and the resulting stresses were calculated. The elastic constants of the scaffold were then computed using Hooke's law for a linear-elastic isotropic material. The model was able to predict the small strain Young's modulus measured in the experiments to within one standard deviation. Thus, by knowing the microstructure of the scaffold, its bulk properties can be predicted from the material properties of the constituents.
Finite Element Modeling Used to Study Stress Distribution on the Foot

NASA Technical Reports Server (NTRS)

Morales, Nelson; Davis, Brian; Tajaddini, Azita

2004-01-01

A method to study the stress distribution inside the forefoot during walking was developed at the Cleveland Clinic Foundation by a researcher from the NASA Glenn Research Center. In this method, a semiautomated process was outlined to create a three-dimensional, patient-specific, finite element model (FEM) of the forefoot using magnetic resonance images (MRI). The images were processed in Matlab using the k-nearest neighbor (k-NN) classification algorithm and Sobel edge detection to separate the different tissue types: bone, skin, fat, and muscle. This information was used to create curves and surfaces that were exported to an FEM preprocessor known as Truegrid. In Truegrid, eight-noded or brick elements were created by using surface mapping. The FEM was processed and postprocessed in Abaqus. Material properties of the models were obtained from past experiments such as fat pad confined compression, skin axial and biaxial tests, muscle in vivo compressive tests, and reference literature (bone properties). Nonlinear (hyperelastic) material models were used for the skin (epidermis and dermis), fat, and muscles; and a linear elastic model was used for the bones. Muscle activation during walking yielded uncertainties in the muscle material model since contracted muscles are stiffer than relaxed muscles. These uncertainties were resolved by performing a sensitivity analysis of the muscle material properties. The original properties were multiplied by arbitrary factors of 2, 3, 0.5, and 0.33. The strain and stress distributions, as well as the locations of peak values, were similar in all cases. The peak contact pressure P obtained for each case varied with respect to the applied factor f as follows:
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...
Dynamic Response of Layered TiB/Ti Functionally Graded Material Specimens

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

Byrd, Larry; Beberniss, Tim; Chapman, Ben

2008-02-15

This paper covers the dynamic response of rectangular (25.4x101.6x3.175 mm) specimens manufactured from layers of TiB/Ti. The layers contained volume fractions of TiB that varied from 0 to 85% and thus formed a functionally graded material. Witness samples of the 85% TiB material were also tested to provide a baseline for the statistical variability of the test techniques. Static and dynamic tests were performed to determine the in situ material properties and fundamental frequencies. Damping in the material/ fixture was also found from the dynamic response. These tests were simulated using composite beam theory which gave an analytical solution, andmore » using finite element analysis. The response of the 85% TiB specimens was found to be much more uniform than the functionally graded material and the dynamic response more uniform than the static response. A least squares analysis of the data using the analytical solutions were used to determine the elastic modulus and Poisson's ratio of each layer. These results were used to model the response in the finite element analysis. The results indicate that current analytical and numerical methods for modeling the material give similar and adequate predictions for natural frequencies if the measured property values were used. The models did not agree as well if the properties from the manufacturer or those of Hill and Linn were used.« less
Structure and physical properties of silkworm cocoons

PubMed Central

Chen, Fujia; Porter, David; Vollrath, Fritz

2012-01-01

Silkworm cocoons have evolved a wide range of different structures and combinations of physical and chemical properties in order to cope with different threats and environmental conditions. We present our observations and measurements on 25 diverse types of cocoons in a first attempt to correlate physical properties with the structure and morphology of the cocoons. These two architectural parameters appear to be far more important than the material properties of the silk fibres themselves. We consider tensile and compressive mechanical properties and gas permeation of the cocoon walls, and in each case identify mechanisms or models that relate these properties to cocoon structure, usually based upon non-woven fibre composites. These properties are of relevance also for synthetic non-woven composite materials and our studies will help formulate bio-inspired design principles for new materials. PMID:22552916
Ferromagnetic viscoelastic liquid crystalline materials

NASA Astrophysics Data System (ADS)

Schlesier, Cristina; Shibaev, Petr; McDonald, Scott

2012-02-01

Novel ferromagnetic liquid crystalline materials were designed by mixing ferromagnetic nanoparticles with glass forming oligomers and low molar mass liquid crystals. The matrix in which nanoparticles are embedded is highly viscous that reduces aggregation of nanoparticles and stabilizes the whole composition. Mechanical and optical properties of the composite material are studied in the broad range of nanoparticle concentrations. The mechanical properties of the viscoelastic composite material resemble those of chemically crosslinked elastomers (elasticity and reversibility of deformations). The optical properties of ferromagnetic cholesteric materials are discussed in detail. It is shown that application of magnetic field leads to the shift of the selective reflection band of the cholesteric material and dramatically change its color. Theoretical model is suggested to account for the observed effects; physical properties of the novel materials and liquid crystalline elastomers are compared and discussed. [1] P.V. Shibaev, C. Schlesier, R. Uhrlass, S. Woodward, E. Hanelt, Liquid Crystals, 37, 1601 (2010) [2] P.V. Shibaev, R. Uhrlass, S. Woodward, C. Schlesier, Md R. Ali, E. Hanelt, Liquid Crystals, 37, 587 (2010)
Dynamics of a DNA Gel

NASA Astrophysics Data System (ADS)

Adhikari, Ramesh; Bhattacharya, Aniket; Dogariu, Aristide

We study in silico the properties of a gel consisting of DNA strands (modeled as semi-flexible chains) and linkers of varying flexibility, length, and topology. These linkers are envisioned and modeled as active components with additional attributes so as to mimic properties of a synthetic DNA gel containing motor proteins. We use Brownian dynamics to directly obtain frequency dependent complex shear moduli of the gel. We further carry out force spectroscopy on these computer generated gels and study the relaxation properties as a function of the important parameters of the model, e.g., densities and relative ratios of the DNAs and the linkers, the average life time of a link, etc. Our studies are relevant for designing synthetic bio-materials for both materials and medical applications.
A strategy to apply machine learning to small datasets in materials science

NASA Astrophysics Data System (ADS)

Zhang, Ying; Ling, Chen

2018-12-01

There is growing interest in applying machine learning techniques in the research of materials science. However, although it is recognized that materials datasets are typically smaller and sometimes more diverse compared to other fields, the influence of availability of materials data on training machine learning models has not yet been studied, which prevents the possibility to establish accurate predictive rules using small materials datasets. Here we analyzed the fundamental interplay between the availability of materials data and the predictive capability of machine learning models. Instead of affecting the model precision directly, the effect of data size is mediated by the degree of freedom (DoF) of model, resulting in the phenomenon of association between precision and DoF. The appearance of precision-DoF association signals the issue of underfitting and is characterized by large bias of prediction, which consequently restricts the accurate prediction in unknown domains. We proposed to incorporate the crude estimation of property in the feature space to establish ML models using small sized materials data, which increases the accuracy of prediction without the cost of higher DoF. In three case studies of predicting the band gap of binary semiconductors, lattice thermal conductivity, and elastic properties of zeolites, the integration of crude estimation effectively boosted the predictive capability of machine learning models to state-of-art levels, demonstrating the generality of the proposed strategy to construct accurate machine learning models using small materials dataset.
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
Three Dimensional Distribution of Sensitive Field and Stress Field Inversion of Force Sensitive Materials under Constant Current Excitation.

PubMed

Zhao, Shuanfeng; Liu, Min; Guo, Wei; Zhang, Chuanwei

2018-02-28

Force sensitive conductive composite materials are functional materials which can be used as the sensitive material of force sensors. However, the existing sensors only use one-dimensional electrical properties of force sensitive conductive materials. Even in tactile sensors, the measurement of contact pressure is achieved by large-scale arrays and the units of a large-scale array are also based on the one-dimensional electrical properties of force sensitive materials. The main contribution of this work is to study the three-dimensional electrical properties and the inversion method of three-dimensional stress field of a force sensitive material (conductive rubber), which pushes the application of force sensitive material from one dimensional to three-dimensional. First, the mathematical model of the conductive rubber current field distribution under a constant force is established by the effective medium theory, and the current field distribution model of conductive rubber with different geometry, conductive rubber content and conductive rubber relaxation parameters is deduced. Secondly, the inversion method of the three-dimensional stress field of conductive rubber is established, which provides a theoretical basis for the design of a new tactile sensor, three-dimensional stress field and space force based on force sensitive materials.
Effect of processing on Polymer/Composite structure and properties

NASA Technical Reports Server (NTRS)

1982-01-01

Advances in the vitality and economic health of the field of polymer forecasting are discussed. A consistent and rational point of view which considers processing as a participant in the underlying triad of relationships which comprise materials science and engineering is outlined. This triad includes processing as it influences material structure, and ultimately properties. Methods in processing structure properties, polymer science and engineering, polymer chemistry and synthesis, structure and modification and optimization through processing, and methods of melt flow modeling in processing structure property relations of polymer were developed. Mechanical properties of composites are considered, and biomedical materials research to include polymer processing effects are studied. An analysis of the design technology of advances graphite/epoxy composites is also reported.
Mechanistic materials modeling for nuclear fuel performance

DOE PAGES

Tonks, Michael R.; Andersson, David; Phillpot, Simon R.; ...

2017-03-15

Fuel performance codes are critical tools for the design, certification, and safety analysis of nuclear reactors. However, their ability to predict fuel behavior under abnormal conditions is severely limited by their considerable reliance on empirical materials models correlated to burn-up (a measure of the number of fission events that have occurred, but not a unique measure of the history of the material). In this paper, we propose a different paradigm for fuel performance codes to employ mechanistic materials models that are based on the current state of the evolving microstructure rather than burn-up. In this approach, a series of statemore » variables are stored at material points and define the current state of the microstructure. The evolution of these state variables is defined by mechanistic models that are functions of fuel conditions and other state variables. The material properties of the fuel and cladding are determined from microstructure/property relationships that are functions of the state variables and the current fuel conditions. Multiscale modeling and simulation is being used in conjunction with experimental data to inform the development of these models. Finally, this mechanistic, microstructure-based approach has the potential to provide a more predictive fuel performance capability, but will require a team of researchers to complete the required development and to validate the approach.« less
Modeling of intense pulsed ion beam heated masked targets for extreme materials characterization

DOE PAGES

Barnard, John J.; Schenkel, Thomas

2017-11-15

Intense, pulsed ion beams locally heat materials and deliver dense electronic excitations that can induce material modifications and phase transitions. Material properties can potentially be stabilized by rapid quenching. Pulsed ion beams with pulse lengths of order ns have recently become available for materials processing. Here, we optimize mask geometries for local modification of materials by intense ion pulses. The goal is to rapidly excite targets volumetrically to the point where a phase transition or local lattice reconstruction is induced followed by rapid cooling that stabilizes desired material's properties fast enough before the target is altered or damaged by, e.g.,more » hydrodynamic expansion. By using a mask, the longitudinal dimension can be large compared to the transverse dimension, allowing the possibility of rapid transverse cooling. We performed HYDRA simulations that calculate peak temperatures for a series of excitation conditions and cooling rates of silicon targets with micro-structured masks and compare these to a simple analytical model. In conclusion, the model gives scaling laws that can guide the design of targets over a wide range of pulsed ion beam parameters.« less

Modeling of intense pulsed ion beam heated masked targets for extreme materials characterization

NASA Astrophysics Data System (ADS)

Barnard, John J.; Schenkel, Thomas

2017-11-01

Intense, pulsed ion beams locally heat materials and deliver dense electronic excitations that can induce material modifications and phase transitions. Material properties can potentially be stabilized by rapid quenching. Pulsed ion beams with pulse lengths of order ns have recently become available for materials processing. Here, we optimize mask geometries for local modification of materials by intense ion pulses. The goal is to rapidly excite targets volumetrically to the point where a phase transition or local lattice reconstruction is induced followed by rapid cooling that stabilizes desired material's properties fast enough before the target is altered or damaged by, e.g., hydrodynamic expansion. By using a mask, the longitudinal dimension can be large compared to the transverse dimension, allowing the possibility of rapid transverse cooling. We performed HYDRA simulations that calculate peak temperatures for a series of excitation conditions and cooling rates of silicon targets with micro-structured masks and compare these to a simple analytical model. The model gives scaling laws that can guide the design of targets over a wide range of pulsed ion beam parameters.
Modeling process-structure-property relationships for additive manufacturing

NASA Astrophysics Data System (ADS)

Yan, Wentao; Lin, Stephen; Kafka, Orion L.; Yu, Cheng; Liu, Zeliang; Lian, Yanping; Wolff, Sarah; Cao, Jian; Wagner, Gregory J.; Liu, Wing Kam

2018-02-01

This paper presents our latest work on comprehensive modeling of process-structure-property relationships for additive manufacturing (AM) materials, including using data-mining techniques to close the cycle of design-predict-optimize. To illustrate the processstructure relationship, the multi-scale multi-physics process modeling starts from the micro-scale to establish a mechanistic heat source model, to the meso-scale models of individual powder particle evolution, and finally to the macro-scale model to simulate the fabrication process of a complex product. To link structure and properties, a highefficiency mechanistic model, self-consistent clustering analyses, is developed to capture a variety of material response. The model incorporates factors such as voids, phase composition, inclusions, and grain structures, which are the differentiating features of AM metals. Furthermore, we propose data-mining as an effective solution for novel rapid design and optimization, which is motivated by the numerous influencing factors in the AM process. We believe this paper will provide a roadmap to advance AM fundamental understanding and guide the monitoring and advanced diagnostics of AM processing.
A multilevel approach to modeling of porous bioceramics

NASA Astrophysics Data System (ADS)

Mikushina, Valentina A.; Sidorenko, Yury N.

2015-10-01

The paper is devoted to discussion of multiscale models of heterogeneous materials using principles. The specificity of approach considered is the using of geometrical model of composites representative volume, which must be generated with taking the materials reinforcement structure into account. In framework of such model may be considered different physical processes which have influence on the effective mechanical properties of composite, in particular, the process of damage accumulation. It is shown that such approach can be used to prediction the value of composite macroscopic ultimate strength. As an example discussed the particular problem of the study the mechanical properties of biocomposite representing porous ceramics matrix filled with cortical bones tissue.
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.
Engineering Biomaterial Properties for Central Nervous System Applications

NASA Astrophysics Data System (ADS)

Rivet, Christopher John

Biomaterials offer unique properties that are intrinsic to the chemistry of the material itself or occur as a result of the fabrication process; iron oxide nanoparticles are superparamagnetic, which enables controlled heating in the presence of an alternating magnetic field, and a hydrogel and electrospun fiber hybrid material provides minimally invasive placement of a fibrous, artificial extracellular matrix for tissue regeneration. Utilization of these unique properties towards central nervous system disease and dysfunction requires a thorough definition of the properties in concert with full biological assessment. This enables development of material-specific features to elicit unique cellular responses. Iron oxide nanoparticles are first investigated for material-dependent, cortical neuron cytotoxicity in vitro and subsequently evaluated for alternating magnetic field stimulation induced hyperthermia, emulating the clinical application for enhanced chemotherapy efficacy in glioblastoma treatment. A hydrogel and electrospun fiber hybrid material is first applied to a rat brain to evaluate biomaterial interface astrocyte accumulation as a function of hybrid material composition. The hybrid material is then utilized towards increasing functional engraftment of dopaminergic progenitor neural stem cells in a mouse model of Parkinson's disease. Taken together, these two scenarios display the role of material property characterization in development of biomaterial strategies for central nervous system repair and regeneration.
Thermal modelling of normal distributed nanoparticles through thickness in an inorganic material matrix

NASA Astrophysics Data System (ADS)

Latré, S.; Desplentere, F.; De Pooter, S.; Seveno, D.

2017-10-01

Nanoscale materials showing superior thermal properties have raised the interest of the building industry. By adding these materials to conventional construction materials, it is possible to decrease the total thermal conductivity by almost one order of magnitude. This conductivity is mainly influenced by the dispersion quality within the matrix material. At the industrial scale, the main challenge is to control this dispersion to reduce or even eliminate thermal bridges. This allows to reach an industrially relevant process to balance out the high material cost and their superior thermal insulation properties. Therefore, a methodology is required to measure and describe these nanoscale distributions within the inorganic matrix material. These distributions are either random or normally distributed through thickness within the matrix material. We show that the influence of these distributions is meaningful and modifies the thermal conductivity of the building material. Hence, this strategy will generate a thermal model allowing to predict the thermal behavior of the nanoscale particles and their distributions. This thermal model will be validated by the hot wire technique. For the moment, a good correlation is found between the numerical results and experimental data for a randomly distributed form of nanoparticles in all directions.
Complex Study of the Physical Properties of Reticulated Vitreous Carbon

NASA Astrophysics Data System (ADS)

Alifanov, O. M.; Cherepanov, V. V.; Morzhukhina, A. V.

2015-01-01

We give an example of using a two-level identifi cation system incorporating an augmented mathematical model covering the structure, the thermal, electrophysical, and optical properties of nonmetallic ultraporous reticulated materials. The model, when combined with a nonstationary thermal experiment and methods of the theory of inverse heat transfer problems, permits determining the little studied characteristics of the above materials. We present some of the results of investigations of reticulated vitreous carbon confirming the possibility of using it in a number of engineering applications.
A New Material Mapping Procedure for Quantitative Computed Tomography-Based, Continuum Finite Element Analyses of the Vertebra

PubMed Central

Unnikrishnan, Ginu U.; Morgan, Elise F.

2011-01-01

Inaccuracies in the estimation of material properties and errors in the assignment of these properties into ﬁnite element models limit the reliability, accuracy, and precision of quantitative computed tomography (QCT)-based ﬁnite element analyses of the vertebra. In this work, a new mesh-independent, material mapping procedure was developed to improve the quality of predictions of vertebral mechanical behavior from QCT-based ﬁnite element models. In this procedure, an intermediate step, called the material block model, was introduced to determine the distribution of material properties based on bone mineral density, and these properties were then mapped onto the ﬁnite element mesh. A sensitivity study was ﬁrst conducted on a calibration phantom to understand the inﬂuence of the size of the material blocks on the computed bone mineral density. It was observed that varying the material block size produced only marginal changes in the predictions of mineral density. Finite element (FE) analyses were then conducted on a square column-shaped region of the vertebra and also on the entire vertebra in order to study the effect of material block size on the FE-derived outcomes. The predicted values of stiffness for the column and the vertebra decreased with decreasing block size. When these results were compared to those of a mesh convergence analysis, it was found that the inﬂuence of element size on vertebral stiffness was less than that of the material block size. This mapping procedure allows the material properties in a ﬁnite element study to be determined based on the block size required for an accurate representation of the material ﬁeld, while the size of the ﬁnite elements can be selected independently and based on the required numerical accuracy of the ﬁnite element solution. The mesh-independent, material mapping procedure developed in this study could be particularly helpful in improving the accuracy of ﬁnite element analyses of vertebroplasty and spine metastases, as these analyses typically require mesh reﬁnement at the interfaces between distinct materials. Moreover, the mapping procedure is not speciﬁc to the vertebra and could thus be applied to many other anatomic sites. PMID:21823740
On Structure and Properties of Amorphous Materials

PubMed Central

Stachurski, Zbigniew H.

2011-01-01

Mechanical, optical, magnetic and electronic properties of amorphous materials hold great promise towards current and emergent technologies. We distinguish at least four categories of amorphous (glassy) materials: (i) metallic; (ii) thin films; (iii) organic and inorganic thermoplastics; and (iv) amorphous permanent networks. Some fundamental questions about the atomic arrangements remain unresolved. This paper focuses on the models of atomic arrangements in amorphous materials. The earliest ideas of Bernal on the structure of liquids were followed by experiments and computer models for the packing of spheres. Modern approach is to carry out computer simulations with prediction that can be tested by experiments. A geometrical concept of an ideal amorphous solid is presented as a novel contribution to the understanding of atomic arrangements in amorphous solids. PMID:28824158
Investigation of Effective Material Properties of Stony Meteorites

NASA Technical Reports Server (NTRS)

Agrawal, Parul; Carlozzi, Alex; Bryson, Kathryn

2016-01-01

To assess the threat posed by an asteroid entering Earth's atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the Asteroid material properties is needed to achieve this objective. At present, the meteorite material found on Earth are the only objects from an entering asteroid that can be used as representative material and be tested inside a laboratory setting. Therefore, unit cell models are developed to determine the effective material properties of stony meteorites and in turn deduce the properties of asteroids. The unit cell is representative volume that accounts for diverse minerals, porosity, and matrix composition inside a meteorite. The various classes under investigation includes H-class, L-class, and LL-class chondrites. The effective mechanical properties such as Young's Modulus and Poisson's Ratio of the unit cell are calculated by performing several hundreds of Monte-Carlo simulations. Terrestrial analogs such as Basalt and Gabbro are being used to validate the unit cell methodology.
Optical and structural properties of cobalt-permalloy slanted columnar heterostructure thin films

NASA Astrophysics Data System (ADS)

Sekora, Derek; Briley, Chad; Schubert, Mathias; Schubert, Eva

2017-11-01

Optical and structural properties of sequential Co-column-NiFe-column slanted columnar heterostructure thin films with an Al2O3 passivation coating are reported. Electron-beam evaporated glancing angle deposition is utilized to deposit the sequential multiple-material slanted columnar heterostructure thin films. Mueller matrix generalized spectroscopic ellipsometry data is analyzed with a best-match model approach employing the anisotropic Bruggeman effective medium approximation formalism to determine bulk-like and anisotropic optical and structural properties of the individual Co and NiFe slanted columnar material sub-layers. Scanning electron microscopy is applied to image the Co-NiFe sequential growth properties and to verify the results of the ellipsometric analysis. Comparisons to single-material slanted columnar thin films and optically bulk solid thin films are presented and discussed. We find that the optical and structural properties of each material sub-layer of the sequential slanted columnar heterostructure film are distinct from each other and resemble those of their respective single-material counterparts.
Effect of Material Ion Exchanges on the Mechanical Stiffness Properties and Shear Deformation of Hydrated Cement Material Chemistry Structure C-S-H Jennite -- A Computational Modeling Study

NASA Astrophysics Data System (ADS)

Adebiyi, Babatunde Mattew

Material properties and performance are governed by material molecular chemistry structures and molecular level interactions. Methods to understand relationships between the material properties and performance and their correlation to the molecular level chemistry and morphology, and thus find ways of manipulating and adjusting matters at the atomistic level in order to improve material performance, are required. A computational material modeling methodology is investigated and demonstrated for a key cement hydrated component material chemistry structure of Calcium-Silicate-Hydrate (C-S-H) Jennite in this work. The effect of material ion exchanges on the mechanical stiffness properties and shear deformation behavior of hydrated cement material chemistry structure of Calcium Silicate Hydrate (C-S-H) Jennite was studied. Calcium ions were replaced with Magnesium ions in Jennite structure of the C-S-H gel. Different level of substitution of the ions was used. The traditional Jennite structure was obtained from the American Mineralogist Crystal Structure Database and super cells of the structures were created using a Molecular Dynamics Analyzer and Visualizer Material Studio. Molecular dynamics parameters used in the modeling analysis were determined by carrying out initial dynamic studies. 64 unit cell of C-S-H Jennite was used in material modeling analysis studies based on convergence results obtained from the elastic modulus and total energies. NVT forcite dynamics using COMPASS force field based on 200 ps dynamics time was used to determine mechanical modulus of the traditional C-S-H gel and the Magnesium ion modified structures. NVT Discover dynamics using COMPASS forcefield was used in the material modeling studies to investigate the influence of ionic exchange on the shear deformation of the associated material chemistry structures. A prior established quasi-static deformation method to emulate shear deformation of C-S-H material chemistry structure that is based on a triclinic crystal structure was used, by deforming the triclinic crystal structure at 0.2 degree per time step for 75 steps of deformation. It was observed that there is a decrease in the total energies of the systems as the percentage of magnesium ion increases in the C-S-H Jennite molecular structure systems. Investigation of effect of ion exchange on the elastic modulus shows that the elastic stiffness modulus tends to decrease as the amount of Mg in the systems increases, using either COMPASS or universal force field. On the other hand, shear moduli obtained after deforming the structures computed from the stress-strain curve obtained from material modeling increases as the amount of Mg increases in the system. The present investigations also showed that ultimate shear stress obtained from predicted shear stress---strain also increases with amount of Mg in the chemistry structure. Present study clearly demonstrates that computational material modeling following molecular dynamics analysis methodology is an effective way to predict and understand the effective material chemistry and additive changes on the stiffness and deformation characteristics in cementitious materials, and the results suggest that this method can be extended to other materials.
The Materials Genome Project

NASA Astrophysics Data System (ADS)

Aourag, H.

2008-09-01

In the past, the search for new and improved materials was characterized mostly by the use of empirical, trial- and-error methods. This picture of materials science has been changing as the knowledge and understanding of fundamental processes governing a material's properties and performance (namely, composition, structure, history, and environment) have increased. In a number of cases, it is now possible to predict a material's properties before it has even been manufactured thus greatly reducing the time spent on testing and development. The objective of modern materials science is to tailor a material (starting with its chemical composition, constituent phases, and microstructure) in order to obtain a desired set of properties suitable for a given application. In the short term, the traditional "empirical" methods for developing new materials will be complemented to a greater degree by theoretical predictions. In some areas, computer simulation is already used by industry to weed out costly or improbable synthesis routes. Can novel materials with optimized properties be designed by computers? Advances in modelling methods at the atomic level coupled with rapid increases in computer capabilities over the last decade have led scientists to answer this question with a resounding "yes'. The ability to design new materials from quantum mechanical principles with computers is currently one of the fastest growing and most exciting areas of theoretical research in the world. The methods allow scientists to evaluate and prescreen new materials "in silico" (in vitro), rather than through time consuming experimentation. The Materials Genome Project is to pursue the theory of large scale modeling as well as powerful methods to construct new materials, with optimized properties. Indeed, it is the intimate synergy between our ability to predict accurately from quantum theory how atoms can be assembled to form new materials and our capacity to synthesize novel materials atom-by-atom that gives to the Materials Genome Project its extraordinary intellectual vitality. Consequently, in designing new materials through computer simulation, our primary objective is to rapidly screen possible designs to find those few that will enhance the competitiveness of industries or have positive benefits to society. Examples include screening of cancer drugs, advances in catalysis for energy production, design of new alloys and multilayers and processing of semiconductors.
What makes an accurate and reliable subject-specific finite element model? A case study of an elephant femur

PubMed Central

Panagiotopoulou, O.; Wilshin, S. D.; Rayfield, E. J.; Shefelbine, S. J.; Hutchinson, J. R.

2012-01-01

Finite element modelling is well entrenched in comparative vertebrate biomechanics as a tool to assess the mechanical design of skeletal structures and to better comprehend the complex interaction of their form–function relationships. But what makes a reliable subject-specific finite element model? To approach this question, we here present a set of convergence and sensitivity analyses and a validation study as an example, for finite element analysis (FEA) in general, of ways to ensure a reliable model. We detail how choices of element size, type and material properties in FEA influence the results of simulations. We also present an empirical model for estimating heterogeneous material properties throughout an elephant femur (but of broad applicability to FEA). We then use an ex vivo experimental validation test of a cadaveric femur to check our FEA results and find that the heterogeneous model matches the experimental results extremely well, and far better than the homogeneous model. We emphasize how considering heterogeneous material properties in FEA may be critical, so this should become standard practice in comparative FEA studies along with convergence analyses, consideration of element size, type and experimental validation. These steps may be required to obtain accurate models and derive reliable conclusions from them. PMID:21752810
Stepping into the omics era: Opportunities and challenges for biomaterials science and engineering☆

PubMed Central

Rabitz, Herschel; Welsh, William J.; Kohn, Joachim; de Boer, Jan

2016-01-01

The research paradigm in biomaterials science and engineering is evolving from using low-throughput and iterative experimental designs towards high-throughput experimental designs for materials optimization and the evaluation of materials properties. Computational science plays an important role in this transition. With the emergence of the omics approach in the biomaterials field, referred to as materiomics, high-throughput approaches hold the promise of tackling the complexity of materials and understanding correlations between material properties and their effects on complex biological systems. The intrinsic complexity of biological systems is an important factor that is often oversimplified when characterizing biological responses to materials and establishing property-activity relationships. Indeed, in vitro tests designed to predict in vivo performance of a given biomaterial are largely lacking as we are not able to capture the biological complexity of whole tissues in an in vitro model. In this opinion paper, we explain how we reached our opinion that converging genomics and materiomics into a new field would enable a significant acceleration of the development of new and improved medical devices. The use of computational modeling to correlate high-throughput gene expression profiling with high throughput combinatorial material design strategies would add power to the analysis of biological effects induced by material properties. We believe that this extra layer of complexity on top of high-throughput material experimentation is necessary to tackle the biological complexity and further advance the biomaterials field. PMID:26876875
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
Information Management Workflow and Tools Enabling Multiscale Modeling Within ICME Paradigm

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Bednarcyk, Brett A.; Austin, Nic; Terentjev, Igor; Cebon, Dave; Marsden, Will

2016-01-01

With the increased emphasis on reducing the cost and time to market of new materials, the need for analytical tools that enable the virtual design and optimization of materials throughout their processing - internal structure - property - performance envelope, along with the capturing and storing of the associated material and model information across its lifecycle, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Fortunately, material information management systems and physics-based multiscale modeling methods have kept pace with the growing user demands. Herein, recent efforts to establish workflow for and demonstrate a unique set of web application tools for linking NASA GRC's Integrated Computational Materials Engineering (ICME) Granta MI database schema and NASA GRC's Integrated multiscale Micromechanics Analysis Code (ImMAC) software toolset are presented. The goal is to enable seamless coupling between both test data and simulation data, which is captured and tracked automatically within Granta MI®, with full model pedigree information. These tools, and this type of linkage, are foundational to realizing the full potential of ICME, in which materials processing, microstructure, properties, and performance are coupled to enable application-driven design and optimization of materials and structures.
Microstructure-property relationships and constitutive response of plastically graded case hardened steels

NASA Astrophysics Data System (ADS)

Klecka, Michael A.

Case hardened materials, popularly used in many demanding engineering applications such as bearings, gears, and wear/impact surfaces, have high surface hardness and a gradient in material properties (hardness, yield strength, etc.) as a function of depth; therefore, they behave as plastically graded materials. In the current study, two different commercially available case carburized steels along with two through hardened steels are characterized to obtain relationships among the volume fraction of subsurface carbides, indentation hardness, elastic modulus, and yield strength as a function of depth. A variety of methods including microindentation, nanoindentation, ultrasonic measurements, compression testing, rule of mixtures, and upper and lower bound models are used to determine the relationships for elastic modulus and compare the experimental results with model predictions. In addition, the morphology, composition, and properties of the carbide particles are also determined. The gradient in hardness with depth in graded materials is commonly determined using microindentation on the cross-section of the material which contains the gradation in microstructure or composition. In the current study, a novel method is proposed to predict the hardness gradient profile using solely surface indentations at a range of loads. The method does not require the graded material to be sectioned, and has practical utility in the surface heat-treatment industry. For a material with a decreasing gradient in hardness, higher indent loads result in a lower measured hardness due to the influence of the softer subsurface layers. A power-law model is presented which relates the measured surface indentation hardness under increasing load to the subsurface gradient in hardness. A coordinated experimental and numerical study is presented to extract the constitutive response of graded materials, utilizing relationships between hardness, plastic deformation, and strain hardening response. The average plastic strain induced by an indent is shown to be an effective measure of the representative plastic strain, which is used in order to relate hardness to yield strength in both virgin and plastically deformed materials. It is shown that the two carburized steels contain gradients in yield strength, but constant strain hardening exponent with depth. The resulting model of material behavior is used to characterize the influence of specific gradients in material properties on the surface indentation behavior under increasing indentation loads. It is also shown that the response of the material is not greatly influenced by strain hardening exponent, while a gradient in strain hardening ability only has minimal impact. Gradients in elastic properties are also shown to have negligible influence for a fixed gradient in hardness. The depth of subsurface plastic deformation is shown to increase with sharper gradients in hardness, but is not altered by gradients in elastic properties. The proposed approach is not specific to case hardened materials and can be used to determine the subsurface hardness gradient for any graded material.
Title: Experimental and analytical study of frictional anisotropy of nanotubes

NASA Astrophysics Data System (ADS)

Riedo, Elisa; Gao, Yang; Li, Tai-De; Chiu, Hsiang-Chih; Kim, Suenne; Klinke, Christian; Tosatti, Erio

The frictional properties of Carbon and Boron Nitride nanotubes (NTs) are very important in a variety of applications, including composite materials, carbon fibers, and micro/nano-electromechanical systems. Atomic force microscopy (AFM) is a powerful tool to investigate with nanoscale resolution the frictional properties of individual NTs. Here, we report on an experimental study of the frictional properties of different types of supported nanotubes by AFM. We also propose a quantitative model to describe and then predict the frictional properties of nanotubes sliding on a substrate along (longitudinal friction) or perpendicular (transverse friction) their axis. This model provides a simple but general analytical relationship that well describes the acquired experimental data. As an example of potential applications, this experimental method combined with the proposed model can guide to design better NTs-ceramic composites, or to self-assemble the nanotubes on a surface in a given direction. M. Lucas et al., Nature Materials 8, 876-881 (2009).
A Comparative study of two RVE modelling methods for chopped carbon fiber SMC

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

Chen, Zhangxing; Li, Yi; Shao, Yimin

To achieve vehicle light-weighting, the chopped carbon fiber sheet molding compound (SMC) is identified as a promising material to replace metals. However, there are no effective tools and methods to predict the mechanical property of the chopped carbon fiber SMC due to the high complexity in microstructure features and the anisotropic properties. In this paper, the Representative Volume Element (RVE) approach is used to model the SMC microstructure. Two modeling methods, the Voronoi diagram-based method and the chip packing method, are developed for material RVE property prediction. The two methods are compared in terms of the predicted elastic modulus andmore » the predicted results are validated using the Digital Image Correlation (DIC) tensile test results. Furthermore, the advantages and shortcomings of these two methods are discussed in terms of the required input information and the convenience of use in the integrated processing-microstructure-property analysis.« less

A novel algorithm using an orthotropic material model for topology optimization

NASA Astrophysics Data System (ADS)

Tong, Liyong; Luo, Quantian

2017-09-01

This article presents a novel algorithm for topology optimization using an orthotropic material model. Based on the virtual work principle, mathematical formulations for effective orthotropic material properties of an element containing two materials are derived. An algorithm is developed for structural topology optimization using four orthotropic material properties, instead of one density or area ratio, in each element as design variables. As an illustrative example, minimum compliance problems for linear and nonlinear structures are solved using the present algorithm in conjunction with the moving iso-surface threshold method. The present numerical results reveal that: (1) chequerboards and single-node connections are not present even without filtering; (2) final topologies do not contain large grey areas even using a unity penalty factor; and (3) the well-known numerical issues caused by low-density material when considering geometric nonlinearity are resolved by eliminating low-density elements in finite element analyses.
Characterization and Analysis of Triaxially Braided Polymer Composites under Static and Impact Loads

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Roberts, Gary D.; Blinzler, Brina J.; Kohlman, Lee W.; Binienda, Wieslaw K.

2012-01-01

In order to design impact resistant aerospace components made of triaxially-braided polymer matrix composite materials, a need exists to have reliable impact simulation methods and a detailed understanding of the material behavior. Traditional test methods and specimen designs have yielded unrealistic material property data due to material mechanisms such as edge damage. To overcome these deficiencies, various alternative testing geometries such as notched flat coupons have been examined to alleviate difficulties observed with standard test methods. The results from the coupon level tests have been used to characterize and validate a macro level finite element-based model which can be used to simulate the mechanical and impact response of the braided composites. In the analytical model, the triaxial braid unit cell is approximated by using four parallel laminated composites, each with a different fiber layup, which roughly simulates the braid architecture. In the analysis, each of these laminated composites is modeled as a shell element. Currently, each shell element is considered to be a smeared homogeneous material. Simplified micromechanics techniques and lamination theory are used to determine the equivalent stiffness properties of each shell element, and results from the coupon level tests on the braided composite are used to back out the strength properties of each shell element. Recent improvements to the model include the incorporation of strain rate effects into the model. Simulations of ballistic impact tests have been carried out to investigate and verify the analysis approach.
Transferable Reactive Force Fields: Extensions of ReaxFF-lg to Nitromethane.

PubMed

Larentzos, James P; Rice, Betsy M

2017-03-09

Transferable ReaxFF-lg models of nitromethane that predict a variety of material properties over a wide range of thermodynamic states are obtained by screening a library of ∼6600 potentials that were previously optimized through the Multiple Objective Evolutionary Strategies (MOES) approach using a training set that included information for other energetic materials composed of carbon, hydrogen, nitrogen, and oxygen. Models that best match experimental nitromethane lattice constants at 4.2 K and 1 atm are evaluated for transferability to high-pressure states at room temperature and are shown to better predict various liquid- and solid-phase structural, thermodynamic, and transport properties as compared to the existing ReaxFF and ReaxFF-lg parametrizations. Although demonstrated for an energetic material, the library of ReaxFF-lg models is supplied to the scientific community to enable new research explorations of complex reactive phenomena in a variety of materials research applications.
Mechanical Characterization and Modeling of ALUMINUM—EPOXY Particulate Composites with and Without Notches

NASA Astrophysics Data System (ADS)

Papanicolaou, G. C.; Xepapadaki, A. G.; Aggelakopoulos, G. A.

2008-08-01

The aim of the present investigation is to study both the influence of particle weight fraction (0-50%) and the effect of the notch length on the static mechanical properties of aluminium particle epoxy composites. Experimental results in both cases were compared with three different theoretical models [1-3], previously developed by the first author and presented in a series of publications First, for the evaluation of the maximum strength the particle sectioning model (PSM) was applied [1]. According to this model each particle is divided into an infinite number of coaxial cylinders and by applying Cox's theory the mean stress developed in each section of the particle may be calculated. Next, for the evaluation of the elastic modulus as a function of aluminium powder weight fraction, the interphase model [2] was applied. This model takes into account the existence of an interphase developed between the two main phases. The interphase constitutes an important parameter influencing the behavior of any composite material. The interphase layer which is developed in the area between the matrix and filler is characterized by different physico-chemical properties from those of the constituent phases and variable ones along its thickness. Predicted values were in satisfactory agreement with almost all percentages of aluminum particles. Finally, in the case of notches' length influence, the RPM (Residual Property Model) was applied. This model [3] can be applied for the description of the residual behaviour of materials after damage. As it has already been proved in previous publications, the model gives satisfactory predictions for the residual materials properties variations irrespectively of the cause of damage and the type of the material considered at the time. In the present case, the damage is in the form of a crack-like edge centered notch and the RPM model is applied to describe variations of static properties (i.e., bending modulus and bending strength) as a function of the notch length. In all cases predicted values showed a satisfactory agreement with experimental findings.
Feed-Forward Neural Network Prediction of the Mechanical Properties of Sandcrete Materials

PubMed Central

Asteris, Panagiotis G.; Roussis, Panayiotis C.; Douvika, Maria G.

2017-01-01

This work presents a soft-sensor approach for estimating critical mechanical properties of sandcrete materials. Feed-forward (FF) artificial neural network (ANN) models are employed for building soft-sensors able to predict the 28-day compressive strength and the modulus of elasticity of sandcrete materials. To this end, a new normalization technique for the pre-processing of data is proposed. The comparison of the derived results with the available experimental data demonstrates the capability of FF ANNs to predict with pinpoint accuracy the mechanical properties of sandcrete materials. Furthermore, the proposed normalization technique has been proven effective and robust compared to other normalization techniques available in the literature. PMID:28598400
A new approach for modeling composite materials

NASA Astrophysics Data System (ADS)

Alcaraz de la Osa, R.; Moreno, F.; Saiz, J. M.

2013-03-01

The increasing use of composite materials is due to their ability to tailor materials for special purposes, with applications evolving day by day. This is why predicting the properties of these systems from their constituents, or phases, has become so important. However, assigning macroscopical optical properties for these materials from the bulk properties of their constituents is not a straightforward task. In this research, we present a spectral analysis of three-dimensional random composite typical nanostructures using an Extension of the Discrete Dipole Approximation (E-DDA code), comparing different approaches and emphasizing the influences of optical properties of constituents and their concentration. In particular, we hypothesize a new approach that preserves the individual nature of the constituents introducing at the same time a variation in the optical properties of each discrete element that is driven by the surrounding medium. The results obtained with this new approach compare more favorably with the experiment than previous ones. We have also applied it to a non-conventional material composed of a metamaterial embedded in a dielectric matrix. Our version of the Discrete Dipole Approximation code, the EDDA code, has been formulated specifically to tackle this kind of problem, including materials with either magnetic and tensor properties.
Rheological and thermal properties of suspensions of microcapsules containing phase change materials.

PubMed

Cao, Vinh Duy; Salas-Bringas, Carlos; Schüller, Reidar Barfod; Szczotok, Anna M; Hiorth, Marianne; Carmona, Manuel; Rodriguez, Juan F; Kjøniksen, Anna-Lena

2018-01-01

The thermal and rheological properties of suspensions of microencapsulated phase change materials (MPCM) in glycerol were investigated. When the microcapsule concentration is raised, the heat storage capacity of the suspensions becomes higher and a slight decline in the thermal conductivity of the suspensions is observed. The temperature-dependent shear-thinning behaviour of the suspensions was found to be strongly affected by non-encapsulated phase change materials (PCM). Accordingly, the rheological properties of the MPCM suspensions could be described by the Cross model below the PCM melting point while a power law model best described the data above the PCM melting point. The MPCM suspensions are interesting for energy storage and heat transfer applications. However, the non-encapsulated PCM contributes to the agglomeration of the microcapsules, which can lead to higher pumping consumption and clogging of piping systems.
On the Coupling Between the Incus and the Stapes in the Cat

PubMed Central

Heng Siah, T.; McKee, Marc D.; Daniel, Sam J.; Decraemer, Willem F.

2005-01-01

The connection between the long process and the lenticular process of the incus is extremely fine, so much so that some authors have treated the lenticular process as a separate bone. We review descriptions of the lenticular process that have appeared in the literature, and present some new histological observations. We discuss the dimensions and composition of the lenticular process and of the incudostapedial joint, and present estimates of the material properties for the bone, cartilage, and ligament of which they are composed. We present a preliminary finite-element model which includes the lenticular plate, the bony pedicle connecting the lenticular plate to the long process, the head of the stapes, and the incudostapedial joint. The model has a much simplified geometry. We present simulation results for ranges of values for the material properties. We then present simulation results for this model when it is incorporated into an overall model of the middle ear of the cat. For the geometries and material properties used here, the bony pedicle is found to contribute significant flexibility to the coupling between the incus and the stapes. PMID:15735938
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.
Left Ventricular Diastolic and Systolic Material Property Estimation from Image Data

PubMed Central

Krishnamurthy, Adarsh; Villongco, Christopher; Beck, Amanda; Omens, Jeffrey; McCulloch, Andrew

2015-01-01

Cardiovascular simulations using patient-specific geometries can help researchers understand the mechanical behavior of the heart under different loading or disease conditions. However, to replicate the regional mechanics of the heart accurately, both the nonlinear passive and active material properties must be estimated reliably. In this paper, automated methods were used to determine passive material properties while simultaneously computing the unloaded reference geometry of the ventricles for stress analysis. Two different approaches were used to model systole. In the first, a physiologically-based active contraction model [1] coupled to a hemodynamic three-element Windkessel model of the circulation was used to simulate ventricular ejection. In the second, developed active tension was directly adjusted to match ventricular volumes at end-systole while prescribing the known end-systolic pressure. These methods were tested in four normal dogs using the data provided for the LV mechanics challenge [2]. The resulting end-diastolic and end-systolic geometry from the simulation were compared with measured image data. PMID:25729778
Application of the Materials-by-Design Methodology to Redesign a New Grade of the High-Strength Low-Alloy Class of Steels with Improved Mechanical Properties and Processability

NASA Astrophysics Data System (ADS)

Grujicic, M.; Snipes, J. S.; Ramaswami, S.

2016-01-01

An alternative to the traditional trial-and-error empirical approach for the development of new materials is the so-called materials-by-design approach. Within the latter approach, a material is treated as a complex system and its design and optimization is carried out by employing computer-aided engineering analyses, predictive tools, and available material databases. In the present work, the materials-by-design approach is utilized to redesign a grade of high-strength low-alloy (HSLA) class of steels with improved mechanical properties (primarily strength and fracture toughness), processability (e.g., castability, hot formability, and weldability), and corrosion resistance. Toward that end, a number of material thermodynamics, kinetics of phase transformations, and physics of deformation and fracture computational models and databases have been developed/assembled and utilized within a multi-disciplinary, two-level material-by-design optimization scheme. To validate the models, their prediction is compared against the experimental results for the related steel HSLA100. Then the optimization procedure is employed to determine the optimal chemical composition and the tempering schedule for a newly designed grade of the HSLA class of steels with enhanced mechanical properties, processability, and corrosion resistance.
A wave model for rigid-frame porous materials using lumped parameter concepts

NASA Astrophysics Data System (ADS)

Rossetti, S.; Gardonio, P.; Brennan, M. J.

2005-08-01

The work presented in this paper concerns the behaviour of porous media when exposed to a normal incidence sound field. A propagating wave model based on lumped parameter concepts of acoustic mass, stiffness and damping is used to investigate the absorption phenomena due to the wave propagation in the layer(s) and interference effects due to the wave reflection-transmission at the interfaces of the layer(s). Results from the theoretical model have been validated by measurements on samples of consolidated rubber granulate material. Two typical installations where a layer of porous material is placed next to a rigid wall, and where it is placed at a distance from a rigid wall are used as reference cases. The geometrical and physical properties of porous materials can be described by such parameters as the non-dimensional shape factor and the porosity. The propagating model introduced is used to investigate the effect of these two parameters on acoustic absorption and thus relate the physical properties to the acoustic behaviour.
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
Heterogeneous Deformable Modeling of Bio-Tissues and Haptic Force Rendering for Bio-Object Modeling

NASA Astrophysics Data System (ADS)

Lin, Shiyong; Lee, Yuan-Shin; Narayan, Roger J.

This paper presents a novel technique for modeling soft biological tissues as well as the development of an innovative interface for bio-manufacturing and medical applications. Heterogeneous deformable models may be used to represent the actual internal structures of deformable biological objects, which possess multiple components and nonuniform material properties. Both heterogeneous deformable object modeling and accurate haptic rendering can greatly enhance the realism and fidelity of virtual reality environments. In this paper, a tri-ray node snapping algorithm is proposed to generate a volumetric heterogeneous deformable model from a set of object interface surfaces between different materials. A constrained local static integration method is presented for simulating deformation and accurate force feedback based on the material properties of a heterogeneous structure. Biological soft tissue modeling is used as an example to demonstrate the proposed techniques. By integrating the heterogeneous deformable model into a virtual environment, users can both observe different materials inside a deformable object as well as interact with it by touching the deformable object using a haptic device. The presented techniques can be used for surgical simulation, bio-product design, bio-manufacturing, and medical applications.
Ballistic Impact Testing of Aluminum 2024 and Titanium 6Al-4V for Material Model Development

NASA Technical Reports Server (NTRS)

Pereira, J. Michael; Revilock, Duane M.; Ruggeri, Charles R.; Emmerling, William C.; Altobelli, Donald J.

2012-01-01

An experimental program is underway to develop a consistent set of material property and impact test data, and failure analysis, for a variety of materials that can be used to develop improved impact failure and deformation models. Unique features of this set of data are that all material property information and impact test results are obtained using identical materials, the test methods and procedures are extensively documented and all of the raw data is available. This report describes ballistic impact testing which has been conducted on aluminum (Al) 2024 and titanium (Ti) 6Al-4vanadium (V) sheet and plate samples of different thicknesses and with different types of projectiles, one a regular cylinder and one with a more complex geometry incorporating features representative of a jet engine fan blade.
Cell Model Of A Disordered Solid

NASA Technical Reports Server (NTRS)

Peng, Steven T. J.; Landel, Robert F.; Moacanin, Jovan; Simha, Robert; Papazoglou, Elizabeth

1990-01-01

Elastic properties predicted from first principles. Paper discusses generalization of cell theory of disordered (non-crystaline) solid to include anisotropic stresses. Study part of continuing effort to understand macroscopic stress-and-strain properties of solid materials in terms of microscopic physical phenomena. Emphasis on derivation, from first principles, of bulk, shear, and Young's moduli of glassy material at zero absolute temperature.
Obesity-related changes in bone structural and material properties in hyperphagic OLETF rats and protection by voluntary wheel running

USDA-ARS?s Scientific Manuscript database

We conducted a study to examine how the development of obesity and the associated insulin resistance affect bone structural and material properties, and bone formation and resorption markers in the Otsuka Long-Evans Tokushima Fatty (OLETF) rat model. This was a 36-week study of sedentary, hyperphag...
An Innovative Context-Based Module to Introduce Students to the Optical Properties of Materials

ERIC Educational Resources Information Center

Testa, I.; Lombardi, S.; Monroy, G.; Sassi, E.

2011-01-01

A context-based module to introduce secondary school students to the study of the optical properties of materials and geometric optics is presented. The module implements an innovative teaching approach in which the behaviour of the chosen application, in this article, the optical fibre, is iteratively explored and modelled by means of a…
Correlation between microstructure and electrical transport properties of La0.7(Ba1-xCax)0.3MnO3 (x = 0 and 0.03) synthesized by sol-gel

NASA Astrophysics Data System (ADS)

Kurniawan, Budhy; Winarsih, Suci; Imaduddin, Agung; Manaf, Azwar

2018-03-01

In this paper, we reported the correlation of structure, microstructure, and electrical transport properties of polycrystalline La0.7(Ba1-xCax)0.3MnO3 (x = 0 and 0.03). The materials were synthesized by sol-gel method. These materials have interesting electronic and magnetic properties which are heavily affected by the degree of crystallographic mismatch between the La and Mn sites. By tuning these sites, the double exchange (DE) and Coulomb interactions among Mn ions can be artificially controlled. La0.7Ba0.3MnO3 is one of the strong candidates for application because it has high magnetoresistance and magnetocaloric properties. Doped Ca to the La0.7Ba0.3MnO3 is aimed for reducing its transition temperature to near room temperature and increasing the magnetoresistance and magnetocaloric properties of this material. Jahn-Teller distortion can be linked to core-shell model with the result of percolation model.
Relationship between Surface Properties and In Vitro Drug Release from Compressed Matrix Containing Polymeric Materials with Different Hydrophobicity Degrees

PubMed Central

Yarce, Cristhian J.; Echeverri, Juan D.; Palacio, Mario A.; Rivera, Carlos A.; Salamanca, Constain H.

2017-01-01

This work is the continuation of a study focused on establishing relations between surface thermodynamic properties and in vitro release mechanisms using a model drug (ampicillin trihydrate), besides analyzing the granulometric properties of new polymeric materials and thus establishing the potential to be used in the pharmaceutical field as modified delivery excipients. To do this, we used copolymeric materials derived from maleic anhydride with decreasing polarity corresponding to poly(isobutylene-alt-maleic acid) (hydrophilic), sodium salt of poly(maleic acid-alt-octadecene) (amphiphilic), poly(maleic anhydride-alt-octadecene) (hydrophobic) and the reference polymer hydroxyl-propyl-methyl-cellulose (HPMC). Each material alone and in blends underwent spectroscopic characterization by FTIR, thermal characterization by DSC and granulometric characterization using flow and compaction tests. Each tablet was prepared at different polymer ratios of 0%, 10%, 20%, 30% and 40%, and the surface properties were determined, including the roughness by micro-visualization, contact angle and water absorption rate by the sessile drop method and obtaining Wadh and surface free energy (SFE) using the semi-empirical models of Young–Dupré and Owens-Wendt-Rabel-Käelbe (OWRK), respectively. Dissolution profiles were determined simulating physiological conditions in vitro, where the kinetic models of order-zero, order-one, Higuchi and Korsmeyer–Peppas were evaluated. The results showed a strong relationship between the proportion and nature of the polymer to the surface thermodynamic properties and kinetic release mechanism. PMID:28125020

In vivo degradation in modern orthopaedic UHMWPE bearings and structural characterization of a novel alternative UHMWPE material

NASA Astrophysics Data System (ADS)

Reinitz, Steven D.

Ultra-high molecular weight polyethylene (UHMWPE) remains the most common bearing material for total joint arthroplasty. Advances in radiation cross-linking and other post-consolidation treatments have led to a rapid differentiation of polyethylene products on the market, with more than twenty unique materials currently being sold by the five largest orthopaedic manufacturers alone. Through oxidation, cross-link density, and free radical measurements, this work demonstrates for the first time that in vivo material degradation is occurring in cross-linked UHMWPE materials. Based on the rate of the reaction in certain materials, it is concluded that oxidative degradation may compromise the mechanical properties of the bearings in as few as ten years, potentially leading to early clinical failure of the devices. Using the knowledge gained from this work as well as previously published observations about UHMWPE oxidation, a two-mechanism model of oxidation is proposed that offers an explanation for the observed in vivo changes. From this model it is concluded that oxidative degradation is in part the result of in vivo chemical species. The two-mechanism model of oxidation suggests that different processing techniques for UHMWPE may reduce the risk of oxidative degradation. It is concluded that by avoiding any radiation cross-linking step, Equal Channel Angular Processing (ECAP) can produce UHMWPE materials with a reduced risk for in vivo oxidation while at the same time offering superior mechanical properties compared to commercially available UHMWPE materials, as well as similar wear behavior. Using dynamic mechanical analysis, the entanglement density in ECAP materials is quantified, and is related back to the ECAP processing parameters. The relationship between entanglement density and resultant material properties is established. The results will allow informed processing parameter selection for producing optimized materials for orthopaedics and other applications.
Characterization and imaging of nanostructured materials using tabletop extreme ultraviolet light sources

NASA Astrophysics Data System (ADS)

Karl, Robert; Knobloch, Joshua; Frazer, Travis; Tanksalvala, Michael; Porter, Christina; Bevis, Charles; Chao, Weilun; Abad Mayor, Begoña.; Adams, Daniel; Mancini, Giulia F.; Hernandez-Charpak, Jorge N.; Kapteyn, Henry; Murnane, Margaret

2018-03-01

Using a tabletop coherent extreme ultraviolet source, we extend current nanoscale metrology capabilities with applications spanning from new models of nanoscale transport and materials, to nanoscale device fabrication. We measure the ultrafast dynamics of acoustic waves in materials; by analyzing the material's response, we can extract elastic properties of films as thin as 11nm. We extend this capability to a spatially resolved imaging modality by using coherent diffractive imaging to image the acoustic waves in nanostructures as they propagate. This will allow for spatially resolved characterization of the elastic properties of non-isotropic materials.
Micro-mechanics modelling of smart materials

NASA Astrophysics Data System (ADS)

Shah, Syed Asim Ali

Metal Matrix ceramic-reinforced composites are rapidly becoming strong candidates as structural materials for many high temperature and engineering applications. Metal matrix composites (MMC) combine the ductile properties of the matrix with a brittle phase of the reinforcement, leading to high stiffness and strength with a reduction in structural weight. The main objective of using a metal matrix composite system is to increase service temperature or improve specific mechanical properties of structural components by replacing existing super alloys.The purpose of the study is to investigate, develop and implement second phase reinforcement alloy strengthening empirical model with SiCp reinforced A359 aluminium alloy composites on the particle-matrix interface and the overall mechanical properties of the material.To predict the interfacial fracture strength of aluminium, in the presence of silicon segregation, an empirical model has been modified. This model considers the interfacial energy caused by segregation of impurities at the interface and uses Griffith crack type arguments to predict the formation energies of impurities at the interface. Based on this, model simulations were conducted at nano scale specifically at the interface and the interfacial strengthening behaviour of reinforced aluminium alloy system was expressed in terms of elastic modulus.The numerical model shows success in making prediction possible of trends in relation to segregation and interfacial fracture strength behaviour in SiC particle-reinforced aluminium matrix composites. The simulation models using various micro scale modelling techniques to the aluminum alloy matrix composite, strengthenedwith varying amounts of silicon carbide particulate were done to predict the material state at critical points with properties of Al-SiC which had been heat treated.In this study an algorithm is developed to model a hard ceramic particle in a soft matrix with a clear distinct interface and a strain based relationship has been proposed for the strengthening behaviour of the MMC at the interface rather than stress based, by successfully completing the numerical modelling of particulate reinforced metal matrix composites.
Composite laminate failure parameter optimization through four-point flexure experimentation and analysis

DOE PAGES

Nelson, Stacy; English, Shawn; Briggs, Timothy

2016-05-06

Fiber-reinforced composite materials offer light-weight solutions to many structural challenges. In the development of high-performance composite structures, a thorough understanding is required of the composite materials themselves as well as methods for the analysis and failure prediction of the relevant composite structures. However, the mechanical properties required for the complete constitutive definition of a composite material can be difficult to determine through experimentation. Therefore, efficient methods are necessary that can be used to determine which properties are relevant to the analysis of a specific structure and to establish a structure's response to a material parameter that can only be definedmore » through estimation. The objectives of this paper deal with demonstrating the potential value of sensitivity and uncertainty quantification techniques during the failure analysis of loaded composite structures; and the proposed methods are applied to the simulation of the four-point flexural characterization of a carbon fiber composite material. Utilizing a recently implemented, phenomenological orthotropic material model that is capable of predicting progressive composite damage and failure, a sensitivity analysis is completed to establish which material parameters are truly relevant to a simulation's outcome. Then, a parameter study is completed to determine the effect of the relevant material properties' expected variations on the simulated four-point flexural behavior as well as to determine the value of an unknown material property. This process demonstrates the ability to formulate accurate predictions in the absence of a rigorous material characterization effort. Finally, the presented results indicate that a sensitivity analysis and parameter study can be used to streamline the material definition process as the described flexural characterization was used for model validation.« less
Metallurgical studies of NITRONIC 40 with reference to its use for cryogenic wind tunnel models

NASA Technical Reports Server (NTRS)

Wigley, D. A.

1983-01-01

The characterstics of NITRONIC 40 were investigated in connection with its use in cryogenic wind tunnel models. In particular, the effects of carbide and sigma-phase precipitation resulting from heat treatment and the presence of delta ferrite were evaluated in relation to their effects on mechanical properties and the potential consequences of such degradation. Methods were examined for desensitizing the material and for possible removal of delta ferrite as a means of restoring the material to its advertised properties. It was found that heat treatment followed by cryogenic quenching is a technique capable of desensitizing NITRONIC 40. However, it was concluded that it is extremely difficult, if not impossible, to remove the delta ferrite from the existing stock of material. Furthermore, heat treatments for removing delta ferrite have to take place at temperatures that cause very large grain growth. The implications of using the degraded NITRONIC 40 material for cryogenic model testing were reviewed, and recommendations were submitted with regard to the acceptability of the material. The experience gained from the study of NITRONIC 40 clearly identifies the need to implement a policy for purchasing top-quality materials for cryogenic wind tunnel model applications.
Properties predictive modeling through the concept of a hybrid interphase existing between phases in contact

NASA Astrophysics Data System (ADS)

Portan, D. V.; Papanicolaou, G. C.

2018-02-01

From practical point of view, predictive modeling based on the physics of composite material behavior is wealth generating; by guiding material system selection and process choices, by cutting down on experimentation and associated costs; and by speeding up the time frame from the research stage to the market place. The presence of areas with different properties and the existence of an interphase between them have a pronounced influence on the behavior of a composite system. The Viscoelastic Hybrid Interphase Model (VHIM), considers the existence of a non-homogeneous viscoelastic and anisotropic interphase having properties depended on the degree of adhesion between the two phases in contact. The model applies for any physical/mechanical property (e.g. mechanical, thermal, electrical and/or biomechanical). Knowing the interphasial variation of a specific property one can predict the corresponding macroscopic behavior of the composite. Moreover, the model acts as an algorithm and a two-way approach can be used: (i) phases in contact may be chosen to get the desired properties of the final composite system or (ii) the initial phases in contact determine the final behavior of the composite system, that can be approximately predicted. The VHIM has been proven, amongst others, to be extremely useful in biomaterial designing for improved contact with human tissues.
Uncertainties in the Thermal and Mechanical Properties of Particulate Composites Quantified

NASA Technical Reports Server (NTRS)

Murthy, Pappu L. N.; Mital, Subodh K.

2001-01-01

Particle-reinforced composites are candidate materials for a wide variety of aerospace and nonaerospace applications. The high costs and technical difficulties involved with the use of many fiber-reinforced composites often limit their use in many applications. Consequently, particulate composites have emerged as viable alternatives to conventional fiber-reinforced composites. Particulate composites can be processed to near net shapepotentially reducing the manufacturing costs. They are candidate materials where shock or impact properties are important. For example, particle-reinforced metal matrix composites have shown great potential for many automotive applications. Typically, these materials are aluminum matrix reinforced with SiC or TiC particles. Reinforced concrete can also be thought of as a particle-reinforced composite. In situ ceramics can be modeled as particulate composites and are candidate materials for many high-temperature applications. The characterization of these materials is fundamental to their reliable use. It has been observed that the overall properties of these composites exhibit scatter because of the uncertainty in the constituent material properties, and fabrication-related parameters.
Meso-modeling of Carbon Fiber Composite for Crash Safety Analysis

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

Lin, Shih-Po; Chen, Yijung; Zeng, Danielle

2017-04-06

In the conventional approach, the material properties for crash safety simulations are typically obtained from standard coupon tests, where the test results only provide single layer material properties used in crash simulations. However, the lay-up effects for the failure behaviors of the real structure were not considered in numerical simulations. Hence, there was discrepancy between the crash simulations and experimental tests. Consequently, an intermediate stage is required for accurate predictions. Some component tests are required to correlate the material models in the intermediate stage. In this paper, a Mazda Tube under high-impact velocity is chosen as an example for themore » crash safety analysis. The tube consists of 24 layers of uni-directional (UD) carbon fiber composite materials, in which 4 layers are perpendicular to, while the other layers are parallel to the impact direction. An LS-DYNA meso-model was constructed with orthotropic material models counting for the single-layer material behaviors. Between layers, a node-based tie-break contact was used for modeling the delamination of the composite material. Since fiber directions are not single-oriented, the lay-up effects could be an important effect. From the first numerical trial, premature material failure occurred due to the use of material parameters obtained directly from the coupon tests. Some parametric studies were conducted to identify the cause of the numerical instability. The finding is that the material failure strength used in the numerical model needs to be enlarged to stabilize the numerical model. Some hypothesis was made to provide the foundation for enlarging the failure strength and the corresponding experiments will be conducted to validate the hypothesis.« less
Inverse estimation of the elastic and anelastic properties of the porous frame of anisotropic open-cell foams.

PubMed

Cuenca, Jacques; Göransson, Peter

2012-08-01

This paper presents a method for simultaneously identifying both the elastic and anelastic properties of the porous frame of anisotropic open-cell foams. The approach is based on an inverse estimation procedure of the complex stiffness matrix of the frame by performing a model fit of a set of transfer functions of a sample of material subjected to compression excitation in vacuo. The material elastic properties are assumed to have orthotropic symmetry and the anelastic properties are described using a fractional-derivative model within the framework of an augmented Hooke's law. The inverse estimation problem is formulated as a numerical optimization procedure and solved using the globally convergent method of moving asymptotes. To show the feasibility of the approach a numerically generated target material is used here as a benchmark. It is shown that the method provides the full frequency-dependent orthotropic complex stiffness matrix within a reasonable degree of accuracy.
Cybermaterials: materials by design and accelerated insertion of materials

NASA Astrophysics Data System (ADS)

Xiong, Wei; Olson, Gregory B.

2016-02-01

Cybermaterials innovation entails an integration of Materials by Design and accelerated insertion of materials (AIM), which transfers studio ideation into industrial manufacturing. By assembling a hierarchical architecture of integrated computational materials design (ICMD) based on materials genomic fundamental databases, the ICMD mechanistic design models accelerate innovation. We here review progress in the development of linkage models of the process-structure-property-performance paradigm, as well as related design accelerating tools. Extending the materials development capability based on phase-level structural control requires more fundamental investment at the level of the Materials Genome, with focus on improving applicable parametric design models and constructing high-quality databases. Future opportunities in materials genomic research serving both Materials by Design and AIM are addressed.
Modeling adsorption properties of structurally deformed metal–organic frameworks using structure–property map

PubMed Central

Lim, Dae-Woon; Kim, Sungjune; Harale, Aadesh; Yoon, Minyoung; Suh, Myunghyun Paik; Kim, Jihan

2017-01-01

Structural deformation and collapse in metal-organic frameworks (MOFs) can lead to loss of long-range order, making it a challenge to model these amorphous materials using conventional computational methods. In this work, we show that a structure–property map consisting of simulated data for crystalline MOFs can be used to indirectly obtain adsorption properties of structurally deformed MOFs. The structure–property map (with dimensions such as Henry coefficient, heat of adsorption, and pore volume) was constructed using a large data set of over 12000 crystalline MOFs from molecular simulations. By mapping the experimental data points of deformed SNU-200, MOF-5, and Ni-MOF-74 onto this structure–property map, we show that the experimentally deformed MOFs share similar adsorption properties with their nearest neighbor crystalline structures. Once the nearest neighbor crystalline MOFs for a deformed MOF are selected from a structure–property map at a specific condition, then the adsorption properties of these MOFs can be successfully transformed onto the degraded MOFs, leading to a new way to obtain properties of materials whose structural information is lost. PMID:28696307
Derivation of the stress-strain behavior of the constituents of bio-inspired layered TiO2/PE-nanocomposites by inverse modeling based on FE-simulations of nanoindentation test.

PubMed

Lasko, G; Schäfer, I; Burghard, Z; Bill, J; Schmauder, S; Weber, U; Galler, D

2013-03-01

Owing to the apparent simple morphology and peculiar properties, nacre, an iridescent layer, coating of the inner part of mollusk shells, has attracted considerable attention of biologists, material scientists and engineers. The basic structural motif in nacre is the assembly of oriented plate-like aragonite crystals with a 'brick' (CaCO3 crystals) and 'mortar' (macromolecular components like proteins) organization. Many scientific researchers recognize that such structures are associated with the excellent mechanical properties of nacre and biomimetic strategies have been proposed to produce new layered nanocomposites. During the past years, increasing efforts have been devoted towards exploiting nacre's structural design principle in the synthesis of novel nanocomposites. However, the direct transfer of nacre's architecture to an artificial inorganic material has not been achieved yet. In the present contribution we report on laminated architecture, composed of the inorganic oxide (TiO2) and organic polyelectrolyte (PE) layers which fulfill this task. To get a better insight and understanding concerning the mechanical behaviour of bio-inspired layered materials consisting of oxide ceramics and organic layers, the elastic-plastic properties of titanium dioxide and organic polyelectrolyte phase are determined via FE-modelling of the nanoindentation process. With the use of inverse modeling and based on numerical models which are applied on the microscopic scale, the material properties of the constituents are derived.
Structure-property relations and modeling of small crack fatigue behavior of various magnesium alloys

NASA Astrophysics Data System (ADS)

Bernard, Jairus Daniel

Lightweight structural components are important to the automotive and aerospace industries so that better fuel economy can be realized. Magnesium alloys in particular are being examined to fulfill this need due to their attractive stiffness- and strength-to-weight ratios when compared to other materials. However, when introducing a material into new roles, one needs to properly characterize its mechanical properties. Fatigue behavior is especially important considering aerospace and automotive component applications. Therefore, quantifying the structure-property relationships and accurately predicting the fatigue behavior for these materials are vital. This study has two purposes. The first is to quantify the structure-property relationships for the fatigue behavior in an AM30 magnesium alloy. The second is to use the microstructural-based MultiStage Fatigue (MSF) model in order to accurately predict the fatigue behavior of three magnesium alloys: AM30, Elektron 21, and AZ61. While some studies have previously quantified the MSF material constants for several magnesium alloys, detailed research into the fatigue regimes, notably the microstructurally small crack (MSC) region, is lacking. Hence, the contribution of this work is the first of its kind to experimentally quantify the fatigue crack incubation and MSC regimes that are used for the MultiStage Fatigue model. Using a multi-faceted experimental approach, these regimes were explored with a replica method that used a dual-stage silicone based compound along with previously published in situ fatigue tests. These observations were used in calibrating the MultiStage Fatigue model.
Ageing of polymer bonds: a coupled chemomechanical modelling approach

NASA Astrophysics Data System (ADS)

Dippel, Benedikt; Johlitz, Michael; Lion, Alexander

2014-05-01

With the increasing number of requirements on joinings, it gets more and more important to understand and predict an assemblies properties. Nowadays, in industrial applications, combinations of different materials get more common. In most of those cases, it is, besides other advantages, useful to connect such parts with adhesives to avoid local cells. Thus, the knowledge about the mechanical behaviour of adhesives over the whole time of utilisation is an essential element of engineering. As it is well known, ageing due to environmental influences such as oxygen, radiation, ozone and others plays a major role in polymers properties. So, for the prediction of applicability over the whole lifetime of a technical component, the change in mechanical properties due to ageing is necessary. In this contribution, we introduce a material model which takes into account the internal structure of an adhesive. Therefore, an interphase zone is introduced. In the interphase, which is developed due to the contact of an adhesive with an adherent, the materials properties change continuously from the surface to the centre of the joint, where the polymer is in a bulky state. Built up on this geometry dependency, the materials ageing as a function of the position is described. To model the change of the polymers state, we use a parameter representing chain scission processes and another one for the reformation of a new network. In a last step, the model is transferred into a finite element code for exemplary calculations.
Prediction of high temperature metal matrix composite ply properties

NASA Technical Reports Server (NTRS)

Caruso, J. J.; Chamis, C. C.

1988-01-01

The application of the finite element method (superelement technique) in conjunction with basic concepts from mechanics of materials theory is demonstrated to predict the thermomechanical behavior of high temperature metal matrix composites (HTMMC). The simulated behavior is used as a basis to establish characteristic properties of a unidirectional composite idealized an as equivalent homogeneous material. The ply properties predicted include: thermal properties (thermal conductivities and thermal expansion coefficients) and mechanical properties (moduli and Poisson's ratio). These properties are compared with those predicted by a simplified, analytical composite micromechanics model. The predictive capabilities of the finite element method and the simplified model are illustrated through the simulation of the thermomechanical behavior of a P100-graphite/copper unidirectional composite at room temperature and near matrix melting temperature. The advantage of the finite element analysis approach is its ability to more precisely represent the composite local geometry and hence capture the subtle effects that are dependent on this. The closed form micromechanics model does a good job at representing the average behavior of the constituents to predict composite behavior.
Mapping Viscoelastic and Plastic Properties of Polymers and Polymer-Nanotube Composites using Instrumented Indentation

PubMed Central

Gayle, Andrew J.; Cook, Robert F.

2016-01-01

An instrumented indentation method is developed for generating maps of time-dependent viscoelastic and time-independent plastic properties of polymeric materials. The method is based on a pyramidal indentation model consisting of two quadratic viscoelastic Kelvin-like elements and a quadratic plastic element in series. Closed-form solutions for indentation displacement under constant load and constant loading-rate are developed and used to determine and validate material properties. Model parameters are determined by point measurements on common monolithic polymers. Mapping is demonstrated on an epoxy-ceramic interface and on two composite materials consisting of epoxy matrices containing multi-wall carbon nanotubes. A fast viscoelastic deformation process in the epoxy was unaffected by the inclusion of the nanotubes, whereas a slow viscoelastic process was significantly impeded, as was the plastic deformation. Mapping revealed considerable spatial heterogeneity in the slow viscoelastic and plastic responses in the composites, particularly in the material with a greater fraction of nanotubes. PMID:27563168
Graphene-magnesium nanocomposite: An advanced material for aerospace application

NASA Astrophysics Data System (ADS)

Das, D. K.; Sarkar, Jit

2018-02-01

This work focuses on the analytical study of mechanical and thermal properties of a nanocomposite that can be obtained by reinforcing graphene in magnesium. The estimated mechanical and thermal properties of graphene-magnesium nanocomposite are much higher than magnesium and other existing alloys used in aerospace materials. We also altered the weight percentage of graphene in the composite and observed mechanical and thermal properties of the composite increase with increase in concentration of graphene reinforcement. The Young’s modulus and thermal conductivity of graphene-magnesium nanocomposite are found to be ≥165 GPa and ≥175 W/mK, respectively. Nanocomposite material with desired properties for targeted applications can also be designed by our analytical modeling technique. This graphene-magnesium nanocomposite can be used for designing improved aerospace structure systems with enhanced properties.
Is Seismically Determined Q an Intrinsic Material Property?

NASA Astrophysics Data System (ADS)

Langston, C. A.

2003-12-01

The seismic quality factor, Q, has a well-defined physical meaning as an intrinsic material property associated with a visco-elastic or a non-linear stress-strain constitutive relation for a material. Measurement of Q from seismic waves, however, involves interpreting seismic wave amplitude and phase as deviations from some ideal elastic wave propagation model. Thus, assumptions in the elastic wave propagation model become the basis for attributing anelastic properties to the earth continuum. Scientifically, the resulting Q model derived from seismic data is no more than a hypothesis that needs to be verified by other independent experiments concerning the continuum constitutive law and through careful examination of the truth of the assumptions in the wave propagation model. A case in point concerns the anelasticity of Mississippi embayment sediments in the central U.S. that has important implications for evaluation of earthquake strong ground motions. Previous body wave analyses using converted Sp phases have suggested that Qs is ~30 in the sediments based on simple ray theory assumptions. However, detailed modeling of 1D heterogeneity in the sediments shows that Qs cannot be resolved by the Sp data. An independent experiment concerning the amplitude decay of surface waves propagating in the sediments shows that Qs must be generally greater than 80 but is also subject to scattering attenuation. Apparent Q effects seen in direct P and S waves can also be produced by wave tunneling mechanisms in relatively simple 1D heterogeneity. Heterogeneity is a general geophysical attribute of the earth as shown by many high-resolution data sets and should be used as the first litmus test on assumptions made in seismic Q studies before a Q model can be interpreted as an intrinsic material property.
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
Disorder-induced stiffness degradation of highly disordered porous materials

NASA Astrophysics Data System (ADS)

Laubie, Hadrien; Monfared, Siavash; Radjaï, Farhang; Pellenq, Roland; Ulm, Franz-Josef

2017-09-01

The effective mechanical behavior of multiphase solid materials is generally modeled by means of homogenization techniques that account for phase volume fractions and elastic moduli without considering the spatial distribution of the different phases. By means of extensive numerical simulations of randomly generated porous materials using the lattice element method, the role of local textural properties on the effective elastic properties of disordered porous materials is investigated and compared with different continuum micromechanics-based models. It is found that the pronounced disorder-induced stiffness degradation originates from stress concentrations around pore clusters in highly disordered porous materials. We identify a single disorder parameter, φsa, which combines a measure of the spatial disorder of pores (the clustering index, sa) with the pore volume fraction (the porosity, φ) to scale the disorder-induced stiffness degradation. Thus, we conclude that the classical continuum micromechanics models with one spherical pore phase, due to their underlying homogeneity assumption fall short of addressing the clustering effect, unless additional texture information is introduced, e.g. in form of the shift of the percolation threshold with disorder, or other functional relations between volume fractions and spatial disorder; as illustrated herein for a differential scheme model representative of a two-phase (solid-pore) composite model material.

The effect of fluid and solid properties on the auxetic behavior of porous materials having rock-like microstructures

DOE PAGES

Wollner, U.; Vanorio, T.; Kiss, A. M.

2017-09-30

Materials with a negative Poisson's Ratio (PR), known as auxetics, exhibit the counterintuitive behavior of becoming wider when uniaxially stretched and thinner when compressed. Though negative PR is characteristic of polymer foams or cellular solids, tight as well as highly porous rocks have also been reported to exhibit negative PR. The paper proposes a novel auxetic structure based on pore-space configuration observed in rocks. We developed a theoretical auxetic 3D model consisting of rotating rigid bodies. To alleviate the mechanical assumption of rotating bodies, the theoretical model was modified to include crack-like features being represented by intersecting, elliptic cylinders. Wemore » then used a 3D printer to create a physical version of the modified model, whose PR was tested. We also numerically explored how the compressibility of fluids located in the pore-space of the modified model as well as how the elastic properties of the material from which the model is made of affect its auxetic behavior. Here, we conclude that for a porous medium composed of a single material saturated with a single fluid (a) the more compliant the fluid is and (b) the lower the PR of the solid material, the lower the PR value of the composite material.« less
The effect of fluid and solid properties on the auxetic behavior of porous materials having rock-like microstructures

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

Wollner, U.; Vanorio, T.; Kiss, A. M.

Materials with a negative Poisson's Ratio (PR), known as auxetics, exhibit the counterintuitive behavior of becoming wider when uniaxially stretched and thinner when compressed. Though negative PR is characteristic of polymer foams or cellular solids, tight as well as highly porous rocks have also been reported to exhibit negative PR. The paper proposes a novel auxetic structure based on pore-space configuration observed in rocks. We developed a theoretical auxetic 3D model consisting of rotating rigid bodies. To alleviate the mechanical assumption of rotating bodies, the theoretical model was modified to include crack-like features being represented by intersecting, elliptic cylinders. Wemore » then used a 3D printer to create a physical version of the modified model, whose PR was tested. We also numerically explored how the compressibility of fluids located in the pore-space of the modified model as well as how the elastic properties of the material from which the model is made of affect its auxetic behavior. Here, we conclude that for a porous medium composed of a single material saturated with a single fluid (a) the more compliant the fluid is and (b) the lower the PR of the solid material, the lower the PR value of the composite material.« less
Classroom Demonstrations in Materials Science/Engineering.

ERIC Educational Resources Information Center

Hirschhorn, J. S.; And Others

Examples are given of demonstrations used at the University of Wisconsin in a materials science course for nontechnical students. Topics include crystal models, thermal properties, light, and corrosion. (MLH)
Point Defects in Oxides: Tailoring Materials Through Defect Engineering

NASA Astrophysics Data System (ADS)

Tuller, Harry L.; Bishop, Sean R.

2011-08-01

Optimization of electrical, optical, mechanical, and other properties of many advanced, functional materials today relies on precise control of point defects. This article illustrates the progress that has been made in elucidating the often complex equilibria exhibited by many materials by examining two recently well-characterized model systems, TlBr for radiation detection and PrxCe1-xO2-δ, of potential interest in solid-oxide fuel cells. The interplay between material composition, electrical conductivity, and mechanical properties (electrochemomechanics) is discussed, and implications in these relations, for example, enhancing electrical properties through large mechanical strains, are described. The impact of space charge and strain fields at interfaces, particularly important in nanostructure materials, is also emphasized. Key experimental techniques useful in characterizing bulk and surface defects are summarized and reviewed.
Theoretical and material studies on thin-film electroluminescent devices

NASA Technical Reports Server (NTRS)

Summers, C. J.; Brennan, K. F.

1986-01-01

Electroluminescent materials and device technology were assessed. The evaluation strongly suggests the need for a comprehensive theoretical and experimental study of both materials and device structures, particularly in the following areas: carrier generation and multiplication; radiative and nonradiative processes of luminescent centers; device modeling; new device concepts; and single crystal materials growth and characterization. Modeling of transport properties of hot electrons in ZnSe and the generation of device concepts were initiated.
Constitutive Modeling of Piezoelectric Polymer Composites

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Gates, Tom (Technical Monitor)

2003-01-01

A new modeling approach is proposed for predicting the bulk electromechanical properties of piezoelectric composites. The proposed model offers the same level of convenience as the well-known Mori-Tanaka method. In addition, it is shown to yield predicted properties that are, in most cases, more accurate or equally as accurate as the Mori-Tanaka scheme. In particular, the proposed method is used to determine the electromechanical properties of four piezoelectric polymer composite materials as a function of inclusion volume fraction. The predicted properties are compared to those calculated using the Mori-Tanaka and finite element methods.
Wetting, superhydrophobicity, and icephobicity in biomimetic composite materials

NASA Astrophysics Data System (ADS)

Hejazi, Vahid

Recent developments in nano- and bio-technology require new materials. Among these new classes of materials which have emerged in the recent years are biomimetic materials, which mimic structure and properties of materials found in living nature. There are a large number of biological objects including bacteria, animals and plants with properties of interest for engineers. Among these properties is the ability of the lotus leaf and other natural materials to repel water, which has inspired researchers to prepare similar surfaces. The Lotus effect involving roughness-induced superhydrophobicity is a way to design nonwetting, self-cleaning, omniphobic, icephobic, and antifouling surfaces. The range of actual and potential applications of superhydrophobic surfaces is diverse including optical, building and architecture, textiles, solar panels, lab-on-a-chip, microfluidic devices, and applications requiring antifouling from biological and organic contaminants. In this thesis, in chapter one, we introduce the general concepts and definitions regarding the wetting properties of the surfaces. In chapter two, we develop novel models and conduct experiments on wetting of composite materials. To design sustainable superhydrophobic metal matrix composite (MMC) surfaces, we suggest using hydrophobic reinforcement in the bulk of the material, rather than only at its surface. We experimentally study the wetting properties of graphite-reinforced Al- and Cu-based composites and conclude that the Cu-based MMCs have the potential to be used in the future for the applications where the wear-resistant superhydrophobicity is required. In chapter three, we introduce hydrophobic coating at the surface of concrete materials making them waterproof to prevent material failure, because concretes and ceramics cannot stop water from seeping through them and forming cracks. We create water-repellant concretes with CA close to 160o using superhydrophobic coating. In chapter four, experimental data are collected in terms of oleophobicity especially when underwater applications are of interest. We develop models for four-phase rough interface of underwater oleophobicity and develop a novel approach to predict the CA of organic liquid on the rough surfaces immersed in water. We investigate wetting transition on a patterned surface in underwater systems, using a phase field model. We demonstrated that roughening on an immersed solid surface can drive the transition from Wenzel to Cassie-Baxter state. This discovery improves our understanding of underwater systems and their surface interactions during the wetting phenomenon and can be applied for the development of underwater oil-repellent materials which are of interest for various applications in the water industry, and marine devices. In chapter five, we experimentally and theoretically investigate the icephobicity of composite materials. A novel comprehensive definition of icephobicity, broad enough to cover a variety of situations including low adhesion strength, delayed ice crystallization, and bouncing is determined. Wetting behavior and ice adhesion properties of various samples are theoretically and experimentally compared. We conclude superhydrophobic surfaces are not necessarily icephobic. The models are tested against the experimental data to verify the good agreement between them. The models can be used for the design of novel superhydrophobic, oleophobic, omniphobic and icephobic composite materials. Finally we conclude that creating surface micro/nanostructures using mechanical abrasion or chemical etching as well as applying low energy materials are the most simple, inexpensive, and durable techniques to create superhydrophobic, oleophobic, and icephobic materials.
The effect of interface properties on nickel base alloy composites

NASA Technical Reports Server (NTRS)

Groves, M.; Grossman, T.; Senemeier, M.; Wright, K.

1995-01-01

This program was performed to assess the extent to which mechanical behavior models can predict the properties of sapphire fiber/nickel aluminide matrix composites and help guide their development by defining improved combinations of matrix and interface coating. The program consisted of four tasks: 1) selection of the matrices and interface coating constituents using a modeling-based approach; 2) fabrication of the selected materials; 3) testing and evaluation of the materials; and 4) evaluation of the behavior models to develop recommendations. Ni-50Al and Ni-20AI-30Fe (a/o) matrices were selected which gave brittle and ductile behavior, respectively, and an interface coating of PVD YSZ was selected which provided strong bonding to the sapphire fiber. Significant fiber damage and strength loss was observed in the composites which made straightforward comparison of properties with models difficult. Nevertheless, the models selected generally provided property predictions which agreed well with results when fiber degradation was incorporated. The presence of a strong interface bond was felt to be detrimental in the NiAI MMC system where low toughness and low strength were observed.
Effective properties of dispersed phase reinforced composite materials with perfect and imperfect interfaces

NASA Astrophysics Data System (ADS)

Han, Ru

This thesis focuses on the analysis of dispersed phase reinforced composite materials with perfect as well as imperfect interfaces using the Boundary Element Method (BEM). Two problems of interest are considered, namely, to determine the limitations in the use of effective properties and the analysis of failure progression at the inclusion-matrix interface. The effective moduli (effective Young's modulus, effective Poisson's ratio, effective shear modulus, and effective bulk modulus) of composite materials can be determined at the mesoscopic level using three-dimensional parallel BEM simulations. By comparing the mesoscopic BEM results and the macroscopic results based on effective properties, limitations in the effective property approach can be determined. Decohesion is an important failure mode associated with fiber-reinforced composite materials. Analysis of failure progression at the fiber-matrix interface in fiber-reinforced composite materials is considered using a softening decohesion model consistent with thermodynamic concepts. In this model, the initiation of failure is given directly by a failure criterion. Damage is interpreted by the development of a discontinuity of displacement. The formulation describing the potential development of damage is governed by a discrete decohesive constitutive equation. Numerical simulations are performed using the direct boundary element method. Incremental decohesion simulations illustrate the progressive evolution of debonding zones and the propagation of cracks along the interfaces. The effect of decohesion on the macroscopic response of composite materials is also investigated.
Unleashing elastic energy: dynamics of energy release in rubber bands and impulsive biological systems

NASA Astrophysics Data System (ADS)

Ilton, Mark; Cox, Suzanne; Egelmeers, Thijs; Patek, S. N.; Crosby, Alfred J.

Impulsive biological systems - which include mantis shrimp, trap-jaw ants, and venus fly traps - can reach high speeds by using elastic elements to store and rapidly release energy. The material behavior and shape changes critical to achieving rapid energy release in these systems are largely unknown due to limitations of materials testing instruments operating at high speed and large displacement. In this work, we perform fundamental, proof-of-concept measurements on the tensile retraction of elastomers. Using high speed imaging, the kinematics of retraction are measured for elastomers with varying mechanical properties and geometry. Based on the kinematics, the rate of energy dissipation in the material is determined as a function of strain and strain-rate, along with a scaling relation which describes the dependence of maximum velocity on material properties. Understanding this scaling relation along with the material failure limits of the elastomer allows the prediction of material properties required for optimal performance. We demonstrate this concept experimentally by optimizing for maximum velocity in our synthetic model system, and achieve retraction velocities that exceed those in biological impulsive systems. This model system provides a foundation for future work connecting continuum performance to molecular architecture in impulsive systems.
Lifelong modelling of properties for materials with technological memory

NASA Astrophysics Data System (ADS)

Falaleev, AP; Meshkov, VV; Vetrogon, AA; Ogrizkov, SV; Shymchenko, AV

2016-10-01

An investigation of real automobile parts produced from dual phase steel during standard periods of life cycle is presented, which considers such processes as stamping, exploitation, automobile accident, and further repair. The development of the phenomenological model of the mechanical properties of such parts was based on the two surface plastic theory of Chaboche. As a consequence of the composite structure of dual phase steel, it was shown that local mechanical properties of parts produced from this material change significantly their during their life cycle, depending on accumulated plastic deformations and thermal treatments. Such mechanical property changes have a considerable impact on the accuracy of the computer modelling of automobile behaviour. The most significant errors of modelling were obtained at the critical operating conditions, such as crashes and accidents. The model developed takes into account the kinematics (Bauschinger effect), isotropic hardening, non-linear elastic steel behaviour and changes caused by the thermal treatment. Using finite element analysis, the model allows the evaluation of the passive safety of a repaired car body, and enables increased restoration accuracy following an accident. The model was confirmed experimentally for parts produced from dual phase steel DP780.
Asphalt pavement aging and temperature dependent properties using functionally graded viscoelastic model

NASA Astrophysics Data System (ADS)

Dave, Eshan V.

Asphalt concrete pavements are inherently graded viscoelastic structures. Oxidative aging of asphalt binder and temperature cycling due to climatic conditions being the major cause of non-homogeneity. Current pavement analysis and simulation procedures dwell on the use of layered approach to account for these non-homogeneities. The conventional finite-element modeling (FEM) technique discretizes the problem domain into smaller elements, each with a unique constitutive property. However the assignment of unique material property description to an element in the FEM approach makes it an unattractive choice for simulation of problems with material non-homogeneities. Specialized elements such as "graded elements" allow for non-homogenous material property definitions within an element. This dissertation describes the development of graded viscoelastic finite element analysis method and its application for analysis of asphalt concrete pavements. Results show that the present research improves efficiency and accuracy of simulations for asphalt pavement systems. Some of the practical implications of this work include the new technique's capability for accurate analysis and design of asphalt pavements and overlay systems and for the determination of pavement performance with varying climatic conditions and amount of in-service age. Other application areas include simulation of functionally graded fiber-reinforced concrete, geotechnical materials, metal and metal composites at high temperatures, polymers, and several other naturally existing and engineered materials.
Modeling Dynamic Helium Release as a Tracer of Rock Deformation

DOE PAGES

Gardner, W. Payton; Bauer, Stephen J.; Kuhlman, Kristopher L.; ...

2017-11-03

Here, we use helium released during mechanical deformation of shales as a signal to explore the effects of deformation and failure on material transport properties. A dynamic dual-permeability model with evolving pore and fracture networks is used to simulate gases released from shale during deformation and failure. Changes in material properties required to reproduce experimentally observed gas signals are explored. We model two different experiments of 4He flow rate measured from shale undergoing mechanical deformation, a core parallel to bedding and a core perpendicular to bedding. We also found that the helium signal is sensitive to fracture development and evolutionmore » as well as changes in the matrix transport properties. We constrain the timing and effective fracture aperture, as well as the increase in matrix porosity and permeability. Increases in matrix permeability are required to explain gas flow prior to macroscopic failure, and the short-term gas flow postfailure. Increased matrix porosity is required to match the long-term, postfailure gas flow. This model provides the first quantitative interpretation of helium release as a result of mechanical deformation. The sensitivity of this model to changes in the fracture network, as well as to matrix properties during deformation, indicates that helium release can be used as a quantitative tool to evaluate the state of stress and strain in earth materials.« less
Modeling Dynamic Helium Release as a Tracer of Rock Deformation

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

Gardner, W. Payton; Bauer, Stephen J.; Kuhlman, Kristopher L.

Here, we use helium released during mechanical deformation of shales as a signal to explore the effects of deformation and failure on material transport properties. A dynamic dual-permeability model with evolving pore and fracture networks is used to simulate gases released from shale during deformation and failure. Changes in material properties required to reproduce experimentally observed gas signals are explored. We model two different experiments of 4He flow rate measured from shale undergoing mechanical deformation, a core parallel to bedding and a core perpendicular to bedding. We also found that the helium signal is sensitive to fracture development and evolutionmore » as well as changes in the matrix transport properties. We constrain the timing and effective fracture aperture, as well as the increase in matrix porosity and permeability. Increases in matrix permeability are required to explain gas flow prior to macroscopic failure, and the short-term gas flow postfailure. Increased matrix porosity is required to match the long-term, postfailure gas flow. This model provides the first quantitative interpretation of helium release as a result of mechanical deformation. The sensitivity of this model to changes in the fracture network, as well as to matrix properties during deformation, indicates that helium release can be used as a quantitative tool to evaluate the state of stress and strain in earth materials.« less
In-Space Manufacturing Baseline Property Development

NASA Technical Reports Server (NTRS)

Stockman, Tom; Schneider, Judith; Prater, Tracie; Bean, Quincy; Werkheiser, Nicki

2016-01-01

The In-Space Manufacturing (ISM) project at NASA Marshall Space Flight Center currently operates a 3D FDM (fused deposition modeling) printer onboard the International Space Station. In order to enable utilization of this capability by designer, the project needs to establish characteristic material properties for materials produced using the process. This is difficult for additive manufacturing since standards and specifications do not yet exist for these technologies. Due to availability of crew time, there are limitations to the sample size which in turn limits the application of the traditional design allowables approaches to develop a materials property database for designers. In this study, various approaches to development of material databases were evaluated for use by designers of space systems who wish to leverage in-space manufacturing capabilities. This study focuses on alternative statistical techniques for baseline property development to support in-space manufacturing.
Materials property definition and generation for carbon-carbon and carbon phenolic materials

NASA Technical Reports Server (NTRS)

Canfield, A. R.; Mathis, J. R.; Starrett, H. S.; Koenig, J. R.

1987-01-01

A data base program to generate statistically significant material-property data for carbon-carbon and carbon phenolic materials to be used in designs of Space Shuttle is described. The program, which will provide data necessary for thermal and stress modeling of Shuttle nozzle and exit cone structures, includes evaluation of tension, compression, shear strength, shear modulus, thermal expansion, thermal conductivity, permeability, and emittance for both materials; the testing of carbon phenolic materials also includes CTE, off-gassing, pyrolysis, and RTG. Materials to be tested will be excised from Space Shuttle inlet, throat, and exit cone billets and modified involute carbon-carbon exit cones; coprocessed blocks, panels, and cylinders will also be tested.
Designing Optical Properties in DNA-Programmed Nanoparticle Superlattices

NASA Astrophysics Data System (ADS)

Ross, Michael Brendan

A grand challenge of modern science has been the ability to predict and design the properties of new materials. This approach to the a priori design of materials presents a number of challenges including: predictable properties of the material building blocks, a programmable means for arranging such building blocks into well understood architectures, and robust models that can predict the properties of these new materials. In this dissertation, we present a series of studies that describe how optical properties in DNA-programmed nanoparticle superlattices can be predicted prior to their synthesis. The first chapter provides a history and introduction to the study of metal nanoparticle arrays. Chapter 2 surveys and compares several geometric models and electrodynamics simulations with the measured optical properties of DNA-nanoparticle superlattices. Chapter 3 describes silver nanoparticle superlattices (rather than gold) and identifies their promise as plasmonic metamaterials. In chapter 4, the concept of plasmonic metallurgy is introduced, whereby it is demonstrated that concepts from materials science and metallurgy can be applied to the optical properties of mixed metallic plasmonic materials, unveiling rich and tunable optical properties such as color and asymmetric reflectivity. Chapter 5 presents a comprehensive theoretical exploration of anisotropy (non-spherical) in nanoparticle superlattice architectures. The role of anisotropy is discussed both on the nanoscale, where several desirable metamaterial properties can be tuned from the ultraviolet to near-infrared, and on the mesoscale, where the size and shape of a superlattice is demonstrated to have a pronounced effect on the observed far-field optical properties. Chapter 6 builds upon those theoretical data presented in chapter 5, including the experimental realization of size and shape dependent properties in DNA-programmed superlattices. Specifically, nanoparticle spacing is explored as a parameter that can be used to influence the properties of mesoscale single crystal superlattices, such that they exhibit either plasmonic absorption or photonic scattering. This concept is generalized through simulation, which demonstrates that the crystal habit (size, shape, and morphology) is a powerful design parameter for optical properties in mesoscale nanoparticle assemblies. Finally, chapter 7 summarizes these data and their impact, and puts them in context regarding future opportunities. This work presents a comprehensive demonstration that the optical properties of nanoparticle-based architectures can be precisely controlled and deliberately designed a priori using the unique programmability of DNA and the use of several levels of predictive electromagnetic theory.
A dynamic mechanical analysis technique for porous media

PubMed Central

Pattison, Adam J; McGarry, Matthew; Weaver, John B; Paulsen, Keith D

2015-01-01

Dynamic mechanical analysis (DMA) is a common way to measure the mechanical properties of materials as functions of frequency. Traditionally, a viscoelastic mechanical model is applied and current DMA techniques fit an analytical approximation to measured dynamic motion data by neglecting inertial forces and adding empirical correction factors to account for transverse boundary displacements. Here, a finite element (FE) approach to processing DMA data was developed to estimate poroelastic material properties. Frequency-dependent inertial forces, which are significant in soft media and often neglected in DMA, were included in the FE model. The technique applies a constitutive relation to the DMA measurements and exploits a non-linear inversion to estimate the material properties in the model that best fit the model response to the DMA data. A viscoelastic version of this approach was developed to validate the approach by comparing complex modulus estimates to the direct DMA results. Both analytical and FE poroelastic models were also developed to explore their behavior in the DMA testing environment. All of the models were applied to tofu as a representative soft poroelastic material that is a common phantom in elastography imaging studies. Five samples of three different stiffnesses were tested from 1 – 14 Hz with rough platens placed on the top and bottom surfaces of the material specimen under test to restrict transverse displacements and promote fluid-solid interaction. The viscoelastic models were identical in the static case, and nearly the same at frequency with inertial forces accounting for some of the discrepancy. The poroelastic analytical method was not sufficient when the relevant physical boundary constraints were applied, whereas the poroelastic FE approach produced high quality estimates of shear modulus and hydraulic conductivity. These results illustrated appropriate shear modulus contrast between tofu samples and yielded a consistent contrast in hydraulic conductivity as well. PMID:25248170
Interpreting equilibrium-conductivity and conductivity-relaxation measurements to establish thermodynamic and transport properties for multiple charged defect conducting ceramics.

PubMed

Zhu, Huayang; Ricote, Sandrine; Coors, W Grover; Kee, Robert J

2015-01-01

A model-based interpretation of measured equilibrium conductivity and conductivity relaxation is developed to establish thermodynamic, transport, and kinetics parameters for multiple charged defect conducting (MCDC) ceramic materials. The present study focuses on 10% yttrium-doped barium zirconate (BZY10). In principle, using the Nernst-Einstein relationship, equilibrium conductivity measurements are sufficient to establish thermodynamic and transport properties. However, in practice it is difficult to establish unique sets of properties using equilibrium conductivity alone. Combining equilibrium and conductivity-relaxation measurements serves to significantly improve the quantitative fidelity of the derived material properties. The models are developed using a Nernst-Planck-Poisson (NPP) formulation, which enables the quantitative representation of conductivity relaxations caused by very large changes in oxygen partial pressure.
Using of material-technological modelling for designing production of closed die forgings

NASA Astrophysics Data System (ADS)

Ibrahim, K.; Vorel, I.; Jeníček, Š.; Káňa, J.; Aišman, D.; Kotěšovec, V.

2017-02-01

Production of forgings is a complex and demanding process which consists of a number of forging operations and, in many cases, includes post-forge heat treatment. An optimized manufacturing line is a prerequisite for obtaining prime-quality products which in turn are essential to profitable operation of a forging company. Problems may, however, arise from modifications to the manufacturing route due to changing customer needs. As a result, the production may have to be suspended temporarily to enable changeover and optimization. Using material-technological modelling, the required modifications can be tested and optimized under laboratory conditions outside the plant without disrupting the production. Thanks to material-technological modelling, the process parameters can be varied rapidly in response to changes in market requirements. Outcomes of the modelling runs include optimum parameters for the forging part’s manufacturing route, values of mechanical properties, and results of microstructure analysis. This article describes the use of material-technological modelling for exploring the impact of the amount of deformation and the rate of cooling of a particular forged part from the finish-forging temperature on its microstructure and related mechanical properties.

Dielectric Characteristics of Microstructural Changes and Property Evolution in Engineered Materials

NASA Astrophysics Data System (ADS)

Clifford, Jallisa Janet

Heterogeneous materials are increasingly used in a wide range of applications such as aerospace, civil infrastructure, fuel cells and many others. The ability to take properties from two or more materials to create a material with properties engineered to needs is always very attractive. Hence heterogeneous materials are evolving into more complex formulations in multiple disciplines. Design of microstructure at multiple scales control the global functional properties of these materials and their structures. However, local microstructural changes do not directly cause a proportional change to the global properties (such as strength and stiffness). Instead, local changes follow an evolution process including significant interactions. Therefore, in order to understand property evolution of engineered materials, microstructural changes need to be effectively captured. Characterizing these changes and representing them by material variables will enable us to further improve our material level understanding. In this work, we will demonstrate how microstructural features of heterogeneous materials can be described quantitatively using broadband dielectric spectroscopy (BbDS). The frequency dependent dielectric properties can capture the change in material microstructure and represent these changes in terms of material variables, such as complex permittivity. These changes in terms of material properties can then be linked to a number of different conditions, such as increasing damage due to impact or fatigue. Two different broadband dielectric spectroscopy scanning modes are presented: bulk measurements and continuous scanning to measure dielectric property change as a function of position across the specimen. In this study, we will focus on ceramic materials and fiber reinforced polymer matrix composites as test bed material systems. In the first part of the thesis, we will present how different micro-structural design of porous ceramic materials can be captured quantitatively using BbDS. These materials are typically used in solid oxide fuel cells (SOFC). Results show significant effect of microstructural design on material properties at multiple temperatures (up to 800 °C). In the later part of the thesis, we will focus on microstructural changes of fiber reinforced composite materials due to impact and static loading. The changes in dielectric response can then be linked to the bulk mechanical properties of the material and various damage modes. Observing trends in dielectric response enables us to further determine local mechanisms and distribution of properties throughout the damaged specimens. A 3D X-ray microscope and a digital microscope have been used to visualize these changes in material microstructure and validate experimental observations. The increase in damage observed in the material microstructure can then also be linked to the changes in dielectric response. Results show that BbDS is an extremely useful tool for identifying microstructural changes within a heterogeneous material and particularly useful in relating remaining properties. Dielectric material variables can be used directly in property degradation laws and help develop a framework for future predictive modeling methodologies.
Multi-scale modelling of rubber-like materials and soft tissues: an appraisal

PubMed Central

Puglisi, G.

2016-01-01

We survey, in a partial way, multi-scale approaches for the modelling of rubber-like and soft tissues and compare them with classical macroscopic phenomenological models. Our aim is to show how it is possible to obtain practical mathematical models for the mechanical behaviour of these materials incorporating mesoscopic (network scale) information. Multi-scale approaches are crucial for the theoretical comprehension and prediction of the complex mechanical response of these materials. Moreover, such models are fundamental in the perspective of the design, through manipulation at the micro- and nano-scales, of new polymeric and bioinspired materials with exceptional macroscopic properties. PMID:27118927
Better Modeling of Electrostatic Discharge in an Insulator

NASA Technical Reports Server (NTRS)

Pekov, Mihail

2010-01-01

An improved mathematical model has been developed of the time dependence of buildup or decay of electric charge in a high-resistivity (nominally insulating) material. The model is intended primarily for use in extracting the DC electrical resistivity of such a material from voltage -vs.- current measurements performed repeatedly on a sample of the material over a time comparable to the longest characteristic times (typically of the order of months) that govern the evolution of relevant properties of the material. This model is an alternative to a prior simplistic macroscopic model that yields results differing from the results of the time-dependent measurements by two to three orders of magnitude.
The Usability of Rock-Like Materials for Numerical Studies on Rocks

NASA Astrophysics Data System (ADS)

Zengin, Enes; Abiddin Erguler, Zeynal

2017-04-01

The approaches of synthetic rock material and mass are widely used by many researchers for understanding the failure behavior of different rocks. In order to model the failure behavior of rock material, researchers take advantageous of different techniques and software. But, the majority of all these instruments are based on distinct element method (DEM). For modeling the failure behavior of rocks, and so to create a fundamental synthetic rock material model, it is required to perform related laboratory experiments for providing strength parameters. In modelling studies, model calibration processes are performed by using parameters of intact rocks such as porosity, grain size, modulus of elasticity and Poisson ratio. In some cases, it can be difficult or even impossible to acquire representative rock samples for laboratory experiments from heavily jointed rock masses and vuggy rocks. Considering this limitation, in this study, it was aimed to investigate the applicability of rock-like material (e.g. concrete) to understand and model the failure behavior of rock materials having complex inherent structures. For this purpose, concrete samples having a mixture of %65 cement dust and %35 water were utilized. Accordingly, intact concrete samples representing rocks were prepared in laboratory conditions and their physical properties such as porosity, pore size and density etc. were determined. In addition, to acquire the mechanical parameters of concrete samples, uniaxial compressive strength (UCS) tests were also performed by simultaneously measuring strain during testing. The measured physical and mechanical properties of these extracted concrete samples were used to create synthetic material and then uniaxial compressive tests were modeled and performed by using two dimensional discontinuum program known as Particle Flow Code (PFC2D). After modeling studies in PFC2D, approximately similar failure mechanism and testing results were achieved from both experimental and artificial simulations. The results obtained from these laboratory tests and modelling studies were compared with the other researcher's studies in respect to failure mechanism of different type of rocks. It can be concluded that there is similar failure mechanism between concrete and rock materials. Therefore, the results obtained from concrete samples that would be prepared at different porosity and pore sizes can be used in future studies in selection micro-mechanical and physical properties to constitute synthetic rock materials for understanding failure mechanism of rocks having complex inherent structures such as vuggy rocks or heavily jointed rock masses.
High Temperature Composites: Properties, Processing and Performance

DTIC Science & Technology

1998-05-21

of Titanium Matrix Composite: Models and Mechanisms Schroedter, Robert D. M.S. Mesoscale Damage Modeling of the Laminated Carbon Fiber- Polyimide...materials are between 800 and 1000 °C. Therefor, understanding the effects of high temperature aging on the mechanical properties is essential. Fig...will grow. Our approach was to isolate the effect of each sintering phenomena in order to understand how they related to mechanical properties
Combustion Device Failures During Space Shuttle Main Engine Development

NASA Technical Reports Server (NTRS)

Goetz, Otto K.; Monk, Jan C.

2005-01-01

Major Causes: Limited Initial Materials Properties. Limited Structural Models - especially fatigue. Limited Thermal Models. Limited Aerodynamic Models. Human Errors. Limited Component Test. High Pressure. Complicated Control.
Modeling the microstructure of surface by applying BRDF function

NASA Astrophysics Data System (ADS)

Plachta, Kamil

2017-06-01

The paper presents the modeling of surface microstructure using a bidirectional reflectance distribution function. This function contains full information about the reflectance properties of the flat surfaces - it is possible to determine the share of the specular, directional and diffuse components in the reflected luminous stream. The software is based on the authorial algorithm that uses selected elements of this function models, which allows to determine the share of each component. Basing on obtained data, the surface microstructure of each material can be modeled, which allows to determine the properties of this materials. The concentrator directs the reflected solar radiation onto the photovoltaic surface, increasing, at the same time, the value of the incident luminous stream. The paper presents an analysis of selected materials that can be used to construct the solar concentrator system. The use of concentrator increases the power output of the photovoltaic system by up to 17% as compared to the standard solution.
Evaluation and prediction of long-term environmental effects on nonmetallic materials

NASA Technical Reports Server (NTRS)

1982-01-01

Changes in functional properties of a broad spectrum of nonmetallic materials as a function of environment and exposure time were evaluated. Models for predicting long-term material performance are discussed. A literature search on specific materials in the space and simulated space environment was carried out and evaluated.
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.
Excitons in scintillator materials: Optical properties and electron-energy loss spectra of NaI, LaBr 3, BaI 2, and SrI 2

DOE PAGES

Schleife, Andre; Zhang, Xiao; Li, Qi; ...

2016-11-03

In this paper, materials for scintillator radiation detectors need to fulfill a diverse set of requirements such as radiation hardness and highly specific response to incoming radiation, rendering them a target of current materials design efforts. Even though they are amenable to cutting-edge theoretical spectroscopy techniques, surprisingly many fundamental properties of scintillator materials are still unknown or not well explored. In this work, we use first-principles approaches to thoroughly study the optical properties of four scintillator materials: NaI, LaBr 3, BaI 2, and SrI 2. By solving the Bethe–Salpeter equation for the optical polarization function we study the influence ofmore » excitonic effects on dielectric and electron-energy loss functions. This work sheds light into fundamental optical properties of these four scintillator materials and lays the ground-work for future work that is geared toward accurate modeling and computational materials design of advanced radiation detectors with unprecedented energy resolution.« less
Finite Element Models and Properties of a Stiffened Floor-Equipped Composite Cylinder

NASA Technical Reports Server (NTRS)

Grosveld, Ferdinand W.; Schiller, Noah H.; Cabell, Randolph H.

2010-01-01

Finite element models were developed of a floor-equipped, frame and stringer stiffened composite cylinder including a coarse finite element model of the structural components, a coarse finite element model of the acoustic cavities above and below the beam-supported plywood floor, and two dense models consisting of only the structural components. The report summarizes the geometry, the element properties, the material and mechanical properties, the beam cross-section characteristics, the beam element representations and the boundary conditions of the composite cylinder models. The expressions used to calculate the group speeds for the cylinder components are presented.
Material model measurements and predictions for a random pore poly(epsilon-caprolactone) scaffold.

PubMed

Quinn, T P; Oreskovic, T L; Landis, F A; Washburn, N R

2007-07-01

We investigated material models for a polymeric scaffold used for bone. The material was made by co-extruding poly(epsilon-caprolactone) (PCL), a biodegradable polyester, and poly(ethylene oxide) (PEO). The water soluble PEO was removed resulting in a porous scaffold. The stress-strain curve in compression was fit with a phenomenological model in hyperbolic form. This material model will be useful for designers for quasi-static analysis as it provides a simple form that can easily be used in finite element models. The ASTM D-1621 standard recommends using a secant modulus based on 10% strain. The resulting modulus has a smaller scatter in its value compared with the coefficients of the hyperbolic model, and it is therefore easier to compare differences in material processing and ensure quality of the scaffold. A prediction of the small-strain elastic modulus was constructed from images of the microstructure. Each pixel of the micrographs was represented with a brick finite element and assigned the Young's modulus of bulk PCL or a value of 0 for a pore. A compressive strain was imposed on the model and the resulting stresses were calculated. The elastic constants of the scaffold were then computed with Hooke's law for a linear-elastic isotropic material. The model was able to predict the small-strain elastic modulus measured in the experiments to within one standard deviation. Thus, by knowing the microstructure of the scaffold, its bulk properties can be predicted from the material properties of the constituents. Copyright 2006 Wiley Periodicals, Inc.
Formulation and validation of a reduced order model of 2D materials exhibiting a two-phase microstructure as applied to graphene oxide

NASA Astrophysics Data System (ADS)

Benedetti, Ivano; Nguyen, Hoang; Soler-Crespo, Rafael A.; Gao, Wei; Mao, Lily; Ghasemi, Arman; Wen, Jianguo; Nguyen, SonBinh; Espinosa, Horacio D.

2018-03-01

Novel 2D materials, e.g., graphene oxide (GO), are attractive building blocks in the design of advanced materials due to their reactive chemistry, which can enhance interfacial interactions while providing good in-plane mechanical properties. Recent studies have hypothesized that the randomly distributed two-phase microstructure of GO, which arises due to its oxidized chemistry, leads to differences in nano- vs meso-scale mechanical responses. However, this effect has not been carefully studied using molecular dynamics due to computational limitations. Herein, a continuum mechanics model, formulated based on density functional based tight binding (DFTB) constitutive results for GO nano-flakes, is establish for capturing the effect of oxidation patterns on the material mechanical properties. GO is idealized as a continuum heterogeneous two-phase material, where the mechanical response of each phase, graphitic and oxidized, is informed from DFTB simulations. A finite element implementation of the model is validated via MD simulations and then used to investigate the existence of GO representative volume elements (RVE). We find that for the studied GO, an RVE behavior arises for monolayer sizes in excess to 40 nm. Moreover, we reveal that the response of monolayers with two main different functional chemistries, epoxide-rich and hydroxyl-rich, present distinct differences in mechanical behavior. In addition, we explored the role of defect density in GO, and validate the applicability of the model to larger length scales by predicting membrane deflection behavior, in close agreement with previous experimental and theoretical observations. As such the work presents a reduced order modeling framework applicable in the study of mechanical properties and deformation mechanisms in 2D multiphase materials.
Biologically inspired crack delocalization in a high strain-rate environment.

PubMed

Knipprath, Christian; Bond, Ian P; Trask, Richard S

2012-04-07

Biological materials possess unique and desirable energy-absorbing mechanisms and structural characteristics worthy of consideration by engineers. For example, high levels of energy dissipation at low strain rates via triggering of crack delocalization combined with interfacial hardening by platelet interlocking are observed in brittle materials such as nacre, the iridescent material in seashells. Such behaviours find no analogy in current engineering materials. The potential to mimic such toughening mechanisms on different length scales now exists, but the question concerning their suitability under dynamic loading conditions and whether these mechanisms retain their energy-absorbing potential is unclear. This paper investigates the kinematic behaviour of an 'engineered' nacre-like structure within a high strain-rate environment. A finite-element (FE) model was developed which incorporates the pertinent biological design features. A parametric study was carried out focusing on (i) the use of an overlapping discontinuous tile arrangement for crack delocalization and (ii) application of tile waviness (interfacial hardening) for improved post-damage behaviour. With respect to the material properties, the model allows the permutation and combination of a variety of different material datasets. The advantage of such a discontinuous material shows notable improvements in sustaining high strain-rate deformation relative to an equivalent continuous morphology. In the case of the continuous material, the shockwaves propagating through the material lead to localized failure while complex shockwave patterns are observed in the discontinuous flat tile arrangement, arising from platelet interlocking. The influence of the matrix properties on impact performance is investigated by varying the dominant material parameters. The results indicate a deceleration of the impactor velocity, thus delaying back face nodal displacement. A final series of FE models considered the identification of an optimized configuration as a function of tile waviness and matrix properties. In the combined model, the optimized configuration was capable of stopping the ballistic threat, thus indicating the potential for bioinspired toughened synthetic systems to defeat high strain-rate threats.
Biologically inspired crack delocalization in a high strain-rate environment

PubMed Central

Knipprath, Christian; Bond, Ian P.; Trask, Richard S.

2012-01-01

Biological materials possess unique and desirable energy-absorbing mechanisms and structural characteristics worthy of consideration by engineers. For example, high levels of energy dissipation at low strain rates via triggering of crack delocalization combined with interfacial hardening by platelet interlocking are observed in brittle materials such as nacre, the iridescent material in seashells. Such behaviours find no analogy in current engineering materials. The potential to mimic such toughening mechanisms on different length scales now exists, but the question concerning their suitability under dynamic loading conditions and whether these mechanisms retain their energy-absorbing potential is unclear. This paper investigates the kinematic behaviour of an ‘engineered’ nacre-like structure within a high strain-rate environment. A finite-element (FE) model was developed which incorporates the pertinent biological design features. A parametric study was carried out focusing on (i) the use of an overlapping discontinuous tile arrangement for crack delocalization and (ii) application of tile waviness (interfacial hardening) for improved post-damage behaviour. With respect to the material properties, the model allows the permutation and combination of a variety of different material datasets. The advantage of such a discontinuous material shows notable improvements in sustaining high strain-rate deformation relative to an equivalent continuous morphology. In the case of the continuous material, the shockwaves propagating through the material lead to localized failure while complex shockwave patterns are observed in the discontinuous flat tile arrangement, arising from platelet interlocking. The influence of the matrix properties on impact performance is investigated by varying the dominant material parameters. The results indicate a deceleration of the impactor velocity, thus delaying back face nodal displacement. A final series of FE models considered the identification of an optimized configuration as a function of tile waviness and matrix properties. In the combined model, the optimized configuration was capable of stopping the ballistic threat, thus indicating the potential for bioinspired toughened synthetic systems to defeat high strain-rate threats. PMID:21880614
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.
Finite element analyses of two dimensional, anisotropic heat transfer in wood

Treesearch

John F. Hunt; Hongmei Gu

2004-01-01

The anisotropy of wood creates a complex problem for solving heat and mass transfer problems that require analyses be based on fundamental material properties of the wood structure. Inputting basic orthogonal properties of the wood material alone are not sufficient for accurate modeling because wood is a combination of porous fiber cells that are aligned and mis-...
Models for integrated and differential scattering optical properties of encapsulated light absorbing carbon aggregates.

PubMed

Kahnert, Michael; Nousiainen, Timo; Lindqvist, Hannakaisa

2013-04-08

Optical properties of light absorbing carbon (LAC) aggregates encapsulated in a shell of sulfate are computed for realistic model geometries based on field measurements. Computations are performed for wavelengths from the UV-C to the mid-IR. Both climate- and remote sensing-relevant optical properties are considered. The results are compared to commonly used simplified model geometries, none of which gives a realistic representation of the distribution of the LAC mass within the host material and, as a consequence, fail to predict the optical properties accurately. A new core-gray shell model is introduced, which accurately reproduces the size- and wavelength dependence of the integrated and differential optical properties.
Versatile Micromechanics Model for Multiscale Analysis of Composite Structures

NASA Astrophysics Data System (ADS)

Kwon, Y. W.; Park, M. S.

2013-08-01

A general-purpose micromechanics model was developed so that the model could be applied to various composite materials such as reinforced by particles, long fibers and short fibers as well as those containing micro voids. Additionally, the model can be used with hierarchical composite materials. The micromechanics model can be used to compute effective material properties like elastic moduli, shear moduli, Poisson's ratios, and coefficients of thermal expansion for the various composite materials. The model can also calculate the strains and stresses at the constituent material level such as fibers, particles, and whiskers from the composite level stresses and strains. The model was implemented into ABAQUS using the UMAT option for multiscale analysis. An extensive set of examples are presented to demonstrate the reliability and accuracy of the developed micromechanics model for different kinds of composite materials. Another set of examples is provided to study the multiscale analysis of composite structures.
Multiscale and Multiphysics Modeling of Additive Manufacturing of Advanced Materials

NASA Technical Reports Server (NTRS)

Liou, Frank; Newkirk, Joseph; Fan, Zhiqiang; Sparks, Todd; Chen, Xueyang; Fletcher, Kenneth; Zhang, Jingwei; Zhang, Yunlu; Kumar, Kannan Suresh; Karnati, Sreekar

2015-01-01

The objective of this proposed project is to research and develop a prediction tool for advanced additive manufacturing (AAM) processes for advanced materials and develop experimental methods to provide fundamental properties and establish validation data. Aircraft structures and engines demand materials that are stronger, useable at much higher temperatures, provide less acoustic transmission, and enable more aeroelastic tailoring than those currently used. Significant improvements in properties can only be achieved by processing the materials under nonequilibrium conditions, such as AAM processes. AAM processes encompass a class of processes that use a focused heat source to create a melt pool on a substrate. Examples include Electron Beam Freeform Fabrication and Direct Metal Deposition. These types of additive processes enable fabrication of parts directly from CAD drawings. To achieve the desired material properties and geometries of the final structure, assessing the impact of process parameters and predicting optimized conditions with numerical modeling as an effective prediction tool is necessary. The targets for the processing are multiple and at different spatial scales, and the physical phenomena associated occur in multiphysics and multiscale. In this project, the research work has been developed to model AAM processes in a multiscale and multiphysics approach. A macroscale model was developed to investigate the residual stresses and distortion in AAM processes. A sequentially coupled, thermomechanical, finite element model was developed and validated experimentally. The results showed the temperature distribution, residual stress, and deformation within the formed deposits and substrates. A mesoscale model was developed to include heat transfer, phase change with mushy zone, incompressible free surface flow, solute redistribution, and surface tension. Because of excessive computing time needed, a parallel computing approach was also tested. In addition, after investigating various methods, a Smoothed Particle Hydrodynamics Model (SPH Model) was developed to model wire feeding process. Its computational efficiency and simple architecture makes it more robust and flexible than other models. More research on material properties may be needed to realistically model the AAM processes. A microscale model was developed to investigate heterogeneous nucleation, dendritic grain growth, epitaxial growth of columnar grains, columnar-to-equiaxed transition, grain transport in melt, and other properties. The orientations of the columnar grains were almost perpendicular to the laser motion's direction. Compared to the similar studies in the literature, the multiple grain morphology modeling result is in the same order of magnitude as optical morphologies in the experiment. Experimental work was conducted to validate different models. An infrared camera was incorporated as a process monitoring and validating tool to identify the solidus and mushy zones during deposition. The images were successfully processed to identify these regions. This research project has investigated multiscale and multiphysics of the complex AAM processes thus leading to advanced understanding of these processes. The project has also developed several modeling tools and experimental validation tools that will be very critical in the future of AAM process qualification and certification.

Towards quantitative quasi-static elastography with a gravity-induced deformation source

NASA Astrophysics Data System (ADS)

Griesenauer, Rebekah H.; Weis, Jared A.; Arlinghaus, Lori R.; Meszoely, Ingrid M.; Miga, Michael I.

2017-03-01

Biomechanical breast models have been employed for applications in image registration and analysis, breast augmentation simulation, and for surgical and biopsy guidance. Accurate applications of stress-strain relationships of tissue within the breast can improve the accuracy of biomechanical models that attempt to simulate breast movements. Reported stiffness values for adipose, glandular, and cancerous tissue types vary greatly. Variations in reported stiffness properties are mainly due to differences in testing methodologies and assumptions, measurement errors, and natural inter patient differences in tissue elasticity. Therefore, patient specific, in vivo determination of breast tissue properties is ideal for these procedural applications. Many in vivo elastography methods are not quantitative and/or do not measure material properties under deformation conditions that are representative of the procedure being simulated in the model. In this study, we developed an elasticity estimation method that is performed using deformations representative of supine therapeutic procedures. Reconstruction of material properties was performed by iteratively fitting two anatomical images before and after tissue stimulation. The method proposed is work flow friendly, quantitative, and uses a non-contact, gravity-induced deformation source. We tested this material property optimization procedure in a healthy volunteer and in simulation. In simulation, we show that the algorithm can reconstruct properties with errors below 1% for adipose and 5.6% for glandular tissue regardless of the starting stiffness values used as initial guesses. In clinical data, reconstruction errors are higher (3.6% and 24.2%) due to increased noise in the system. In a clinical context, the elastography method was shown to be promising for use in biomechanical model assisted supine procedures.
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...
Application of materials database (MAT.DB.) to materials education

NASA Technical Reports Server (NTRS)

Liu, Ping; Waskom, Tommy L.

1994-01-01

Finding the right material for the job is an important aspect of engineering. Sometimes the choice is as fundamental as selecting between steel and aluminum. Other times, the choice may be between different compositions in an alloy. Discovering and compiling materials data is a demanding task, but it leads to accurate models for analysis and successful materials application. Mat. DB. is a database management system designed for maintaining information on the properties and processing of engineered materials, including metals, plastics, composites, and ceramics. It was developed by the Center for Materials Data of American Society for Metals (ASM) International. The ASM Center for Materials Data collects and reviews material property data for publication in books, reports, and electronic database. Mat. DB was developed to aid the data management and material applications.
Tunable dynamic response of magnetic gels: Impact of structural properties and magnetic fields

NASA Astrophysics Data System (ADS)

Tarama, Mitsusuke; Cremer, Peet; Borin, Dmitry Y.; Odenbach, Stefan; Löwen, Hartmut; Menzel, Andreas M.

2014-10-01

Ferrogels and magnetic elastomers feature mechanical properties that can be reversibly tuned from outside through magnetic fields. Here we concentrate on the question of how their dynamic response can be adjusted. The influence of three factors on the dynamic behavior is demonstrated using appropriate minimal models: first, the orientational memory imprinted into one class of the materials during their synthesis; second, the structural arrangement of the magnetic particles in the materials; and third, the strength of an external magnetic field. To illustrate the latter point, structural data are extracted from a real experimental sample and analyzed. Understanding how internal structural properties and external influences impact the dominant dynamical properties helps to design materials that optimize the requested behavior.
Dependence of equivalent thermal conductivity coefficients of single-wall carbon nanotubes on their chirality

NASA Astrophysics Data System (ADS)

Zarubin, V. S.; Sergeeva, E. S.

2018-04-01

Composite materials (composites) composed of a matrix and reinforcing components are currently widely used as structural materials for various engineering devices designed to operate under extreme thermal and mechanical loads. By modifying a composite with structure-sensitive inclusions such as single-wall carbon nanotubes, one can significantly improve the thermomechanical properties of the resulting material. The paper presents relationships obtained for the equivalent thermal conductivity coefficients of single-wall carbon nanotubes versus their chirality using a simulation model developed to simulate the heat transfer process through thermal conductivity in a transversely isotropic environment. With these coefficients, one can conventionally substitute a single-wall carbon nanotube with a continuous anisotropic fiber, thus allowing one to estimate the thermal properties of composites reinforced with objects of this sort by using the well-known models developed for fibered composites. The results presented here can be used to estimate the thermal properties of carbon nanotube-reinforced composites.
An integrated computational tool for precipitation simulation

NASA Astrophysics Data System (ADS)

Cao, W.; Zhang, F.; Chen, S.-L.; Zhang, C.; Chang, Y. A.

2011-07-01

Computer aided materials design is of increasing interest because the conventional approach solely relying on experimentation is no longer viable within the constraint of available resources. Modeling of microstructure and mechanical properties during precipitation plays a critical role in understanding the behavior of materials and thus accelerating the development of materials. Nevertheless, an integrated computational tool coupling reliable thermodynamic calculation, kinetic simulation, and property prediction of multi-component systems for industrial applications is rarely available. In this regard, we are developing a software package, PanPrecipitation, under the framework of integrated computational materials engineering to simulate precipitation kinetics. It is seamlessly integrated with the thermodynamic calculation engine, PanEngine, to obtain accurate thermodynamic properties and atomic mobility data necessary for precipitation simulation.
A design handbook for phase change thermal control and energy storage devices. [selected paraffins

NASA Technical Reports Server (NTRS)

Humphries, W. R.; Griggs, E. I.

1977-01-01

Comprehensive survey is given of the thermal aspects of phase change material devices. Fundamental mechanisms of heat transfer within the phase change device are discussed. Performance in zero-g and one-g fields are examined as it relates to such a device. Computer models for phase change materials, with metal fillers, undergoing conductive and convective processes are detailed. Using these models, extensive parametric data are presented for a hypothetical configuration with a rectangular phase change housing, using straight fins as the filler, and paraffin as the phase change material. These data are generated over a range of realistic sizes, material properties, and thermal boundary conditions. A number of illustrative examples are given to demonstrate use of the parametric data. Also, a complete listing of phase change material property data are reproduced herein as an aid to the reader.
The influence of API concentration on the roller compaction process: modeling and prediction of the post compacted ribbon, granule and tablet properties using multivariate data analysis.

PubMed

Boersen, Nathan; Carvajal, M Teresa; Morris, Kenneth R; Peck, Garnet E; Pinal, Rodolfo

2015-01-01

While previous research has demonstrated roller compaction operating parameters strongly influence the properties of the final product, a greater emphasis might be placed on the raw material attributes of the formulation. There were two main objectives to this study. First, to assess the effects of different process variables on the properties of the obtained ribbons and downstream granules produced from the rolled compacted ribbons. Second, was to establish if models obtained with formulations of one active pharmaceutical ingredient (API) could predict the properties of similar formulations in terms of the excipients used, but with a different API. Tolmetin and acetaminophen, chosen for their different compaction properties, were roller compacted on Fitzpatrick roller compactor using the same formulation. Models created using tolmetin and tested using acetaminophen. The physical properties of the blends, ribbon, granule and tablet were characterized. Multivariate analysis using partial least squares was used to analyze all data. Multivariate models showed that the operating parameters and raw material attributes were essential in the prediction of ribbon porosity and post-milled particle size. The post compacted ribbon and granule attributes also significantly contributed to the prediction of the tablet tensile strength. Models derived using tolmetin could reasonably predict the ribbon porosity of a second API. After further processing, the post-milled ribbon and granules properties, rather than the physical attributes of the formulation were needed to predict downstream tablet properties. An understanding of the percolation threshold of the formulation significantly improved the predictive ability of the models.
Lunar soil properties and soil mechanics

NASA Technical Reports Server (NTRS)

Mitchell, J. K.; Houston, W. N.

1974-01-01

The long-range objectives were to develop methods of experimentation and analysis for the determination of the physical properties and engineering behavior of lunar surface materials under in situ environmental conditions. Data for this purpose were obtained from on-site manned investigations, orbiting and softlanded spacecraft, and terrestrial simulation studies. Knowledge of lunar surface material properties are reported for the development of models for several types of lunar studies and for the investigation of lunar processes. The results have direct engineering application for manned missions to the moon.
Characterization of the surface properties of epoxy-type models used for multiphase flow studies in fractured media and creation of a new model

NASA Astrophysics Data System (ADS)

Bergslien, Elisa; Fountain, John; Giese, Rossman

2004-05-01

Epoxy models have been used as analogs for fractured rock surfaces in many laboratory investigations of multiphase flow processes. However, there is no agreement on how well or poorly such an analog replicates the surface chemistry of geologic materials, nor is there a satisfactory analysis of the surface properties of epoxy. This paper addresses the issue of accurately characterizing the surface chemistry of a typical epoxy used in laboratory multiphase flow studies and comparing that surface to a polystyrene surface and a radio frequency glow discharge treated polystyrene surface. Surface properties were determined using direct contact angle measurements of polar and apolar liquids on flat test samples. The epoxy was determined to have surface properties as follows: γ = 62.3, γLW = 39, γAB = 23.3, γ⊕ = 0, and γ? = 23.3 mJ/m2, where γ is the total surface tension of the solid, γLW is the Lifshitz-van der Waals (LW) surface tension component, γAB is the Lewis acid base (AB) surface tension component, γ? is the electron-donor (negative) parameter, and γ⊕ is the electron-acceptor (positive) parameter. Values of γ? < 27.9 mJ/m2 indicate a hydrophobic surface, which means that epoxy is not a good analog for most geologic materials. This study also explores the use of radio frequency glow discharge plasma to add hydroxyl functionality to polymer surfaces producing a material with alterable surface properties and the same optical and casting properties as epoxy. Using this method, the degree of alteration of the surface chemistry of polymer fracture models can be controlled, allowing the creation of models with a variety of different wettabilities. The resultant models were found to be durable, long lasting, and a potentially very useful alternative to the more typical epoxy models.
Rapid laboratory investigation of the thermal properties of planetary analogues by using the EXTASE thermal probe.

NASA Astrophysics Data System (ADS)

Nadalini, R.; Extase Team

The thermal properties of the constituent materials of the upper meters of planets and planetary bodies are of extreme interest. During the design and the verification of various planetary missions, the need to model and test appropriate simulants in laboratory is often raised. To verify the thermal properties of deployed laboratory simulants, the EXTASE thermal probe is a fast, precise, and easy-to-use tool. EXTASE is a thermal profile probe, able to measure the temperature and inject heat into the selected material at 16 different locations along its 45cm long slender cylindrical body. It has been developed following the experience of MUPUS, with the purpose of observing such properties on Earth, in situ and in a short time. We have used EXTASE, under laboratory cold and standard conditions, on several sand mixtures, soils, granular and compact ices, under vacuum and at normal pressure levels, to collect a great number of time- and depth-dependent temperature curves that represent the thermal dynamical response of the material. At the same time, two independent models have been developed to verify the experimental results by reaching the same results with a simulation of the same process. The models, analytical and numerical, which account for all material parameters (conductivity, density, capacity), have been developed and fine tuned until their results are superposed to the experimental curves, thus allowing the determination of the distinct thermal properties. In addition, a test campaign is under planning to use EXTASE to determine, rapidly and efficiently, the thermal properties of various regolith simulants to be used in the simulation of planetary subsurface processes.
Electro-Magnetic Actuated Valve for MEMS Fuel Metering System

DTIC Science & Technology

2007-09-01

This model is utilized material properties of Silicon (Si), Copper (Cu), Nickel Iron ( NiFe ), and air. C11 Air NiSe Figure 5. Design of a simplified a... NiFe are defined and shown table 4. It is assumed that the properties of materials are independent of orientation (i.e. isotropic materials). Relative...dry filn resist. This process enables an integrated NiFe armature with a hole-in-the-wall within the main flow channel. UC Berkeley, Pisano - 2007
Development of constitutive model for composites exhibiting time dependent properties

NASA Astrophysics Data System (ADS)

Pupure, L.; Joffe, R.; Varna, J.; Nyström, B.

2013-12-01

Regenerated cellulose fibres and their composites exhibit highly nonlinear behaviour. The mechanical response of these materials can be successfully described by the model developed by Schapery for time-dependent materials. However, this model requires input parameters that are experimentally determined via large number of time-consuming tests on the studied composite material. If, for example, the volume fraction of fibres is changed we have a different material and new series of experiments on this new material are required. Therefore the ultimate objective of our studies is to develop model which determines the composite behaviour based on behaviour of constituents of the composite. This paper gives an overview of problems and difficulties, associated with development, implementation and verification of such model.
Modeling the mechanical properties of ultra-thin polymer films [Structural modeling of films of atomic scale thickness

DOE PAGES

Espinosa-Loza, Francisco; Stadermann, Michael; Aracne-Ruddle, Chantel; ...

2017-11-16

A modeling method to extract the mechanical properties of ultra-thin films (10–100 nm thick) from experimental data generated by indentation of freestanding circular films using a spherical indenter is presented. The relationship between the mechanical properties of the film and experimental parameters including load, and deflection are discussed in the context of a constitutive material model, test variables, and analytical approaches. As a result, elastic and plastic regimes are identified by comparison of finite element simulation and experimental data.
Modeling the mechanical properties of ultra-thin polymer films [Structural modeling of films of atomic scale thickness

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

Espinosa-Loza, Francisco; Stadermann, Michael; Aracne-Ruddle, Chantel

A modeling method to extract the mechanical properties of ultra-thin films (10–100 nm thick) from experimental data generated by indentation of freestanding circular films using a spherical indenter is presented. The relationship between the mechanical properties of the film and experimental parameters including load, and deflection are discussed in the context of a constitutive material model, test variables, and analytical approaches. As a result, elastic and plastic regimes are identified by comparison of finite element simulation and experimental data.
Application of the strain invariant failure theory (SIFT) to metals and fiber-polymer composites

NASA Astrophysics Data System (ADS)

Hart-Smith, L. J.

2010-11-01

The strain invariant failure theory (SIFT) model, developed to predict the onset of irreversible damage of fiber-polymer composite laminates, may be also applied to metals. Indeed, it can be applied to all solid materials. Two initial failure mechanisms are considered - distortion and dilatation. The author's experiences are confined to the structures of transport aircraft; phase changes in metals and self-destruction of laminates during curing are not covered. Doing so would need additional material properties, and probably a different failure theory. SIFT does not cover environmental attack on the interface between fibers and resin; it covers only cohesive failures within the fibers or resin, or within a homogeneous piece of metal. In the SIFT model, each damage mechanism is characterized by its own critical value of a strain invariant. Each mechanism dominates its own portion of the strain domain; there is no interaction between them. Application of SIFT to metals is explained first. Fiber-polymer composites contain two discrete constituents; each material must be characterized independently by its own two invariants. This is why fiber-polymer composites need four invariants whereas metals require only two. There is no such thing as a composite material, only composites of materials. The "composite materials" must not be modeled as homogeneous anisotropic solids because it is then not even possible to differentiate between fiber and matrix failures. The SIFT model uses measured material properties; it does not require that half of them be arbitrarily replaced by unmeasurable properties to fit laminate test data, as so many earlier composite failure criteria have. The biggest difference in using SIFT for metals and fiber-reinforced materials is internal residual thermal and moisture absorption stresses created by the gross dissimilarity in properties between embedded fibers and thermoset resin matrices. These residual stresses consume so much of the strength of unreinforced polymers for typical thermoset resins cured at high temperature, like epoxies, that little strength is available to resist mechanical loads. (Thermoplastic polymers suffer far less in this regard.) The paper explains how SIFT is used via worked examples, which demonstrate the kind of detailed information that SIFT analyses can generate.
Engineering Silicone Rubbers for In vitro Studies: Creating AAA Models and ILT Analogues with Physiological Properties

PubMed Central

Corbett, T.J.; Doyle, B.J.; Callanan, A.; Walsh, M.T.; McGloughlin, T.M

2010-01-01

Background In vitro studies of abdominal aortic aneurysm (AAA) have been widely reported. Frequently mock artery models with intraluminal thrombus (ILT) analogues are used to mimic the AAA in vivo. While the models used may be physiological, their properties are frequently either not reported or investigated. Method of Approach This study is concerned with the testing and characterisation of previously used vessel analogue materials and the development of new materials for the manufacture of AAA models. These materials were used in conjunction with a previously validated injection moulding technique to manufacture AAA models of ideal geometry. To determine the model properties (stiffness (β) and compliance) the diameter change of each AAA model was investigated under incrementally increasing internal pressures and compared to published in vivo studies to determine if the models behaved physiologically. A FEA study was implemented to determine if the pressure – diameter change behaviour of the models could be predicted numerically. ILT analogues were also manufactured and characterised. Ideal models were manufactured with ILT analogue internal to the aneurysm region and the effect of the ILT analogue on the model compliance and stiffness was investigated. Results The wall materials had similar properties to aortic tissue at physiological pressures (Einit 2.22MPa and 1.57MPa (aortic tissue: 1.8MPa)). ILT analogues had similar Young’s modulus to the medial layer of ILT (0.24 and 0.33MPa (ILT: 0.28MPa)). All models had aneurysm sac compliance in the physiological range (2.62 – 8.01×10-4/mmHg (AAA in vivo: 1.8 – 9.4×10-4/mmHg)). The necks of our AAA models had similar stiffness to healthy aortas (20.44 – 29.83 (healthy aortas in vivo: 17.5±5.5)). Good agreement was seen between the diameter changes due to pressurisation in the experimental and FEA wall models with a maximum error of 7.3% at 120mmHg. It was also determined that the inclusion of ILT analogue in the sac of our models could have an effect on the compliance of the model neck. Conclusions Ideal AAA models with physiological properties were manufactured. The behaviour of these models due to pressurisation was predicted using FEA, validating this technique for the future design of realistic, physiological AAA models. Addition of ILT analogues in the aneurysm sac was shown to affect neck behaviour. This could have implications for endovascular AAA repair due to the importance of the neck for stent-graft fixation. PMID:20524746
Scanning microwave microscopy technique for nanoscale characterization of magnetic materials

NASA Astrophysics Data System (ADS)

Joseph, C. H.; Sardi, G. M.; Tuca, S. S.; Gramse, G.; Lucibello, A.; Proietti, E.; Kienberger, F.; Marcelli, R.

2016-12-01

In this work, microwave characterization of magnetic materials using the scanning microwave microscopy (SMM) technique is presented. The capabilities of the SMM are employed for analyzing and imaging local magnetic properties of the materials under test at the nanoscale. The analyses are performed by acquiring both amplitude and phase of the reflected microwave signal. The changes in the reflection coefficient S11 are related to the local properties of the material under investigation, and the changes in its magnetic properties have been studied as a function of an external DC magnetic bias. Yttrium iron garnet (YIG) films deposited by RF sputtering and grown by liquid phase epitaxial (LPE) on gadolinium gallium garnet (GGG) substrates and permalloy samples have been characterized. An equivalent electromagnetic transmission line model is discussed for the quantitative analysis of the local magnetic properties. We also observed the hysteretic behavior of the reflection coefficient S11 with an external bias field. The imaging and spectroscopy analysis on the experimental results are evidently indicating the possibilities of measuring local changes in the intrinsic magnetic properties on the surface of the material.
Sediment fingerprinting experiments to test the sensitivity of multivariate mixing models

NASA Astrophysics Data System (ADS)

Gaspar, Leticia; Blake, Will; Smith, Hugh; Navas, Ana

2014-05-01

Sediment fingerprinting techniques provide insight into the dynamics of sediment transfer processes and support for catchment management decisions. As questions being asked of fingerprinting datasets become increasingly complex, validation of model output and sensitivity tests are increasingly important. This study adopts an experimental approach to explore the validity and sensitivity of mixing model outputs for materials with contrasting geochemical and particle size composition. The experiments reported here focused on (i) the sensitivity of model output to different fingerprint selection procedures and (ii) the influence of source material particle size distributions on model output. Five soils with significantly different geochemistry, soil organic matter and particle size distributions were selected as experimental source materials. A total of twelve sediment mixtures were prepared in the laboratory by combining different quantified proportions of the < 63 µm fraction of the five source soils i.e. assuming no fluvial sorting of the mixture. The geochemistry of all source and mixture samples (5 source soils and 12 mixed soils) were analysed using X-ray fluorescence (XRF). Tracer properties were selected from 18 elements for which mass concentrations were found to be significantly different between sources. Sets of fingerprint properties that discriminate target sources were selected using a range of different independent statistical approaches (e.g. Kruskal-Wallis test, Discriminant Function Analysis (DFA), Principal Component Analysis (PCA), or correlation matrix). Summary results for the use of the mixing model with the different sets of fingerprint properties for the twelve mixed soils were reasonably consistent with the initial mixing percentages initially known. Given the experimental nature of the work and dry mixing of materials, geochemical conservative behavior was assumed for all elements, even for those that might be disregarded in aquatic systems (e.g. P). In general, the best fits between actual and modeled proportions were found using a set of nine tracer properties (Sr, Rb, Fe, Ti, Ca, Al, P, Si, K, Si) that were derived using DFA coupled with a multivariate stepwise algorithm, with errors between real and estimated value that did not exceed 6.7 % and values of GOF above 94.5 %. The second set of experiments aimed to explore the sensitivity of model output to variability in the particle size of source materials assuming that a degree of fluvial sorting of the resulting mixture took place. Most particle size correction procedures assume grain size affects are consistent across sources and tracer properties which is not always the case. Consequently, the < 40 µm fraction of selected soil mixtures was analysed to simulate the effect of selective fluvial transport of finer particles and the results were compared to those for source materials. Preliminary findings from this experiment demonstrate the sensitivity of the numerical mixing model outputs to different particle size distributions of source material and the variable impact of fluvial sorting on end member signatures used in mixing models. The results suggest that particle size correction procedures require careful scrutiny in the context of variable source characteristics.
Development of gel materials with high transparency and mechanical strength for use with a 3D gel printer SWIM-ER

NASA Astrophysics Data System (ADS)

Tase, Taishi; Okada, Koji; Takamatsu, Kyuichiro; Saito, Azusa; Kawakami, Masaru; Furukawa, Hidemitsu

2016-04-01

Medical doctors use artificial blood vessels and organ models, which are usually made of plastic, to explain operations to students, or patients awaiting treatment. However, there are some problems such as the high cost of making the model and there is not a realistic feel because the model is hard. These problems can be solved using soft and wet material for instance gel. Gels are materials with unique properties such as transparency, biocompatibility, and low friction. In recent years, high strength gel has been developed and is expected to be applied in medical fields in the future. Artificial models of gel can be produced by 3D gel printers. Our group has been developing a 3D gel printer with 1mm precision in printing, but the shape, size and mechanical strength are not sufficient for medical models. In this study, we overcome these problems and make a gel model which is transparent, mechanically strong with a fine shape. The strength and molding accuracy is improved by changing and preparing the cross linker and ultraviolet absorber. We conducted mechanical and molding tests to confirm that the gel material properties improved.

Behaviour study of thick laminated composites: Experimentation and finite element analyses

NASA Astrophysics Data System (ADS)

Duchaine, Francois

In today's industries, it is common practice to utilize composite materials in very large and thick structures like bridge decks, high pressure vessels, wind turbine blades and aircraft parts to mention a few. Composite materials are highly favoured due to their physical characteristics: low weight, low cost, adaptable mechanical properties, high specific strength and stiffness. The use of composite materials for large structures has however raised several concerns in the prediction of the behaviour of thick laminated composite parts. A lack of knowledge and experience in the use of composite materials during the design, sizing and manufacturing of thick composite parts can lead to catastrophic events. In this thesis, it was supposed that the elastic material properties may vary with the laminate thickness. In order to measure the influence of the thickness on nine orthotropic elastic material properties (E1, E2, E3, nu12, nu 13, nu23, G12, G13 and G23), three categories of thickness have been defined using a comparison between the classical lamination theory (CLT), different beam theories and a numerical 3D solid finite element analysis (FEA) model. The defined categories are: thin laminates for thicknesses below 6 mm (0.236"), moderately thick laminates for thicknesses up to 16 mm (0.630") and thick laminates for thicknesses above 16 mm (0.630"). For three different thicknesses (thin -- 1.5 mm, moderately thick -- 10 mm and thick -- 20 mm), the influence of the thickness on the orthotropic elastic material properties of unidirectional (UD) fibreglass/epoxy laminates has been measured. A torsion test on rectangular bar is also proposed to measure the influence of the thickness on G13 and G23. The nine elastic material properties, in function of the thickness, have been used in CLT and 3D solid FEA model in order to predict the axial Young's modulus and Poisson's ratios of cross-ply and quasi-isotropic laminates. Experimental results have also been obtained for those laminates. The analysis of test results with CLT and FEA showed that the variation of elastic material properties with the thickness is not significant for in-plane problems. On the other hand, a substantial influence has been highlighted on UD elastic material properties driven by the matrix like E 2, E3, nu13 and G12. .
Physicochemical properties affect the synthesis, controlled delivery, degradation and pharmacokinetics of inorganic nanoporous materials.

PubMed

Yazdi, Iman K; Ziemys, Arturas; Evangelopoulos, Michael; Martinez, Jonathan O; Kojic, Milos; Tasciotti, Ennio

2015-10-01

Controlling size, shape and uniformity of porous constructs remains a major focus of the development of porous materials. Over the past two decades, we have seen significant developments in the fabrication of new, porous-ordered structures using a wide range of materials, resulting in properties well beyond their traditional use. Porous materials have been considered appealing, due to attractive properties such as pore size length, morphology and surface chemistry. Furthermore, their utilization within the life sciences and medicine has resulted in significant developments in pharmaceutics and medical diagnosis. This article focuses on various classes of porous materials, providing an overview of principle concepts with regard to design and fabrication, surface chemistry and loading and release kinetics. Furthermore, predictions from a multiscale mathematical model revealed the role pore length and diameter could have on payload release kinetics.
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.
Radiation protection using Martian surface materials in human exploration of Mars

NASA Technical Reports Server (NTRS)

Kim, M. H.; Thibeault, S. A.; Wilson, J. W.; Heilbronn, L.; Kiefer, R. L.; Weakley, J. A.; Dueber, J. L.; Fogarty, T.; Wilkins, R.

2001-01-01

To develop materials for shielding astronauts from the hazards of GCR, natural Martian surface materials are considered for their potential as radiation shielding for manned Mars missions. The modified radiation fluences behind various kinds of Martian rocks and regolith are determined by solving the Boltzmann equation using NASA Langley's HZETRN code along with the 1977 Solar Minimum galactic cosmic ray environmental model. To develop structural shielding composite materials for Martian surface habitats, theoretical predictions of the shielding properties of Martian regolith/polyimide composites has been computed to assess their shielding effectiveness. Adding high-performance polymer binders to Martian regolith to enhance structural properties also enhances the shielding properties of these composites because of the added hydrogenous constituents. Heavy ion beam testing of regolith simulant/polyimide composites is planned to validate this prediction. Characterization and proton beam tests are performed to measure structural properties and to compare the shielding effects on microelectronic devices, respectively.
Tooth fracture risk analysis based on a new finite element dental structure models using micro-CT data.

PubMed

Chen, G; Fan, W; Mishra, S; El-Atem, A; Schuetz, M A; Xiao, Y

2012-10-01

The finite element (FE) analysis is an effective method to study the strength and predict the fracture risk of endodontically-treated teeth. This paper presents a rapid method developed to generate a comprehensive tooth FE model using data retrieved from micro-computed tomography (μCT). With this method, the inhomogeneity of material properties of teeth was included into the model without dividing the tooth model into different regions. The material properties of the tooth were assumed to be related to the mineral density. The fracture risk at different tooth portions was assessed for root canal treatments. The micro-CT images of a tooth were processed by a Matlab software programme and the CT numbers were retrieved. The tooth contours were obtained with thresholding segmentation using Amira. The inner and outer surfaces of the tooth were imported into Solidworks and a three-dimensional (3D) tooth model was constructed. An assembly of the tooth model with the periodontal ligament (PDL) layer and surrounding bone was imported into ABAQUS. The material properties of the tooth were calculated from the retrieved CT numbers via ABAQUS user's subroutines. Three root canal geometries (original and two enlargements) were investigated. The proposed method in this study can generate detailed 3D finite element models of a tooth with different root canal enlargements and filling materials, and would be very useful for the assessment of the fracture risk at different tooth portions after root canal treatments. Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.
Mathematical Modeling of Ultraporous Nonmetallic Reticulated Materials

NASA Astrophysics Data System (ADS)

Alifanov, O. M.; Cherepanov, V. V.; Morzhukhina, A. V.

2015-01-01

We have developed an imitation statistical mathematical model reflecting the structure and the thermal, electrophysical, and optical properties of nonmetallic ultraporous reticulated materials. This model, in combination with a nonstationary thermal experiment and methods of the theory of inverse heat transfer problems, permits determining the little-studied characteristics of the above materials such as the radiative and conductive heat conductivities, the spectral scattering and absorption coefficients, the scattering indicatrix, and the dielectric constants, which are of great practical interest but are difficult to investigate.
Electronic transport in VO 2 —Experimentally calibrated Boltzmann transport modeling

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

Kinaci, Alper; Kado, Motohisa; Rosenmann, Daniel

2015-12-28

Materials that undergo metal-insulator transitions (MITs) are under intense study because the transition is scientifically fascinating and technologically promising for various applications. Among these materials, VO2 has served as a prototype due to its favorable transition temperature. While the physical underpinnings of the transition have been heavily investigated experimentally and computationally, quantitative modeling of electronic transport in the two phases has yet to be undertaken. In this work, we establish a density-functional-theory (DFT)-based approach to model electronic transport properties in VO2 in the semiconducting and metallic regimes, focusing on band transport using the Boltzmann transport equations. We synthesized high qualitymore » VO2 films and measured the transport quantities across the transition, in order to calibrate the free parameters in the model. We find that the experimental calibration of the Hubbard correction term can efficiently and adequately model the metallic and semiconducting phases, allowing for further computational design of MIT materials for desirable transport properties.« less
Materials Characterization at Utah State University: Facilities and Knowledge-base of Electronic Properties of Materials Applicable to Spacecraft Charging

NASA Technical Reports Server (NTRS)

Dennison, J. R.; Thomson, C. D.; Kite, J.; Zavyalov, V.; Corbridge, Jodie

2004-01-01

In an effort to improve the reliability and versatility of spacecraft charging models designed to assist spacecraft designers in accommodating and mitigating the harmful effects of charging on spacecraft, the NASA Space Environments and Effects (SEE) Program has funded development of facilities at Utah State University for the measurement of the electronic properties of both conducting and insulating spacecraft materials. We present here an overview of our instrumentation and capabilities, which are particularly well suited to study electron emission as related to spacecraft charging. These measurements include electron-induced secondary and backscattered yields, spectra, and angular resolved measurements as a function of incident energy, species and angle, plus investigations of ion-induced electron yields, photoelectron yields, sample charging and dielectric breakdown. Extensive surface science characterization capabilities are also available to fully characterize the samples in situ. Our measurements for a wide array of conducting and insulating spacecraft materials have been incorporated into the SEE Charge Collector Knowledge-base as a Database of Electronic Properties of Materials Applicable to Spacecraft Charging. This Database provides an extensive compilation of electronic properties, together with parameterization of these properties in a format that can be easily used with existing spacecraft charging engineering tools and with next generation plasma, charging, and radiation models. Tabulated properties in the Database include: electron-induced secondary electron yield, backscattered yield and emitted electron spectra; He, Ar and Xe ion-induced electron yields and emitted electron spectra; photoyield and solar emittance spectra; and materials characterization including reflectivity, dielectric constant, resistivity, arcing, optical microscopy images, scanning electron micrographs, scanning tunneling microscopy images, and Auger electron spectra. Further details of the instrumentation used for insulator measurements and representative measurements of insulating spacecraft materials are provided in other Spacecraft Charging Conference presentations. The NASA Space Environments and Effects Program, the Air Force Office of Scientific Research, the Boeing Corporation, NASA Graduate Research Fellowships, and the NASA Rocky Mountain Space Grant Consortium have provided support.
Modeling multiscale evolution of numerous voids in shocked brittle material.

PubMed

Yu, Yin; Wang, Wenqiang; He, Hongliang; Lu, Tiecheng

2014-04-01

The influence of the evolution of numerous voids on macroscopic properties of materials is a multiscale problem that challenges computational research. A shock-wave compression model for brittle material, which can obtain both microscopic evolution and macroscopic shock properties, was developed using discrete element methods (lattice model). Using a model interaction-parameter-mapping procedure, qualitative features, as well as trends in the calculated shock-wave profiles, are shown to agree with experimental results. The shock wave splits into an elastic wave and a deformation wave in porous brittle materials, indicating significant shock plasticity. Void collapses in the deformation wave were the natural reason for volume shrinkage and deformation. However, media slippage and rotation deformations indicated by complex vortex patterns composed of relative velocity vectors were also confirmed as an important source of shock plasticity. With increasing pressure, the contribution from slippage deformation to the final plastic strain increased. Porosity was found to determine the amplitude of the elastic wave; porosity and shock stress together determine propagation speed of the deformation wave, as well as stress and strain on the final equilibrium state. Thus, shock behaviors of porous brittle material can be systematically designed for specific applications.
Atomic-scale modeling of cellulose nanocrystals

NASA Astrophysics Data System (ADS)

Wu, Xiawa

Cellulose nanocrystals (CNCs), the most abundant nanomaterials in nature, are recognized as one of the most promising candidates to meet the growing demand of green, bio-degradable and sustainable nanomaterials for future applications. CNCs draw significant interest due to their high axial elasticity and low density-elasticity ratio, both of which are extensively researched over the years. In spite of the great potential of CNCs as functional nanoparticles for nanocomposite materials, a fundamental understanding of CNC properties and their role in composite property enhancement is not available. In this work, CNCs are studied using molecular dynamics simulation method to predict their material' behaviors in the nanoscale. (a) Mechanical properties include tensile deformation in the elastic and plastic regions using molecular mechanics, molecular dynamics and nanoindentation methods. This allows comparisons between the methods and closer connectivity to experimental measurement techniques. The elastic moduli in the axial and transverse directions are obtained and the results are found to be in good agreement with previous research. The ultimate properties in plastic deformation are reported for the first time and failure mechanism are analyzed in details. (b) The thermal expansion of CNC crystals and films are studied. It is proposed that CNC film thermal expansion is due primarily to single crystal expansion and CNC-CNC interfacial motion. The relative contributions of inter- and intra-crystal responses to heating are explored. (c) Friction at cellulose-CNCs and diamond-CNCs interfaces is studied. The effects of sliding velocity, normal load, and relative angle between sliding surfaces are predicted. The Cellulose-CNC model is analyzed in terms of hydrogen bonding effect, and the diamond-CNC model compliments some of the discussion of the previous model. In summary, CNC's material properties and molecular models are both studied in this research, contributing to the present understanding of this material and leading to some possible future work.
Comparison of in vivo vs. ex situ obtained material properties of sheep common carotid artery.

PubMed

Smoljkić, Marija; Verbrugghe, Peter; Larsson, Matilda; Widman, Erik; Fehervary, Heleen; D'hooge, Jan; Vander Sloten, Jos; Famaey, Nele

2018-05-01

Patient-specific biomechanical modelling can improve preoperative surgical planning. This requires patient-specific geometry as well as patient-specific material properties as input. The latter are, however, still quite challenging to estimate in vivo. This study focuses on the estimation of the mechanical properties of the arterial wall. Firstly, in vivo pressure, diameter and thickness of the arterial wall were acquired for sheep common carotid arteries. Next, the animals were sacrificed and the tissue was stored for mechanical testing. Planar biaxial tests were performed to obtain experimental stress-stretch curves. Finally, parameters for the hyperelastic Mooney-Rivlin and Gasser-Ogden-Holzapfel (GOH) material model were estimated based on the in vivo obtained pressure-diameter data as well as on the ex situ experimental stress-stretch curves. Both material models were able to capture the in vivo behaviour of the tissue. However, in the ex situ case only the GOH model provided satisfactory results. When comparing different fitting approaches, in vivo vs. ex situ, each of them showed its own advantages and disadvantages. The in vivo approach estimates the properties of the tissue in its physiological state while the ex situ approach allows to apply different loadings to properly capture the anisotropy of the tissue. Both of them could be further enhanced by improving the estimation of the stress-free state, i.e. by adding residual circumferential stresses in vivo and by accounting for the flattening effect of the tested samples ex vivo. • Competing interests: none declared • Word count: 4716. Copyright © 2018. Published by Elsevier Ltd.
Mechanical Properties Optimization of Poly-Ether-Ether-Ketone via Fused Deposition Modeling.

PubMed

Deng, Xiaohu; Zeng, Zhi; Peng, Bei; Yan, Shuo; Ke, Wenchao

2018-01-30

Compared to the common selective laser sintering (SLS) manufacturing method, fused deposition modeling (FDM) seems to be an economical and efficient three-dimensional (3D) printing method for high temperature polymer materials in medical applications. In this work, a customized FDM system was developed for polyether-ether-ketone (PEEK) materials printing. The effects of printing speed, layer thickness, printing temperature and filling ratio on tensile properties were analyzed by the orthogonal test of four factors and three levels. Optimal tensile properties of the PEEK specimens were observed at a printing speed of 60 mm/s, layer thickness of 0.2 mm, temperature of 370 °C and filling ratio of 40%. Furthermore, the impact and bending tests were conducted under optimized conditions and the results demonstrated that the printed PEEK specimens have appropriate mechanical properties.
A Database Approach for Predicting and Monitoring Baked Anode Properties

NASA Astrophysics Data System (ADS)

Lauzon-Gauthier, Julien; Duchesne, Carl; Tessier, Jayson

2012-11-01

The baked anode quality control strategy currently used by most carbon plants based on testing anode core samples in the laboratory is inadequate for facing increased raw material variability. The low core sampling rate limited by lab capacity and the common practice of reporting averaged properties based on some anode population mask a significant amount of individual anode variability. In addition, lab results are typically available a few weeks after production and the anodes are often already set in the reduction cells preventing early remedial actions when necessary. A database approach is proposed in this work to develop a soft-sensor for predicting individual baked anode properties at the end of baking cycle. A large historical database including raw material properties, process operating parameters and anode core data was collected from a modern Alcoa plant. A multivariate latent variable PLS regression method was used for analyzing the large database and building the soft-sensor model. It is shown that the general low frequency trends in most anode physical and mechanical properties driven by raw material changes are very well captured by the model. Improvements in the data infrastructure (instrumentation, sampling frequency and location) will be necessary for predicting higher frequency variations in individual baked anode properties. This paper also demonstrates how multivariate latent variable models can be interpreted against process knowledge and used for real-time process monitoring of carbon plants, and detection of faults and abnormal operation.
Two dimensional finite element heat transfer models for softwood

Treesearch

Hongmei Gu; John F. Hunt

2004-01-01

The anisotropy of wood creates a complex problem for solving heat and mass transfer problems that require analyses be based on fundamental material properties of the wood structure. Most heat transfer models use average thermal properties across either the radial or tangential directions and have not differentiated the effects of cellular alignment, earlywood/latewood...
Model of bidirectional reflectance distribution function for metallic materials

NASA Astrophysics Data System (ADS)

Wang, Kai; Zhu, Jing-Ping; Liu, Hong; Hou, Xun

2016-09-01

Based on the three-component assumption that the reflection is divided into specular reflection, directional diffuse reflection, and ideal diffuse reflection, a bidirectional reflectance distribution function (BRDF) model of metallic materials is presented. Compared with the two-component assumption that the reflection is composed of specular reflection and diffuse reflection, the three-component assumption divides the diffuse reflection into directional diffuse and ideal diffuse reflection. This model effectively resolves the problem that constant diffuse reflection leads to considerable error for metallic materials. Simulation and measurement results validate that this three-component BRDF model can improve the modeling accuracy significantly and describe the reflection properties in the hemisphere space precisely for the metallic materials.
The Effects of Terrain Properties on Determining Crater Model Ages of Lunar Surfaces

NASA Astrophysics Data System (ADS)

Kirchoff, M. R.; Marchi, S.

2017-12-01

Analyzing crater size-frequency distributions (SFDs) and using them to determine model ages of surfaces is an important technique for understanding the Moon's geologic history and evolution. Small craters with diameters (D) < 1 km are frequently used, especially given the very high resolution imaging now available from Lunar Reconnaissance Orbiter Narrow and Wide Angle Cameras (LROC-NAC/WAC) and the Selene Terrain Camera. However, for these diameters, final crater sizes and shapes are affected by the properties of the terrains on which they are formed [1], which alters crater SFD shapes [2]. We use the Model Production Function (MPF; [2]), which includes terrain properties in computing crater production functions, to explore how incorporating terrain properties affects the estimation of crater model ages. First, crater SFDs are compiled utilizing LROC-WAC/NAC images to measure craters with diameters from 10 m up to 20 km (size of largest crater measured depends on the terrain). A nested technique is used to obtain this wide diameter range: D ≥ 0.5 km craters are measured in the largest area, D = 0.09-0.5 km craters are measured in a smaller area within the largest area, and D = 0.01-0.1 km craters are measured in the smallest area located in both of the larger areas. Then, we quantitatively fit the crater SFD with distinct MPFs that use broadly different terrain properties. Terrain properties are varied through coarsely altering the parameters in the crater scaling law [1] that represent material type (consolidated, unconsolidated, porous), material tensile strength, and material density (for further details see [2]). We also discuss the effect of changing terrain properties with depth (i.e., layering). Finally, fits are used to compute the D = 1 km crater model ages for the terrains. We discuss the new constraints on how terrain properties affect crater model ages from our analyses of a variety of lunar terrains from highlands to mare and impact melt to continuous ejecta deposits. References: [1] Holsapple, K. A & Housen, K. R., Icarus 187, 345-356, 2007. [2] Marchi, S., et al., AJ 137, 4936-4948, 2009.
Neutron Detection using Amorphous Boron-Carbide Hetero-Junction Diodes

DTIC Science & Technology

2012-03-22

Parameter Calculation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80 B.1.1 UMKC Built-in Voltage...Electronic properties of boron carbide . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23 2. Diode Material/Geometric Parameters ...42 6. Material parameters for Davinci model . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 x List of
Thermomechanical response of metal-ceramic graded composites for high-temperature aerospace applications

NASA Astrophysics Data System (ADS)

Deierling, Phillip Eugene

Airframes operating in the hypersonic regime are subjected to complex structural and thermal loads. Structural loads are a result of aggressive high G maneuvers, rapid vehicle acceleration and deceleration, and dynamic pressure, while thermal loads are a result of aerodynamic heating. For such airframes, structural members are typically constructed from steel, titanium and nickel alloys. However, with most materials, rapid elevations in temperature lead to undesirable changes in material properties. In particular, reductions in strength and stiffness are observed, along with an increase in thermal conductivity, specific heat and thermal expansion. Thus, hypersonic airframes are typically designed with external insulation, active cooling or a thermal protection system (TPS) added to the structure to protect the underling material from the effects of temperature. Such thermal protection may consist of adhesively bonded, pinned, and bolted thermal protection layers over exterior panels. These types of attachments create abrupt changes in thermal expansion and stiffness that make the structure susceptible to cracking and debonding as well as adding mass to the airframe. One of the promising materials concepts for extreme environments that was introduced in the past is the so-called Spatially Tailored Advanced Thermal Structures (STATS). The concept of STATS is rooted in functionally graded materials (FGMs), in which a directional variation of material properties exists. These materials are essentially composites and consist of two or more phases of distinct materials in which the volume fractions of each phase continuously change in space. Here, the graded material will serve a dual-purpose role as both the structural/skin member and thermal management with the goal of reducing the weight of the structure while maintaining structural soundness. This is achieved through the ability to tailor material properties to create a desired or enhanced thermomechanical response through spatial variation (e.g. grading). The objective of this study is to present a computational framework for modeling and evaluating the thermomechanical response of STATS and FGMs for highly maneuverable hypersonic (Mach > 5) airframes. To meet the objective of this study, four key steps have been defined to study the thermomechanical response of such materials in extreme environments. They involve: (1) modeling of graded microstructures; (2) validation of analytical and numerical modeling techniques for graded microstructures; (3) determination of effective properties of variable composition composites; (4) parametric studies to evaluate the performance of FGMs for use in the hypersonic operating environment; (5) optimization of the material spatial grading in hypersonic panels aiming to improve the thermomechanical performance. Modeling of graded microstructures, representing particulate reinforced FGMs, has been accomplished using power law distribution functions to specify the spatial variation of the constituents. Artificial microstructures consisting of disks and spheres have been generated using developed algorithms. These algorithms allow for the creation of dense packing fractions up to 0.61 and 0.91 for 2D and 3D geometry, respectively. Effective properties of FGMs are obtained using micromechanics models and finite element analysis of representative volume elements (RVEs). Two approaches have been adopted and compared to determine the proper RVE for materials with graded microstructures. In the first approach, RVEs are generated by considering regions that have a uniform to slow variation in material composition (i.e., constant volume fraction), resulting in statistically homogenous piecewise RVEs of the graded microstructure neglecting interactions from neighboring cells. In the second approach, continuous RVEs are generated by considering the entire FGM. Here it is presumed that modeling of the complete variation in a microstructure may influence the surrounding layers due to the interactions of varying material composition, particularly when there is a steep variation in material composition along the grading direction. To determine these effects of interlayer interactions, FGM microstructures were generated using three different types of material grading functions, linear, quadratic and square root, providing uniform, gradual and steep variations, respectively. Two- and three-dimensional finite element analysis was performed to determine the effective temperature-dependent material properties of the composite over a wide temperature range. The outcome of the computational analysis show that the similar effective properties are obtained by each of the modeling approaches. Furthermore, the obtained computational results for effective elastic, thermal, and thermal expansion properties are consistent with the known analytical bounds. Resulting effective temperature-dependent material properties were used to evaluate the time-dependent thermostructural response and effectiveness of FGM structural panels. Structural panels are subjected to time- and spatial-dependent thermal and mechanical loads resulting from hypersonic flight over a representative trajectory. Mechanical loads are the by-product of aggressive maneuvering at high air speeds and angles of attack. Thermal loads as a result of aerodynamic heating are applied to the material systems as laminar, turbulent and transitional heat flux on the outer surface. Laminar and turbulent uniform heat fluxes are used to evaluate the effectiveness of FGM panels graded in the through-thickness direction only. Transitional heat fluxes are used to evaluate the effectiveness of FGMs graded in two principal directions, e.g., through-thickness and the surface parallel to flow. The computational results indicate that when subjected to uniform surface heat flux, the graded material system can eliminate through-thickness temperature gradients that are otherwise present in traditional thermal protection systems. Furthermore, two-dimensional graded material systems can also eliminate through-thickness temperature gradients and significantly reduce in-plane surface temperature gradients when subjected to non-uniform surface aerodynamic heating.
Strain Rate and Anisotropic Microstructure Dependent Mechanical Behaviors of Silkworm Cocoon Shells

PubMed Central

Xu, Jun; Zhang, Wen; Gao, Xiang; Meng, Wanlin; Guan, Juan

2016-01-01

Silkworm cocoons are multi-layered composite structures comprised of high strength silk fiber and sericin, and their mechanical properties have been naturally selected to protect pupas during metamorphosis from various types of external attacks. The present study attempts to gain a comprehensive understanding of the mechanical properties of cocoon shell materials from wild silkworm species Antheraea pernyi under dynamic loading rates. Five dynamic strain rates from 0.00625 s-1 to 12.5 s-1 are tested to show the strain rate sensitivity of the cocoon shell material. In the meantime, the anisotropy of the cocoon shell is considered and the cocoon shell specimens are cut along 0°, 45° and 90° orientation to the short axis of cocoons. Typical mechanical properties including Young’s modulus, yield strength, ultimate strength and ultimate strain are extracted and analyzed from the stress-strain curves. Furthermore, the fracture morphologies of the cocoon shell specimens are observed under scanning electron microscopy to help understand the relationship between the mechanical properties and the microstructures of the cocoon material. A discussion on the dynamic strain rate effect on the mechanical properties of cocoon shell material is followed by fitting our experimental results to two previous models, and the effect could be well explained. We also compare natural and dried cocoon materials for the dynamic strain rate effect and interestingly the dried cocoon shells show better overall mechanical properties. This study provides a different perspective on the mechanical properties of cocoon material as a composite material, and provides some insight for bio-inspired engineering materials. PMID:26939063
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.

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.
Elasticity of fractal materials using the continuum model with non-integer dimensional space

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2015-01-01

Using a generalization of vector calculus for space with non-integer dimension, we consider elastic properties of fractal materials. Fractal materials are described by continuum models with non-integer dimensional space. A generalization of elasticity equations for non-integer dimensional space, and its solutions for the equilibrium case of fractal materials are suggested. Elasticity problems for fractal hollow ball and cylindrical fractal elastic pipe with inside and outside pressures, for rotating cylindrical fractal pipe, for gradient elasticity and thermoelasticity of fractal materials are solved.
Establishment of gel materials with different mechanical properties by 3D gel printer SWIM-ER

NASA Astrophysics Data System (ADS)

Ota, Takafumi; Tase, Taishi; Okada, Koji; Saito, Azusa; Takamatsu, Kyuuichiro; Kawakami, Masaru; Furukawa, Hidemitsu

2016-04-01

A 3D printer is a device which can directly produce objects whose shape is the same as the original 3D digital data. Hydrogels have unique properties such as high water content, low frictional properties, biocompatibility, material permeability and high transparency, which are rare in hard and dry materials. These superior characteristics of gels promise useful medical applications. We have been working on the development of a 3D gel printer, SWIM-ER (Soft and Wet Industrial - Easy Realizer), which can make models of organs and artificial blood vessels with gel material. However, 3D printing has a problem: the mechanical properties of the printed object vary depending on printing conditions, and this matter was investigated with SWIM-ER. In the past, we found that mechanical properties of 3D gel objects depend on the deposition orientation in SWIM-ER. In this study, gels were printed with different laser scanning speeds. The mechanical properties of these gels were investigated by compression tests, water content measurements and SMILS (Scanning Microscopic Light Scattering).
Materials Database Development for Ballistic Impact Modeling

NASA Technical Reports Server (NTRS)

Pereira, J. Michael

2007-01-01

A set of experimental data is being generated under the Fundamental Aeronautics Program Supersonics project to help create and validate accurate computational impact models of jet engine impact events. The data generated will include material property data generated at a range of different strain rates, from 1x10(exp -4)/sec to 5x10(exp 4)/sec, over a range of temperatures. In addition, carefully instrumented ballistic impact tests will be conducted on flat plates and curved structures to provide material and structural response information to help validate the computational models. The material property data and the ballistic impact data will be generated using materials from the same lot, as far as possible. It was found in preliminary testing that the surface finish of test specimens has an effect on measured high strain rate tension response of AL2024. Both the maximum stress and maximum elongation are greater on specimens with a smoother finish. This report gives an overview of the testing that is being conducted and presents results of preliminary testing of the surface finish study.
Adhesion of Particulate Materials to Mesostructured Polypyrrole

NASA Astrophysics Data System (ADS)

Hoss, Darby; Knepper, Robert; Hotchkiss, Peter; Tappan, Alexander; Boudouris, Bryan; Beaudoin, Stephen

Interactions based on van der Waals (vdW) forces will influence the performance and reliability of mesostructured polypyrrole swabs used for the collection and detection of trace particles. The vdW adhesion force between materials is described by the Hamaker constant, and these constants are measured via optical and dielectric properties (i.e., according to Lifshitz theory), inverse gas chromatography (IGC), and contact angle measurements. Here, contact angle measurements were performed on films of several common materials and used to estimate Hamaker constants. This, in turn, will allow for the tuning of the design properties associated with the polypyrrole swabs. A comparison of these results to Hamaker constants estimated using Lifshitz Theory and IGC reveals the fundamental behavior of the materials. The Hamaker constants were then used in a new computational vdW adhesion model. The idealized model describes particle adhesion to an array of mesostrucures. This model elucidates the importance of where the particle makes contact with the mesostructure and the independence of vdW forces generated by each mesostructure. These results will facilitate the rational design of polypyrrole swabs optimized for harvesting microscale particles of trace materials.
GaAs, AlAs, and AlxGa1-xAs: Material parameters for use in research and device applications

NASA Astrophysics Data System (ADS)

Adachi, Sadao

1985-08-01

The AlxGa1-xAs/GaAs heterostructure system is potentially useful material for high-speed digital, high-frequency microwave, and electro-optic device applications. Even though the basic AlxGa1-xAs/GaAs heterostructure concepts are understood at this time, some practical device parameters in this system have been hampered by a lack of definite knowledge of many material parameters. Recently, Blakemore has presented numerical and graphical information about many of the physical and electronic properties of GaAs [J. S. Blakemore, J. Appl. Phys. 53, R123 (1982)]. The purpose of this review is (i) to obtain and clarify all the various material parameters of AlxGa1-xAs alloy from a systematic point of view, and (ii) to present key properties of the material parameters for a variety of research works and device applications. A complete set of material parameters are considered in this review for GaAs, AlAs, and AlxGa1-xAs alloys. The model used is based on an interpolation scheme and, therefore, necessitates known values of the parameters for the related binaries (GaAs and AlAs). The material parameters and properties considered in the present review can be classified into sixteen groups: (1) lattice constant and crystal density, (2) melting point, (3) thermal expansion coefficient, (4) lattice dynamic properties, (5) lattice thermal properties, (6) electronic-band structure, (7) external perturbation effects on the band-gap energy, (8) effective mass, (9) deformation potential, (10) static and high-frequency dielectric constants, (11) magnetic susceptibility, (12) piezoelectric constant, (13) Fröhlich coupling parameter, (14) electron transport properties, (15) optical properties, and (16) photoelastic properties. Of particular interest is the deviation of material parameters from linearity with respect to the AlAs mole fraction x. Some material parameters, such as lattice constant, crystal density, thermal expansion coefficient, dielectric constant, and elastic constant, obey Vegard's rule well. Other parameters, e.g., electronic-band energy, lattice vibration (phonon) energy, Debye temperature, and impurity ionization energy, exhibit quadratic dependence upon the AlAs mole fraction. However, some kinds of the material parameters, e.g., lattice thermal conductivity, exhibit very strong nonlinearity with respect to x, which arises from the effects of alloy disorder. It is found that the present model provides generally acceptable parameters in good agreement with the existing experimental data. A detailed discussion is also given of the acceptability of such interpolated parameters from an aspect of solid-state physics. Key properties of the material parameters for use in research work and a variety of AlxGa1-xAs/GaAs device applications are also discussed in detail.
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.
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.
The IRGen infrared data base modeler

NASA Technical Reports Server (NTRS)

Bernstein, Uri

1993-01-01

IRGen is a modeling system which creates three-dimensional IR data bases for real-time simulation of thermal IR sensors. Starting from a visual data base, IRGen computes the temperature and radiance of every data base surface with a user-specified thermal environment. The predicted gray shade of each surface is then computed from the user specified sensor characteristics. IRGen is based on first-principles models of heat transport and heat flux sources, and it accurately simulates the variations of IR imagery with time of day and with changing environmental conditions. The starting point for creating an IRGen data base is a visual faceted data base, in which every facet has been labeled with a material code. This code is an index into a material data base which contains surface and bulk thermal properties for the material. IRGen uses the material properties to compute the surface temperature at the specified time of day. IRGen also supports image generator features such as texturing and smooth shading, which greatly enhance image realism.
Nondestructive testing of delaminated interfaces between two materials using electromagnetic interrogation

NASA Astrophysics Data System (ADS)

Cakoni, Fioralba; de Teresa, Irene; Monk, Peter

2018-06-01

We consider the problem of detecting whether two materials that should be in contact have separated or delaminated using electromagnetic radiation. The interface damage is modeled as a thin opening between two materials of different electromagnetic properties. To derive a reconstruction algorithm that focuses on testing for the delamination at the interface between the two materials, we use the approximate asymptotic model for the forward problem derived in de Teresa (2017 PhD Thesis University of Delaware). In this model, the differential equations in the small opening are replaced by approximate transmission conditions for the electromagnetic fields across the interface. We also assume that the undamaged or background state is known and it is desired to find where the delamination has opened. We adapt the linear sampling method to this configuration in order to locate the damaged part of the interface from a knowledge of the scattered field and the undamaged configuration, but without needing to know the electromagnetic properties of the opening. Numerical examples are presented to validate our algorithm.
Prediction of material strength and fracture of glass using the SPHINX smooth particle hydrodynamics code

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

Mandell, D.A.; Wingate, C.A.

1994-08-01

The design of many military devices involves numerical predictions of the material strength and fracture of brittle materials. The materials of interest include ceramics, that are used in armor packages; glass that is used in truck and jeep windshields and in helicopters; and rock and concrete that are used in underground bunkers. As part of a program to develop advanced hydrocode design tools, the authors have implemented a brittle fracture model for glass into the SPHINX smooth particle hydrodynamics code. The authors have evaluated this model and the code by predicting data from one-dimensional flyer plate impacts into glass, andmore » data from tungsten rods impacting glass. Since fractured glass properties, which are needed in the model, are not available, the authors did sensitivity studies of these properties, as well as sensitivity studies to determine the number of particles needed in the calculations. The numerical results are in good agreement with the data.« less
Creep failure of a reactor pressure vessel lower head under severe accident conditions

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

Pilch, M.M.; Ludwigsen, J.S.; Chu, T.Y.

A severe accident in a nuclear power plant could result in the relocation of large quantities of molten core material onto the lower head of he reactor pressure vessel (RPV). In the absence of inherent cooling mechanisms, failure of the RPV ultimately becomes possible under the combined effects of system pressure and the thermal heat-up of the lower head. Sandia National Laboratories has performed seven experiments at 1:5th scale simulating creep failure of a RPV lower head. This paper describes a modeling program that complements the experimental program. Analyses have been performed using the general-purpose finite-element code ABAQUS-5.6. In ordermore » to make ABAQUS solve the specific problem at hand, a material constitutive model that utilizes temperature dependent properties has been developed and attached to ABAQUS-executable through its UMAT utility. Analyses of the LHF-1 experiment predict instability-type failure. Predicted strains are delayed relative to the observed strain histories. Parametric variations on either the yield stress, creep rate, or both (within the range of material property data) can bring predictions into agreement with experiment. The analysis indicates that it is necessary to conduct material property tests on the actual material used in the experimental program. The constitutive model employed in the present analyses is the subject of a separate publication.« less
Mechanics of fiber reinforced materials

NASA Astrophysics Data System (ADS)

Sun, Huiyu

This dissertation is dedicated to mechanics of fiber reinforced materials and the woven reinforcement and composed of four parts of research: analytical characterization of the interfaces in laminated composites; micromechanics of braided composites; shear deformation, and Poisson's ratios of woven fabric reinforcements. A new approach to evaluate the mechanical characteristics of interfaces between composite laminae based on a modified laminate theory is proposed. By including an interface as a special lamina termed the "bonding-layer" in the analysis, the mechanical properties of the interfaces are obtained. A numerical illustration is given. For micro-mechanical properties of three-dimensionally braided composite materials, a new method via homogenization theory and incompatible multivariable FEM is developed. Results from the hybrid stress element approach compare more favorably with the experimental data than other existing numerical methods widely used. To evaluate the shearing properties for woven fabrics, a new mechanical model is proposed during the initial slip region. Analytical results show that this model provides better agreement with the experiments for both the initial shear modulus and the slipping angle than the existing models. Finally, another mechanical model for a woven fabric made of extensible yarns is employed to calculate the fabric Poisson's ratios. Theoretical results are compared with the available experimental data. A thorough examination on the influences of various mechanical properties of yarns and structural parameters of fabrics on the Poisson's ratios of a woven fabric is given at the end.
Intrinsic properties and strengthening mechanism of monocrystalline Ni-containing ternary concentrated solid solutions

DOE PAGES

Jin, K.; Gao, Y. F.; Bei, H.

2017-04-07

Ternary single-phase concentrated solid solution alloys (SP-CSAs), so-called "medium entropy alloys", not only possess notable mechanical and physical properties but also form a model system linking the relatively simple binary alloys to the complex high entropy alloys. Our knowledge of their intrinsic properties is vital to understand the material behavior and to prompt future applications. To this end, three model alloys NiCoFe, NiCoCr, and NiFe-20Cr have been selected and grown as single crystals. We measured their elastic constants using an ultrasonic method, and several key materials properties, such as shear modulus, bulk modulus, elastic anisotropy, and Debye temperatures have beenmore » derived. Furthermore, nanoindentation tests have been performed on these three alloys together with Ni, NiCo and NiFe on their (100) surface, to investigate the strengthening mechanisms. NiCoCr has the highest hardness, NiFe, NiCoFe and NiFe-20Cr share a similar hardness that is apparently lower than NiCoCr; NiCo has the lowest hardness in the alloys, which is similar to elemental Ni. The Labusch-type solid solution model has been applied to interpret the nanoindentation data, with two approaches used to calculate the lattice mismatch. Finally, by adopting an interatomic spacing matrix method, the Labusch model can reasonably predict the hardening effects for the whole set of materials.« less
Advanced electromagnetic methods for aerospace vehicles

NASA Technical Reports Server (NTRS)

Balanis, Constantine A.; El-Sharawy, El-Budawy; Hashemi-Yeganeh, Shahrokh; Aberle, James T.; Birtcher, Craig R.

1991-01-01

The Advanced Helicopter Electromagnetics is centered on issues that advance technology related to helicopter electromagnetics. Progress was made on three major topics: composite materials; precipitation static corona discharge; and antenna technology. In composite materials, the research has focused on the measurements of their electrical properties, and the modeling of material discontinuities and their effect on the radiation pattern of antennas mounted on or near material surfaces. The electrical properties were used to model antenna performance when mounted on composite materials. Since helicopter platforms include several antenna systems at VHF and UHF bands, measuring techniques are being explored that can be used to measure the properties at these bands. The effort on corona discharge and precipitation static was directed toward the development of a new two dimensional Voltage Finite Difference Time Domain computer program. Results indicate the feasibility of using potentials for simulating electromagnetic problems in the cases where potentials become primary sources. In antenna technology the focus was on Polarization Diverse Conformal Microstrip Antennas, Cavity Backed Slot Antennas, and Varactor Tuned Circular Patch Antennas. Numerical codes were developed for the analysis of two probe fed rectangular and circular microstrip patch antennas fed by resistive and reactive power divider networks.
Computational Challenges in the Analysis of Petrophysics Using Microtomography and Upscaling

NASA Astrophysics Data System (ADS)

Liu, J.; Pereira, G.; Freij-Ayoub, R.; Regenauer-Lieb, K.

2014-12-01

Microtomography provides detailed 3D internal structures of rocks in micro- to tens of nano-meter resolution and is quickly turning into a new technology for studying petrophysical properties of materials. An important step is the upscaling of these properties as micron or sub-micron resolution can only be done on the sample-scale of millimeters or even less than a millimeter. We present here a recently developed computational workflow for the analysis of microstructures including the upscaling of material properties. Computations of properties are first performed using conventional material science simulations at micro to nano-scale. The subsequent upscaling of these properties is done by a novel renormalization procedure based on percolation theory. We have tested the workflow using different rock samples, biological and food science materials. We have also applied the technique on high-resolution time-lapse synchrotron CT scans. In this contribution we focus on the computational challenges that arise from the big data problem of analyzing petrophysical properties and its subsequent upscaling. We discuss the following challenges: 1) Characterization of microtomography for extremely large data sets - our current capability. 2) Computational fluid dynamics simulations at pore-scale for permeability estimation - methods, computing cost and accuracy. 3) Solid mechanical computations at pore-scale for estimating elasto-plastic properties - computational stability, cost, and efficiency. 4) Extracting critical exponents from derivative models for scaling laws - models, finite element meshing, and accuracy. Significant progress in each of these challenges is necessary to transform microtomography from the current research problem into a robust computational big data tool for multi-scale scientific and engineering problems.
Activation of Magnesium Lignosulfonate and Kraft Lignin: Influence on the Properties of Phenolic Resin-Based Composites for Potential Applications in Abrasive Materials

PubMed Central

Klapiszewski, Lukasz; Jamrozik, Artur; Strzemiecka, Beata; Matykiewicz, Danuta; Voelkel, Adam; Jesionowski, Teofil

2017-01-01

Magnesium lignosulfonate and kraft lignin were activated by different oxidizing agents for use in phenolic resin composites used for the production of abrasive components. The physicochemical properties of the oxidized materials were analyzed by Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), dynamic mechanical-thermal analysis (DMTA) and inverse gas chromatography (IGC). The homogeneity of the model abrasive composites containing the studied products was assessed based on observations obtained using a scanning electron microscope (SEM). FTIR and XPS analysis of the oxidized products indicated that the activation process leads mainly to the formation of carbonyl groups. The IGC technique was used to assess changes in the surface energy and the acid–base properties of the studied biopolymers. The changes in the acid–base properties suggest that more groups acting as electron donors appear on the oxidized surface of the materials. DMTA studies showed that the model composites with 5% magnesium lignosulfonate oxidized by H2O2 had the best thermomechanical properties. Based on the results it was possible to propose a hypothetical mechanism of the oxidation of the natural polymers. The use of such oxidized products may improve the thermomechanical properties of abrasive articles. PMID:28594358
Biomechanical Evaluation of a Novel Apatite-Wollastonite Ceramic Cage Design for Lumbar Interbody Fusion: A Finite Element Model Study

PubMed Central

Şenköylü, Alpaslan; Aktaş, Erdem; Sarıkaya, Baran; Sipahioğlu, Serkan; Gürbüz, Rıza; Timuçin, Muharrem

2018-01-01

Objectives Cage design and material properties play a crucial role in the long-term results, since interbody fusions using intervertebral cages have become one of the basic procedures in spinal surgery. Our aim is to design a novel Apatite-Wollastonite interbody fusion cage and evaluate its biomechanical behavior in silico in a segmental spinal model. Materials and Methods Mechanical properties for the Apatite-Wollastonite bioceramic cages were obtained by fitting finite element results to the experimental compression behavior of a cage prototype. The prototype was made from hydroxyapatite, pseudowollastonite, and frit by sintering. The elastic modulus of the material was found to be 32 GPa. Three intact lumbar vertebral segments were modelled with the ANSYS 12.0.1 software and this model was modified to simulate a Posterior Lumbar Interbody Fusion. Four cage designs in different geometries were analyzed in silico under axial loading, flexion, extension, and lateral bending. Results The K2 design had the best overall biomechanical performance for the loads considered. Maximum cage stress recorded was 36.7 MPa in compression after a flexion load, which was within the biomechanical limits of the cage. Conclusion Biomechanical analyses suggest that K2 bioceramic cage is an optimal design and reveals essential material properties for a stable interbody fusion. PMID:29581974
A phenomenological model of coating/substrate adhesion and interfacial bimetallic peeling stress in composite mirrors

NASA Technical Reports Server (NTRS)

Mcelroy, Paul M.; Lawson, Daniel D.

1990-01-01

Adhesion and interfacial stress between metal films and structural composite material substrates is discussed. A theoretical and conceptual basis for selecting coating materials for composite mirror substrates is described. A phenomenological model that interrelates cohesive tensile strength of thin film coatings and interfacial peeling stresses is presented. The model serves as a basis in determining gradiated materials response and compatibility of composite substrate and coating combinations. Parametric evaluation of material properties and geometrical factors such as coating thickness are used to determine the threshold stress levels for maintaining adhesion at the different interfaces.
The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers

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

Sarikurt, Sevil; Çakır, Deniz; Keçeli, Murat

The structural model ( i.e. adsorption site of oxygen atom on the surface of MXene) has a paramount impact on the electronic and thermoelectric properties of MXene crystals, which can be exploited to engineer the thermoelectric properties of these materials.

The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers

DOE PAGES

Sarikurt, Sevil; Çakır, Deniz; Keçeli, Murat; ...

2018-01-01

The structural model ( i.e. adsorption site of oxygen atom on the surface of MXene) has a paramount impact on the electronic and thermoelectric properties of MXene crystals, which can be exploited to engineer the thermoelectric properties of these materials.
Polymer microarray technology for stem cell engineering

PubMed Central

Coyle, Robert; Jia, Jia; Mei, Ying

2015-01-01

Stem cells hold remarkable promise for applications in tissue engineering and disease modeling. During the past decade, significant progress has been made in developing soluble factors (e.g., small molecules and growth factors) to direct stem cells into a desired phenotype. However, the current lack of suitable synthetic materials to regulate stem cell activity has limited the realization of the enormous potential of stem cells. This can be attributed to a large number of materials properties (e.g., chemical structures and physical properties of materials) that can affect stem cell fate. This makes it challenging to design biomaterials to direct stem cell behavior. To address this, polymer microarray technology has been developed to rapidly identify materials for a variety of stem cell applications. In this article, we summarize recent developments in polymer array technology and their applications in stem cell engineering. Statement of significance Stem cells hold remarkable promise for applications in tissue engineering and disease modeling. In the last decade, significant progress has been made in developing chemically defined media to direct stem cells into a desired phenotype. However, the current lack of the suitable synthetic materials to regulate stem cell activities has been limiting the realization of the potential of stem cells. This can be attributed to the number of variables in material properties (e.g., chemical structures and physical properties) that can affect stem cells. Polymer microarray technology has shown to be a powerful tool to rapidly identify materials for a variety of stem cell applications. Here we summarize recent developments in polymer array technology and their applications in stem cell engineering. PMID:26497624
Development of a model to assess acoustic treatments to reduce railway noise

NASA Astrophysics Data System (ADS)

Jeong, H.; Squicciarini, G.; Thompson, D. J.; Ryue, J.

2016-09-01

Porous materials have recently been used in absorptive treatments around railway tracks to reduce noise emissions. To investigate the effect of porous materials, a finite element model has been developed. 2D models for porous materials have been considered either as an equivalent fluid or as a poroelastic material based on the Biot theory. The two models have been validated and compared with each other to check the effect of the skeleton vibration. The poroelastic FE model has been coupled with a 2D acoustic boundary element model for use in railway applications. The results show that it may be necessary to include the frame vibration, especially at low frequencies where a frame resonance occurs. A method for the characterization of porous materials is also discussed. From this it is shown that the elastic properties of the material determine the resonance frequency and the magnitude.
Numerical Characterization of Piezoceramics Using Resonance Curves

PubMed Central

Pérez, Nicolás; Buiochi, Flávio; Brizzotti Andrade, Marco Aurélio; Adamowski, Julio Cezar

2016-01-01

Piezoelectric materials characterization is a challenging problem involving physical concepts, electrical and mechanical measurements and numerical optimization techniques. Piezoelectric ceramics such as Lead Zirconate Titanate (PZT) belong to the 6 mm symmetry class, which requires five elastic, three piezoelectric and two dielectric constants to fully represent the material properties. If losses are considered, the material properties can be represented by complex numbers. In this case, 20 independent material constants are required to obtain the full model. Several numerical methods have been used to adjust the theoretical models to the experimental results. The continuous improvement of the computer processing ability has allowed the use of a specific numerical method, the Finite Element Method (FEM), to iteratively solve the problem of finding the piezoelectric constants. This review presents the recent advances in the numerical characterization of 6 mm piezoelectric materials from experimental electrical impedance curves. The basic strategy consists in measuring the electrical impedance curve of a piezoelectric disk, and then combining the Finite Element Method with an iterative algorithm to find a set of material properties that minimizes the difference between the numerical impedance curve and the experimental one. Different methods to validate the results are also discussed. Examples of characterization of some common piezoelectric ceramics are presented to show the practical application of the described methods. PMID:28787875
Numerical Characterization of Piezoceramics Using Resonance Curves.

PubMed

Pérez, Nicolás; Buiochi, Flávio; Brizzotti Andrade, Marco Aurélio; Adamowski, Julio Cezar

2016-01-27

Piezoelectric materials characterization is a challenging problem involving physical concepts, electrical and mechanical measurements and numerical optimization techniques. Piezoelectric ceramics such as Lead Zirconate Titanate (PZT) belong to the 6 mm symmetry class, which requires five elastic, three piezoelectric and two dielectric constants to fully represent the material properties. If losses are considered, the material properties can be represented by complex numbers. In this case, 20 independent material constants are required to obtain the full model. Several numerical methods have been used to adjust the theoretical models to the experimental results. The continuous improvement of the computer processing ability has allowed the use of a specific numerical method, the Finite Element Method (FEM), to iteratively solve the problem of finding the piezoelectric constants. This review presents the recent advances in the numerical characterization of 6 mm piezoelectric materials from experimental electrical impedance curves. The basic strategy consists in measuring the electrical impedance curve of a piezoelectric disk, and then combining the Finite Element Method with an iterative algorithm to find a set of material properties that minimizes the difference between the numerical impedance curve and the experimental one. Different methods to validate the results are also discussed. Examples of characterization of some common piezoelectric ceramics are presented to show the practical application of the described methods.
Refinement of elastic, poroelastic, and osmotic tissue properties of intervertebral disks to analyze behavior in compression.

PubMed

Stokes, Ian A F; Laible, Jeffrey P; Gardner-Morse, Mack G; Costi, John J; Iatridis, James C

2011-01-01

Intervertebral disks support compressive forces because of their elastic stiffness as well as the fluid pressures resulting from poroelasticity and the osmotic (swelling) effects. Analytical methods can quantify the relative contributions, but only if correct material properties are used. To identify appropriate tissue properties, an experimental study and finite element analytical simulation of poroelastic and osmotic behavior of intervertebral disks were combined to refine published values of disk and endplate properties to optimize model fit to experimental data. Experimentally, nine human intervertebral disks with adjacent hemi-vertebrae were immersed sequentially in saline baths having concentrations of 0.015, 0.15, and 1.5 M and the loss of compressive force at constant height (force relaxation) was recorded over several hours after equilibration to a 300-N compressive force. Amplitude and time constant terms in exponential force-time curve-fits for experimental and finite element analytical simulations were compared. These experiments and finite element analyses provided data dependent on poroelastic and osmotic properties of the disk tissues. The sensitivities of the model to alterations in tissue material properties were used to obtain refined values of five key material parameters. The relaxation of the force in the three bath concentrations was exponential in form, expressed as mean compressive force loss of 48.7, 55.0, and 140 N, respectively, with time constants of 1.73, 2.78, and 3.40 h. This behavior was analytically well represented by a model having poroelastic and osmotic tissue properties with published tissue properties adjusted by multiplying factors between 0.55 and 2.6. Force relaxation and time constants from the analytical simulations were most sensitive to values of fixed charge density and endplate porosity.
Refinement of Elastic, Poroelastic, and Osmotic Tissue Properties of Intervertebral Disks to Analyze Behavior in Compression

PubMed Central

Stokes, Ian A. F.; Laible, Jeffrey P.; Gardner-Morse, Mack G.; Costi, John J.; Iatridis, James C.

2011-01-01

Intervertebral disks support compressive forces because of their elastic stiffness as well as the fluid pressures resulting from poroelasticity and the osmotic (swelling) effects. Analytical methods can quantify the relative contributions, but only if correct material properties are used. To identify appropriate tissue properties, an experimental study and finite element analytical simulation of poroelastic and osmotic behavior of intervertebral disks were combined to refine published values of disk and endplate properties to optimize model fit to experimental data. Experimentally, nine human intervertebral disks with adjacent hemi-vertebrae were immersed sequentially in saline baths having concentrations of 0.015, 0.15, and 1.5 M and the loss of compressive force at constant height (force relaxation) was recorded over several hours after equilibration to a 300-N compressive force. Amplitude and time constant terms in exponential force–time curve-fits for experimental and finite element analytical simulations were compared. These experiments and finite element analyses provided data dependent on poroelastic and osmotic properties of the disk tissues. The sensitivities of the model to alterations in tissue material properties were used to obtain refined values of five key material parameters. The relaxation of the force in the three bath concentrations was exponential in form, expressed as mean compressive force loss of 48.7, 55.0, and 140 N, respectively, with time constants of 1.73, 2.78, and 3.40 h. This behavior was analytically well represented by a model having poroelastic and osmotic tissue properties with published tissue properties adjusted by multiplying factors between 0.55 and 2.6. Force relaxation and time constants from the analytical simulations were most sensitive to values of fixed charge density and endplate porosity. PMID:20711754
The influence of dynamical change of optical properties on the thermomechanical response and damage threshold of noble metals under femtosecond laser irradiation

NASA Astrophysics Data System (ADS)

Tsibidis, George D.

2018-02-01

We present a theoretical investigation of the dynamics of the dielectric constant of noble metals following heating with ultrashort pulsed laser beams and the influence of the temporal variation of the associated optical properties on the thermomechanical response of the material. The effect of the electron relaxation time on the optical properties based on the use of a critical point model is thoroughly explored for various pulse duration values (i.e., from 110 fs to 8 ps). The proposed theoretical framework correlates the dynamical change in optical parameters, relaxation processes and induced strains-stresses. Simulations are presented by choosing gold as a test material, and we demonstrate that the consideration of the aforementioned factors leads to significant thermal effect changes compared to results when static parameters are assumed. The proposed model predicts a substantially smaller damage threshold and a large increase of the stress which firstly underlines the significant role of the temporal variation of the optical properties and secondly enhances its importance with respect to the precise determination of laser specifications in material micromachining techniques.
Identifying local characteristic lengths governing sound wave properties in solid foams

NASA Astrophysics Data System (ADS)

Tan Hoang, Minh; Perrot, Camille

2013-02-01

Identifying microscopic geometric properties and fluid flow through opened-cell and partially closed-cell solid structures is a challenge for material science, in particular, for the design of porous media used as sound absorbers in building and transportation industries. We revisit recent literature data to identify the local characteristic lengths dominating the transport properties and sound absorbing behavior of polyurethane foam samples by performing numerical homogenization simulations. To determine the characteristic sizes of the model, we need porosity and permeability measurements in conjunction with ligament lengths estimates from available scanning electron microscope images. We demonstrate that this description of the porous material, consistent with the critical path picture following from the percolation arguments, is widely applicable. This is an important step towards tuning sound proofing properties of complex materials.
Caracterisation mecanique dynamique de materiaux poro-visco-elastiques

NASA Astrophysics Data System (ADS)

Renault, Amelie

Poro-viscoelastic materials are well modelled with Biot-Allard equations. This model needs a number of geometrical parameters in order to describe the macroscopic geometry of the material and elastic parameters in order to describe the elastic properties of the material skeleton. Several characterisation methods of viscoelastic parameters of porous materials are studied in this thesis. Firstly, quasistatic and resonant characterization methods are described and analyzed. Secondly, a new inverse dynamic characterization of the same modulus is developed. The latter involves a two layers metal-porous beam, which is excited at the center. The input mobility is measured. The set-up is simplified compared to previous methods. The parameters are obtained via an inversion procedure based on the minimisation of the cost function comparing the measured and calculated frequency response functions (FRF). The calculation is done with a general laminate model. A parametric study identifies the optimal beam dimensions for maximum sensitivity of the inversion model. The advantage of using a code which is not taking into account fluid-structure interactions is the low computation time. For most materials, the effect of this interaction on the elastic properties is negligible. Several materials are tested to demonstrate the performance of the method compared to the classical quasi-static approaches, and set its limitations and range of validity. Finally, conclusions about their utilisation are given. Keywords. Elastic parameters, porous materials, anisotropy, vibration.
Introduction

NASA Astrophysics Data System (ADS)

Starosvetsky, Yuli; Jayaprakash, K. R.; Hasan, Md. Arif; Vakakis, Alexander F.

The study of mechanics of granular media dates back to the era of Coulomb. He was the first to postulate the yield condition for homogeneous solids and also conditions for failure in granular media [1-4]. In fact the ideal Coulomb material is the simplest granular material model wherein the shear stress along a plane is linearly proportional to the normal stress on that plane. This can be considered analogous to the Coulomb friction model in cohesion-free interfaces between solids. Initial research in this domain focused mainly on the statics of granular materials from a soil mechanics perspective. However, as the applications of granular materials broadened, the objectives of different research communities contradicted. For example, in geophysics or soil mechanics the objective is to regard granular media with properties of a solid in order to take considerable loads without yielding; on the other hand, in food grain or pharmaceutical industries the granular media is considered as fluids and their rheological properties are of interest. In fact granular media can exhibit both of these behaviors (and also the properties of a gas), and such unique features pave the way for their broad range applications...
Micromechanical models to guide the development of synthetic ‘brick and mortar’ composites

NASA Astrophysics Data System (ADS)

Begley, Matthew R.; Philips, Noah R.; Compton, Brett G.; Wilbrink, David V.; Ritchie, Robert O.; Utz, Marcel

2012-08-01

This paper describes a micromechanical analysis of the uniaxial response of composites comprising elastic platelets (bricks) bonded together with thin elastic perfectly plastic layers (mortar). The model yields closed-form results for the spatial variation of displacements in the bricks as a function of constituent properties, which can be used to calculate the effective properties of the composite, including elastic modulus, strength and work-to-failure. Regime maps are presented which indicate critical stresses for failure of the bricks and mortar as a function of constituent properties and brick architecture. The solution illustrates trade-offs between elastic modulus, strength and dissipated work that are a result of transitions between various failure mechanisms associated with brick rupture and rupture of the interfaces. Detailed scaling relationships are presented with the goal of providing material developers with a straightforward means to identify synthesis targets that balance competing mechanical behaviors and optimize material response. Ashby maps are presented to compare potential brick and mortar composites with existing materials, and identify future directions for material development.
A Model for Predicting Thermoelectric Properties of Bi2Te3

NASA Technical Reports Server (NTRS)

Lee, Seungwon; VonAllmen, Paul

2009-01-01

A parameterized orthogonal tight-binding mathematical model of the quantum electronic structure of the bismuth telluride molecule has been devised for use in conjunction with a semiclassical transport model in predicting the thermoelectric properties of doped bismuth telluride. This model is expected to be useful in designing and analyzing Bi2Te3 thermoelectric devices, including ones that contain such nano - structures as quantum wells and wires. In addition, the understanding gained in the use of this model can be expected to lead to the development of better models that could be useful for developing other thermoelectric materials and devices having enhanced thermoelectric properties. Bi2Te3 is one of the best bulk thermoelectric materials and is widely used in commercial thermoelectric devices. Most prior theoretical studies of the thermoelectric properties of Bi2Te3 have involved either continuum models or ab-initio models. Continuum models are computationally very efficient, but do not account for atomic-level effects. Ab-initio models are atomistic by definition, but do not scale well in that computation times increase excessively with increasing numbers of atoms. The present tight-binding model bridges the gap between the well-scalable but non-atomistic continuum models and the atomistic but poorly scalable ab-initio models: The present tight-binding model is atomistic, yet also computationally efficient because of the reduced (relative to an ab-initio model) number of basis orbitals and flexible parameterization of the Hamiltonian.
Modeling Creep-Fatigue-Environment Interactions in Steam Turbine Rotor Materials for Advanced Ultra-supercritical Coal Power Plants

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

Shen, Chen

2014-04-01

The goal of this project is to model creep-fatigue-environment interactions in steam turbine rotor materials for advanced ultra-supercritical (A-USC) coal power Alloy 282 plants, to develop and demonstrate computational algorithms for alloy property predictions, and to determine and model key mechanisms that contribute to the damages caused by creep-fatigue-environment interactions.
Development of a Stochastically-driven, Forward Predictive Performance Model for PEMFCs

NASA Astrophysics Data System (ADS)

Harvey, David Benjamin Paul

A one-dimensional multi-scale coupled, transient, and mechanistic performance model for a PEMFC membrane electrode assembly has been developed. The model explicitly includes each of the 5 layers within a membrane electrode assembly and solves for the transport of charge, heat, mass, species, dissolved water, and liquid water. Key features of the model include the use of a multi-step implementation of the HOR reaction on the anode, agglomerate catalyst sub-models for both the anode and cathode catalyst layers, a unique approach that links the composition of the catalyst layer to key properties within the agglomerate model and the implementation of a stochastic input-based approach for component material properties. The model employs a new methodology for validation using statistically varying input parameters and statistically-based experimental performance data; this model represents the first stochastic input driven unit cell performance model. The stochastic input driven performance model was used to identify optimal ionomer content within the cathode catalyst layer, demonstrate the role of material variation in potential low performing MEA materials, provide explanation for the performance of low-Pt loaded MEAs, and investigate the validity of transient-sweep experimental diagnostic methods.
Characterization of mechanical properties of pericardium tissue using planar biaxial tension and flexural deformation.

PubMed

Murdock, Kyle; Martin, Caitlin; Sun, Wei

2018-01-01

Flexure is an important mode of deformation for native and bioprosthetic heart valves. However, mechanical characterization of bioprosthetic leaflet materials has been done primarily through planar tensile testing. In this study, an integrated experimental and computational cantilever beam bending test was performed to characterize the flexural properties of glutaraldehyde-treated bovine and porcine pericardium of different thicknesses. A strain-invariant based structural constitutive model was used to model the pericardial mechanical behavior quantified through the bending tests of this study and the planar biaxial tests previously performed. The model parameters were optimized through an inverse finite element (FE) procedure in order to describe both sets of experimental data. The optimized material properties were implemented in FE simulations of transcatheter aortic valve (TAV) deformation. It was observed that porcine pericardium TAV leaflets experienced significantly more flexure than bovine when subjected to opening pressurization, and that the flexure may be overestimated using a constitutive model derived from purely planar tensile experimental data. Thus, modeling of a combination of flexural and biaxial tensile testing data may be necessary to more accurately describe the mechanical properties of pericardium, and to computationally investigate bioprosthetic leaflet function and design. Copyright © 2017 Elsevier Ltd. All rights reserved.
On Complexities of Impact Simulation of Fiber Reinforced Polymer Composites: A Simplified Modeling Framework

PubMed Central

Alemi-Ardakani, M.; Milani, A. S.; Yannacopoulos, S.

2014-01-01

Impact modeling of fiber reinforced polymer composites is a complex and challenging task, in particular for practitioners with less experience in advanced coding and user-defined subroutines. Different numerical algorithms have been developed over the past decades for impact modeling of composites, yet a considerable gap often exists between predicted and experimental observations. In this paper, after a review of reported sources of complexities in impact modeling of fiber reinforced polymer composites, two simplified approaches are presented for fast simulation of out-of-plane impact response of these materials considering four main effects: (a) strain rate dependency of the mechanical properties, (b) difference between tensile and flexural bending responses, (c) delamination, and (d) the geometry of fixture (clamping conditions). In the first approach, it is shown that by applying correction factors to the quasistatic material properties, which are often readily available from material datasheets, the role of these four sources in modeling impact response of a given composite may be accounted for. As a result a rough estimation of the dynamic force response of the composite can be attained. To show the application of the approach, a twill woven polypropylene/glass reinforced thermoplastic composite laminate has been tested under 200 J impact energy and was modeled in Abaqus/Explicit via the built-in Hashin damage criteria. X-ray microtomography was used to investigate the presence of delamination inside the impacted sample. Finally, as a second and much simpler modeling approach it is shown that applying only a single correction factor over all material properties at once can still yield a reasonable prediction. Both advantages and limitations of the simplified modeling framework are addressed in the performed case study. PMID:25431787
An efficient descriptor model for designing materials for solar cells

NASA Astrophysics Data System (ADS)

Alharbi, Fahhad H.; Rashkeev, Sergey N.; El-Mellouhi, Fedwa; Lüthi, Hans P.; Tabet, Nouar; Kais, Sabre

2015-11-01

An efficient descriptor model for fast screening of potential materials for solar cell applications is presented. It works for both excitonic and non-excitonic solar cells materials, and in addition to the energy gap it includes the absorption spectrum (α(E)) of the material. The charge transport properties of the explored materials are modelled using the characteristic diffusion length (Ld) determined for the respective family of compounds. The presented model surpasses the widely used Scharber model developed for bulk heterojunction solar cells. Using published experimental data, we show that the presented model is more accurate in predicting the achievable efficiencies. To model both excitonic and non-excitonic systems, two different sets of parameters are used to account for the different modes of operation. The analysis of the presented descriptor model clearly shows the benefit of including α(E) and Ld in view of improved screening results.
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.
The design and modeling of periodic materials with novel properties

NASA Astrophysics Data System (ADS)

Berger, Jonathan Bernard

Cellular materials are ubiquitous in our world being found in natural and engineered systems as structural materials, sound and energy absorbers, heat insulators and more. Stochastic foams made of polymers, metals and even ceramics find wide use due to their novel properties when compared to monolithic materials. Properties of these so called hybrid materials, those that combine materials or materials and space, are derived from the localization of thermomechanical stresses and strains on the mesoscale as a function of cell topology. The effects of localization can only be generalized in stochastic materials arising from their inherent potential complexity, possessing variations in local chemistry, microstructural inhomogeneity and topological variations. Ordered cellular materials on the other hand, such as lattices and honeycombs, make for much easier study, often requiring analysis of only a single unit-cell. Theoretical bounds predict that hybrid materials have the potential to push design envelopes offering lighter stiffer and stronger materials. Hybrid materials can achieve very low and even negative coefficients of thermal expansion (CTE) while retaining a relatively high stiffness -- properties completely unmatched by monolithic materials. In the first chapter of this thesis a two-dimensional lattice is detailed that possess near maximum stiffness, relative to the tightest theoretical bound, and low, zero and even appreciably negative thermal expansion. Its CTE and stiffness are given in closed form as a function of geometric parameters and the material properties. This result is confirmed with finite elements (FE) and experiment. In the second chapter the compressive stiffness of three-dimensional ordered foams, both closed and open cell, are predicted with FE and the results placed in property space in terms of stiffness and density. A novel structure is identified that effectively achieves theoretical bounds for Young's, shear and bulk modulus simultaneously, over a wide range of relative densities, greatly expanding the property space of available materials with a pragmatic manufacturable structure. A variety of other novel and previously studied ordered foam topologies are also presented that are largely representative of the spectrum of performance of such materials, shedding insight into the behavior of all cellular materials.

Probabilistic design of fibre concrete structures

NASA Astrophysics Data System (ADS)

Pukl, R.; Novák, D.; Sajdlová, T.; Lehký, D.; Červenka, J.; Červenka, V.

2017-09-01

Advanced computer simulation is recently well-established methodology for evaluation of resistance of concrete engineering structures. The nonlinear finite element analysis enables to realistically predict structural damage, peak load, failure, post-peak response, development of cracks in concrete, yielding of reinforcement, concrete crushing or shear failure. The nonlinear material models can cover various types of concrete and reinforced concrete: ordinary concrete, plain or reinforced, without or with prestressing, fibre concrete, (ultra) high performance concrete, lightweight concrete, etc. Advanced material models taking into account fibre concrete properties such as shape of tensile softening branch, high toughness and ductility are described in the paper. Since the variability of the fibre concrete material properties is rather high, the probabilistic analysis seems to be the most appropriate format for structural design and evaluation of structural performance, reliability and safety. The presented combination of the nonlinear analysis with advanced probabilistic methods allows evaluation of structural safety characterized by failure probability or by reliability index respectively. Authors offer a methodology and computer tools for realistic safety assessment of concrete structures; the utilized approach is based on randomization of the nonlinear finite element analysis of the structural model. Uncertainty of the material properties or their randomness obtained from material tests are accounted in the random distribution. Furthermore, degradation of the reinforced concrete materials such as carbonation of concrete, corrosion of reinforcement, etc. can be accounted in order to analyze life-cycle structural performance and to enable prediction of the structural reliability and safety in time development. The results can serve as a rational basis for design of fibre concrete engineering structures based on advanced nonlinear computer analysis. The presented methodology is illustrated on results from two probabilistic studies with different types of concrete structures related to practical applications and made from various materials (with the parameters obtained from real material tests).
Development and Demonstration of Material Properties Database and Software for the Simulation of Flow Properties in Cementitious Materials

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

Smith, F.; Flach, G.

This report describes work performed by the Savannah River National Laboratory (SRNL) in fiscal year 2014 to develop a new Cementitious Barriers Project (CBP) software module designated as FLOExcel. FLOExcel incorporates a uniform database to capture material characterization data and a GoldSim model to define flow properties for both intact and fractured cementitious materials and estimate Darcy velocity based on specified hydraulic head gradient and matric tension. The software module includes hydraulic parameters for intact cementitious and granular materials in the database and a standalone GoldSim framework to manipulate the data. The database will be updated with new data asmore » it comes available. The software module will later be integrated into the next release of the CBP Toolbox, Version 3.0. This report documents the development efforts for this software module. The FY14 activities described in this report focused on the following two items that form the FLOExcel package; 1) Development of a uniform database to capture CBP data for cementitious materials. In particular, the inclusion and use of hydraulic properties of the materials are emphasized; and 2) Development of algorithms and a GoldSim User Interface to calculate hydraulic flow properties of degraded and fractured cementitious materials. Hydraulic properties are required in a simulation of flow through cementitious materials such as Saltstone, waste tank fill grout, and concrete barriers. At SRNL these simulations have been performed using the PORFLOW code as part of Performance Assessments for salt waste disposal and waste tank closure.« less
Terahertz frequency superconductor-nanocomposite photonic band gap

NASA Astrophysics Data System (ADS)

Elsayed, Hussein A.; Aly, Arafa H.

2018-02-01

In the present work, we discuss the transmittance properties of one-dimensional (1D) superconductor nanocomposite photonic crystals (PCs) in THz frequency regions. Our modeling is essentially based on the two-fluid model, Maxwell-Garnett model and the characteristic matrix method. The numerical results investigate the appearance of the so-called cutoff frequency. We have obtained the significant effect of some parameters such as the volume fraction, the permittivity of the host material, the size of the nanoparticles and the permittivity of the superconductor material on the properties of the cutoff frequency. The present results may be useful in the optical communications and photonic applications to act as tunable antenna in THz, reflectors and high-pass filter.
Surface temperatures and glassy state investigations in tribology, part 2

NASA Technical Reports Server (NTRS)

Bair, S. S.; Winer, W. O.

1979-01-01

Measurements of lubricant shear rheological behavior in the amorphous solid region and near the liquid solid transition are reported. Elastic, plastic and viscous behavior was observed. The maximum yield shear stress (limiting shear stress) is a function of temperature and pressure and is believed to be the property which determines the maximum traction in elastohydrodynamic contacts such as traction drives. A shear rheological model based on primary laboratory data is proposed for concentrated contact lubrication. The model is Maxwell model modified with a limiting shear stress. Three material properties are required: low shear stress viscosity, limiting elastic shear modulus, and the limiting shear stress the material can withstand. All three are functions of temperature and pressure.
The Influence of Al2O3 Powder Morphology on the Properties of Cu-Al2O3 Composites Designed for Functionally Graded Materials (FGM)

NASA Astrophysics Data System (ADS)

Strojny-Nędza, Agata; Pietrzak, Katarzyna; Węglewski, Witold

2016-08-01

In order to meet the requirements of an increased efficiency applying to modern devices and in more general terms science and technology, it is necessary to develop new materials. Combining various types of materials (such as metals and ceramics) and developing composite materials seem to be suitable solutions. One of the most interesting materials includes Cu-Al2O3 composite and gradient materials (FGMs). Due to their potential properties, copper-alumina composites could be used in aerospace industry as rocket thrusters and components in aircraft engines. The main challenge posed by copper matrix composites reinforced by aluminum oxide particles is obtaining the uniform structure with no residual porosity (existing within the area of the ceramic phase). In the present paper, Cu-Al2O3 composites (also in a gradient form) with 1, 3, and 5 vol.% of aluminum oxide were fabricated by the hot pressing and spark plasma sintering methods. Two forms of aluminum oxide (αAl2O3 powder and electrocorundum) were used as a reinforcement. Microstructural investigations revealed that near fully dense materials with low porosity and a clear interface between the metal matrix and ceramics were obtained in the case of the SPS method. In this paper, the properties (mechanical, thermal, and tribological) of composite materials were also collected and compared. Technological tests were preceded by finite element method analyses of thermal stresses generated in the gradient structure, and additionally, the role of porosity in the formation process of composite properties was modeled. Based on the said modeling, technological conditions for obtaining FGMs were proposed.
Modeling silica aerogel optical performance by determining its radiative properties

NASA Astrophysics Data System (ADS)

Zhao, Lin; Yang, Sungwoo; Bhatia, Bikram; Strobach, Elise; Wang, Evelyn N.

2016-02-01

Silica aerogel has been known as a promising candidate for high performance transparent insulation material (TIM). Optical transparency is a crucial metric for silica aerogels in many solar related applications. Both scattering and absorption can reduce the amount of light transmitted through an aerogel slab. Due to multiple scattering, the transmittance deviates from the Beer-Lambert law (exponential attenuation). To better understand its optical performance, we decoupled and quantified the extinction contributions of absorption and scattering separately by identifying two sets of radiative properties. The radiative properties are deduced from the measured total transmittance and reflectance spectra (from 250 nm to 2500 nm) of synthesized aerogel samples by solving the inverse problem of the 1-D Radiative Transfer Equation (RTE). The obtained radiative properties are found to be independent of the sample geometry and can be considered intrinsic material properties, which originate from the aerogel's microstructure. This finding allows for these properties to be directly compared between different samples. We also demonstrate that by using the obtained radiative properties, we can model the photon transport in aerogels of arbitrary shapes, where an analytical solution is difficult to obtain.
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.
Structural damping studies at cryogenic temperatures

NASA Technical Reports Server (NTRS)

Young, Clarence P., Jr.; Buehrle, Ralph D.

1994-01-01

Results of an engineering study to measure changes in structural damping properties of two cryogenic wind tunnel model systems and two metallic test specimens at cryogenic temperatures are presented. Data are presented which indicate overall, a trend toward reduced structural damping at cryogenic temperatures (-250 degrees F) when compared with room temperature damping properties. The study was focused on structures and materials used for model systems tested in the National Transonic Facility (NTF). The study suggests that the significant reductions in damping at extremely cold temperatures are most likely associated with changes in mechanical joint compliance damping rather than changes in material (solid) damping.
Computation of Dielectric Response in Molecular Solids for High Capacitance Organic Dielectrics.

PubMed

Heitzer, Henry M; Marks, Tobin J; Ratner, Mark A

2016-09-20

The dielectric response of a material is central to numerous processes spanning the fields of chemistry, materials science, biology, and physics. Despite this broad importance across these disciplines, describing the dielectric environment of a molecular system at the level of first-principles theory and computation remains a great challenge and is of importance to understand the behavior of existing systems as well as to guide the design and synthetic realization of new ones. Furthermore, with recent advances in molecular electronics, nanotechnology, and molecular biology, it has become necessary to predict the dielectric properties of molecular systems that are often difficult or impossible to measure experimentally. In these scenarios, it is would be highly desirable to be able to determine dielectric response through efficient, accurate, and chemically informative calculations. A good example of where theoretical modeling of dielectric response would be valuable is in the development of high-capacitance organic gate dielectrics for unconventional electronics such as those that could be fabricated by high-throughput printing techniques. Gate dielectrics are fundamental components of all transistor-based logic circuitry, and the combination high dielectric constant and nanoscopic thickness (i.e., high capacitance) is essential to achieving high switching speeds and low power consumption. Molecule-based dielectrics offer the promise of cheap, flexible, and mass producible electronics when used in conjunction with unconventional organic or inorganic semiconducting materials to fabricate organic field effect transistors (OFETs). The molecular dielectrics developed to date typically have limited dielectric response, which results in low capacitances, translating into poor performance of the resulting OFETs. Furthermore, the development of better performing dielectric materials has been hindered by the current highly empirical and labor-intensive pace of synthetic progress. An accurate and efficient theoretical computational approach could drastically decrease this time by screening potential dielectric materials and providing reliable design rules for future molecular dielectrics. Until recently, accurate calculation of dielectric responses in molecular materials was difficult and highly approximate. Most previous modeling efforts relied on classical formalisms to relate molecular polarizability to macroscopic dielectric properties. These efforts often vastly overestimated polarizability in the subject materials and ignored crucial material properties that can affect dielectric response. Recent advances in first-principles calculations via density functional theory (DFT) with periodic boundary conditions have allowed accurate computation of dielectric properties in molecular materials. In this Account, we outline the methodology used to calculate dielectric properties of molecular materials. We demonstrate the validity of this approach on model systems, capturing the frequency dependence of the dielectric response and achieving quantitative accuracy compared with experiment. This method is then used as a guide to new high-capacitance molecular dielectrics by determining what materials and chemical properties are important in maximizing dielectric response in self-assembled monolayers (SAMs). It will be seen that this technique is a powerful tool for understanding and designing new molecular dielectric systems, the properties of which are fundamental to many scientific areas.
Quantitative property-structural relation modeling on polymeric dielectric materials

NASA Astrophysics Data System (ADS)

Wu, Ke

Nowadays, polymeric materials have attracted more and more attention in dielectric applications. But searching for a material with desired properties is still largely based on trial and error. To facilitate the development of new polymeric materials, heuristic models built using the Quantitative Structure Property Relationships (QSPR) techniques can provide reliable "working solutions". In this thesis, the application of QSPR on polymeric materials is studied from two angles: descriptors and algorithms. A novel set of descriptors, called infinite chain descriptors (ICD), are developed to encode the chemical features of pure polymers. ICD is designed to eliminate the uncertainty of polymer conformations and inconsistency of molecular representation of polymers. Models for the dielectric constant, band gap, dielectric loss tangent and glass transition temperatures of organic polymers are built with high prediction accuracy. Two new algorithms, the physics-enlightened learning method (PELM) and multi-mechanism detection, are designed to deal with two typical challenges in material QSPR. PELM is a meta-algorithm that utilizes the classic physical theory as guidance to construct the candidate learning function. It shows better out-of-domain prediction accuracy compared to the classic machine learning algorithm (support vector machine). Multi-mechanism detection is built based on a cluster-weighted mixing model similar to a Gaussian mixture model. The idea is to separate the data into subsets where each subset can be modeled by a much simpler model. The case study on glass transition temperature shows that this method can provide better overall prediction accuracy even though less data is available for each subset model. In addition, the techniques developed in this work are also applied to polymer nanocomposites (PNC). PNC are new materials with outstanding dielectric properties. As a key factor in determining the dispersion state of nanoparticles in the polymer matrix, the surface tension components of polymers are modeled using ICD. Compared to the 3D surface descriptors used in a previous study, the model with ICD has a much improved prediction accuracy and stability particularly for the polar component. In predicting the enhancement effect of grafting functional groups on the breakdown strength of PNC, a simple local charge transfer model is proposed where the electron affinity (EA) and ionization energy (IE) determines the main charge trap depth in the system. This physical model is supported by first principle computation. QSPR models for EA and IE are also built, decreasing the computation time of EA and IE for a single molecule from several hours to less than one second. Furthermore, the designs of two web-based tools are introduced. The tools represent two commonly used applications for QSPR studies: data inquiry and prediction. Making models and data public available and easy to use is particularly crucial for QSPR research. The web tools described in this work should provide a good guidance and starting point for the further development of information tools enabling more efficient cooperation between computational and experimental communities.
Non-invasive estimation of coral tentacle material properties using underwater PIV data

NASA Astrophysics Data System (ADS)

Staples, Anne; Asher, Shai; Shavit, Uri

2016-11-01

With corals worldwide currently undergoing a third global bleaching event, understanding a detailed picture of local coral colony flow transport processes is more crucial than ever. Many coral species invest energy in extending flexible organs such as tentacles, that extrude from the coral's soft tissue surface and are used in either a passive or active manner for feeding, competitor sensing and even egg release. The significant role of these organs in transport and mixing processes is just beginning to be understood. For example, Xeniidea's rhythmic pulsation of its tentacles has recently been shown to intensify mixing and enhance photosynthesis (Kremien et al., 2013). A critical part of modeling these tentacle-induced flows is obtaining measurements of the tentacles' material properties. Obtaining such measurements, however, is challenging, since the tentacle is expected to have significantly different material properties than a harvested specimen. Here, we demonstrate a non-invasive, in situ approach for estimating these material properties forFavia favus tentacles using underwater particle image velocimetry (PIV) data and tentacle-tracking data, along with structural dynamics models of the tentacles. In this data, 2.7x2 [cm2] 1392x1024 pixel images were collected at a rate of 5 Hz 7mm above the crest of two separate Favia Favuscolonies in Eilat, Israel. Using the data and models, we are able to estimate the Young's modulus for the tentacles, which is found to be a function of the wave frequency. Partial funding by the Fulbright and Israel Science Foundations.
Determination of the axial and circumferential mechanical properties of the skin tissue using experimental testing and constitutive modeling.

PubMed

Karimi, Alireza; Navidbakhsh, Mahdi; Haghighatnama, Maedeh; Haghi, Afsaneh Motevalli

2015-01-01

The skin, being a multi-layered material, is responsible for protecting the human body from the mechanical, bacterial, and viral insults. The skin tissue may display different mechanical properties according to the anatomical locations of a body. However, these mechanical properties in different anatomical regions and at different loading directions (axial and circumferential) of the mice body to date have not been determined. In this study, the axial and circumferential loads were imposed on the mice skin samples. The elastic modulus and maximum stress of the skin tissues were measured before the failure occurred. The nonlinear mechanical behavior of the skin tissues was also computationally investigated through a suitable constitutive equation. Hyperelastic material model was calibrated using the experimental data. Regardless of the anatomic locations of the mice body, the results revealed significantly different mechanical properties in the axial and circumferential directions and, consequently, the mice skin tissue behaves like a pure anisotropic material. The highest elastic modulus was observed in the back skin under the circumferential direction (6.67 MPa), while the lowest one was seen in the abdomen skin under circumferential loading (0.80 MPa). The Ogden material model was narrowly captured the nonlinear mechanical response of the skin at different loading directions. The results help to understand the isotropic/anisotropic mechanical behavior of the skin tissue at different anatomical locations. They also have implications for a diversity of disciplines, i.e., dermatology, cosmetics industry, clinical decision making, and clinical intervention.
A semi-empirical model relating micro structure to acoustic properties of bimodal porous material

NASA Astrophysics Data System (ADS)

Mosanenzadeh, Shahrzad Ghaffari; Doutres, Olivier; Naguib, Hani E.; Park, Chul B.; Atalla, Noureddine

2015-01-01

Complex morphology of open cell porous media makes it difficult to link microstructural parameters and acoustic behavior of these materials. While morphology determines the overall sound absorption and noise damping effectiveness of a porous structure, little is known on the influence of microstructural configuration on the macroscopic properties. In the present research, a novel bimodal porous structure was designed and developed solely for modeling purposes. For the developed porous structure, it is possible to have direct control on morphological parameters and avoid complications raised by intricate pore geometries. A semi-empirical model is developed to relate microstructural parameters to macroscopic characteristics of porous material using precise characterization results based on the designed bimodal porous structures. This model specifically links macroscopic parameters including static airflow resistivity ( σ ) , thermal characteristic length ( Λ ' ) , viscous characteristic length ( Λ ) , and dynamic tortuosity ( α ∞ ) to microstructural factors such as cell wall thickness ( 2 t ) and reticulation rate ( R w ) . The developed model makes it possible to design the morphology of porous media to achieve optimum sound absorption performance based on the application in hand. This study makes the base for understanding the role of microstructural geometry and morphological factors on the overall macroscopic parameters of porous materials specifically for acoustic capabilities. The next step is to include other microstructural parameters as well to generalize the developed model. In the present paper, pore size was kept constant for eight categories of bimodal foams to study the effect of secondary porous structure on macroscopic properties and overall acoustic behavior of porous media.
Experimental characterization of thermal and hygric properties of hemp concrete with consideration of the material age evolution

NASA Astrophysics Data System (ADS)

Bennai, F.; Issaadi, N.; Abahri, K.; Belarbi, R.; Tahakourt, A.

2018-04-01

The incorporation of plant crops in construction materials offers very good hygrothermal performance to the building, ensuring substantial environmental and ecological benefits. This paper focuses on studying the evolution of hygrothermal properties of hemp concrete over age (7, 30 and 60 days). The analysis is done with respect to two main hygric and thermal properties, respectively: sorption isotherms, water vapor permeability, thermal conductivity and heat capacity. In fact, most of these parameters are very susceptible to change function of the age of the material. This influence of the aging is mainly due to the evolution of the microstructure with the binder hydration over time and the creation of new hydrates which can reduces the porosity of the material and consequently modify its properties. All the tested hemp concrete samples presented high moisture storage capacity and high-water vapor permeability whatever the age of such hygroscopic material. These hygric parameters increase significantly for high relative humidity requiring more consideration of such variability during the modeling of coupled heat and mass transfer within the material. By the same, the thermal conductivity and heat capacity tests highlighted the impact of the temperature and hygric state of the studied material.
Using FT-IR Spectroscopy to Elucidate the Structures of Ablative Polymers

NASA Technical Reports Server (NTRS)

Fan, Wendy

2011-01-01

The composition and structure of an ablative polymer has a multifaceted influence on its thermal, mechanical and ablative properties. Understanding the molecular level information is critical to the optimization of material performance because it helps to establish correlations with the macroscopic properties of the material, the so-called structure-property relationship. Moreover, accurate information of molecular structures is also essential to predict the thermal decomposition pathways as well as to identify decomposition species that are fundamentally important to modeling work. In this presentation, I will describe the use of infrared transmission spectroscopy (FT-IR) as a convenient tool to aid the discovery and development of thermal protection system materials.
The effect of intramuscular fat on skeletal muscle mechanics: implications for the elderly and obese

PubMed Central

Rahemi, Hadi; Nigam, Nilima; Wakeling, James M.

2015-01-01

Skeletal muscle accumulates intramuscular fat through age and obesity. Muscle quality, a measure of muscle strength per unit size, decreases in these conditions. It is not clear how fat influences this loss in performance. Changes to structural parameters (e.g. fibre pennation and connective tissue properties) affect the muscle quality. This study investigated the mechanisms that lead to deterioration in muscle performance due to changes in intramuscular fat, pennation and aponeurosis stiffness. A finite-element model of the human gastrocnemius was developed as a fibre-reinforced composite biomaterial containing contractile fibres within the base material. The base-material properties were modified to include intramuscular fat in five different ways. All these models with fat generated lower fibre stress and muscle quality than their lean counterparts. This effect is due to the higher stiffness of the tissue in the fatty models. The fibre deformations influence their interactions with the aponeuroses, and these change with fatty inclusions. Muscles with more compliant aponeuroses generated lower forces. The muscle quality was further reduced for muscles with lower pennation. This study shows that whole-muscle force is dependent on its base-material properties and changes to the base material due to fatty inclusions result in reductions to force and muscle quality. PMID:26156300
The importance of stress percolation patterns in rocks and other polycrystalline materials.

PubMed

Burnley, P C

2013-01-01

A new framework for thinking about the deformation behavior of rocks and other heterogeneous polycrystalline materials is proposed, based on understanding the patterns of stress transmission through these materials. Here, using finite element models, I show that stress percolates through polycrystalline materials that have heterogeneous elastic and plastic properties of the same order as those found in rocks. The pattern of stress percolation is related to the degree of heterogeneity in and statistical distribution of the elastic and plastic properties of the constituent grains in the aggregate. The development of these stress patterns leads directly to shear localization, and their existence provides insight into the formation of rhythmic features such as compositional banding and foliation in rocks that are reacting or dissolving while being deformed. In addition, this framework provides a foundation for understanding and predicting the macroscopic rheology of polycrystalline materials based on single-crystal elastic and plastic mechanical properties.
The importance of stress percolation patterns in rocks and other polycrystalline materials

PubMed Central

Burnley, P.C.

2013-01-01

A new framework for thinking about the deformation behavior of rocks and other heterogeneous polycrystalline materials is proposed, based on understanding the patterns of stress transmission through these materials. Here, using finite element models, I show that stress percolates through polycrystalline materials that have heterogeneous elastic and plastic properties of the same order as those found in rocks. The pattern of stress percolation is related to the degree of heterogeneity in and statistical distribution of the elastic and plastic properties of the constituent grains in the aggregate. The development of these stress patterns leads directly to shear localization, and their existence provides insight into the formation of rhythmic features such as compositional banding and foliation in rocks that are reacting or dissolving while being deformed. In addition, this framework provides a foundation for understanding and predicting the macroscopic rheology of polycrystalline materials based on single-crystal elastic and plastic mechanical properties. PMID:23823992
Binders for Energetics - Modelling and Synthesis in Harmony

NASA Astrophysics Data System (ADS)

Dossi, Licia; Cleaver, Doug; Gould, Peter; Dunnett, Jim; Cavaye, Hamish; Ellison, Laurence; Luppi, Federico; Hollands, Ron; Bradley, Mark

The Binders by Design UK programme develop new polymeric materials for energetic applications that can overcome problems related to chemico-physical properties, aging, additives, environmental and performance of energetic compositions. Combined multi-scale modelling and experiment is used for the development of a new modelling tool and with the aim to produce novel materials with great confidence and fast turnaround. New synthesised binders with attractive properties for energetic applications used to provide a high level of confidence in the results of developed models. Molecular dynamics simulations investigate the thermal behaviour and the results directly feed into a Group Interaction Model (GIM). A viscoelastic constitutive model has been developed examining stress development in energetic/binder configurations. GIM data has been used as the basis for developing hydrocode equations of state, which then applied in run-to-detonation type investigations to examine the effect of the shock properties of a binder on the reactivity of a typical Polymer Bonded Explosive in a high-velocity impact type scenario. The Binders by Design UK programme is funded through the Weapons Science and Technology Centre by DSTL.
Numerical Modelling of Mechanical Properties of C-Pd Film by Homogenization Technique and Finite Element Method

NASA Astrophysics Data System (ADS)

Rymarczyk, Joanna; Kowalczyk, Piotr; Czerwosz, Elzbieta; Bielski, Włodzimierz

2011-09-01

The nanomechanical properties of nanostructural carbonaceous-palladium films are studied. The nanoindentation experiments are numerically using the Finite Element Method. The homogenization theory is applied to compute the properties of the composite material used as the input data for nanoindentation calculations.

Modification of a Macromechanical Finite-Element Based Model for Impact Analysis of Triaxially-Braided Composites

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Blinzler, Brina J.; Binienda, Wieslaw K.

2010-01-01

A macro level finite element-based model has been developed to simulate the mechanical and impact response of triaxially-braided polymer matrix composites. In the analytical model, the triaxial braid architecture is simulated by using four parallel shell elements, each of which is modeled as a laminated composite. For the current analytical approach, each shell element is considered to be a smeared homogeneous material. The commercial transient dynamic finite element code LS-DYNA is used to conduct the simulations, and a continuum damage mechanics model internal to LS-DYNA is used as the material constitutive model. The constitutive model requires stiffness and strength properties of an equivalent unidirectional composite. Simplified micromechanics methods are used to determine the equivalent stiffness properties, and results from coupon level tests on the braided composite are utilized to back out the required strength properties. Simulations of quasi-static coupon tests of several representative braided composites are conducted to demonstrate the correlation of the model. Impact simulations of a represented braided composites are conducted to demonstrate the capability of the model to predict the penetration velocity and damage patterns obtained experimentally.
Uncertainty quantification of resonant ultrasound spectroscopy for material property and single crystal orientation estimation on a complex part

NASA Astrophysics Data System (ADS)

Aldrin, John C.; Mayes, Alexander; Jauriqui, Leanne; Biedermann, Eric; Heffernan, Julieanne; Livings, Richard; Goodlet, Brent; Mazdiyasni, Siamack

2018-04-01

A case study is presented evaluating uncertainty in Resonance Ultrasound Spectroscopy (RUS) inversion for a single crystal (SX) Ni-based superalloy Mar-M247 cylindrical dog-bone specimens. A number of surrogate models were developed with FEM model solutions, using different sampling schemes (regular grid, Monte Carlo sampling, Latin Hyper-cube sampling) and model approaches, N-dimensional cubic spline interpolation and Kriging. Repeated studies were used to quantify the well-posedness of the inversion problem, and the uncertainty was assessed in material property and crystallographic orientation estimates given typical geometric dimension variability in aerospace components. Surrogate model quality was found to be an important factor in inversion results when the model more closely represents the test data. One important discovery was when the model matches well with test data, a Kriging surrogate model using un-sorted Latin Hypercube sampled data performed as well as the best results from an N-dimensional interpolation model using sorted data. However, both surrogate model quality and mode sorting were found to be less critical when inverting properties from either experimental data or simulated test cases with uncontrolled geometric variation.
Reproducibility of structural strength and stiffness for graphite-epoxy aircraft spoilers

NASA Technical Reports Server (NTRS)

Howell, W. E.; Reese, C. D.

1978-01-01

Structural strength reproducibility of graphite epoxy composite spoilers for the Boeing 737 aircraft was evaluated by statically loading fifteen spoilers to failure at conditions simulating aerodynamic loads. Spoiler strength and stiffness data were statistically modeled using a two parameter Weibull distribution function. Shape parameter values calculated for the composite spoiler strength and stiffness were within the range of corresponding shape parameter values calculated for material property data of composite laminates. This agreement showed that reproducibility of full scale component structural properties was within the reproducibility range of data from material property tests.
Modeling of Impact Properties of Auxetic Materials Phase 2

DTIC Science & Technology

2014-03-01

over the more conventional engineering materials, such as higher indentation resistance, higher fracture toughness and greater resistance to impact...entrant materials were fixed at L=H=1.0 mm from which the rib lengths and thickness for each test case could be calculated using Equations (5) and (6...specimen. In all finite element models, the horizontal (2h) and diagonal (l) ribs shown in Figure 2 were idealized by ten and five shell elements
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.
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.
Innovative oxide materials for electrochemical energy conversion and oxygen separation

NASA Astrophysics Data System (ADS)

Belousov, V. V.

2017-10-01

Ion-conducting solid metal oxides are widely used in high-temperature electrochemical devices for energy conversion and oxygen separation. However, liquid metal oxides possessing unique electrochemical properties still remain of limited use. The review demonstrates the potential for practical applications of molten oxides. The transport properties of molten oxide materials are discussed. The emphasis is placed on the chemical diffusion of oxygen in the molten oxide membrane materials for electrochemical energy conversion and oxygen separation. The thermodynamics of these materials is considered. The dynamic polymer chain model developed to describe the oxygen ion transport in molten oxides is discussed. Prospects for further research into molten oxide materials are outlined. The bibliography includes 145 references.
Indigenous lunar construction materials

NASA Technical Reports Server (NTRS)

Rogers, Wayne; Sture, Stein

1991-01-01

The objectives are the following: to investigate the feasibility of the use of local lunar resources for construction of a lunar base structure; to develop a material processing method and integrate the method with design and construction of a pressurized habitation structure; to estimate specifications of the support equipment necessary for material processing and construction; and to provide parameters for systems models of lunar base constructions, supply, and operations. The topics are presented in viewgraph form and include the following: comparison of various lunar structures; guidelines for material processing methods; cast lunar regolith; examples of cast basalt components; cast regolith process; processing equipment; mechanical properties of cast basalt; material properties and structural design; and future work.
Numerical simulations of mechanical properties of innovative pothole patching materials featuring high toughness, low viscosity nano-molecular resins

NASA Astrophysics Data System (ADS)

Yuan, K. Y.; Yuan, W.; Ju, J. W.; Yang, J. M.; Kao, W.; Carlson, L.

2012-04-01

As asphalt pavements age and deteriorate, recurring pothole repair failures and propagating alligator cracks in the asphalt pavements have become a serious issue to our daily life and resulted in high repairing costs for pavement and vehicles. To solve this urgent issue, pothole repair materials with superior durability and long service life are needed. In the present work, revolutionary pothole patching materials with high toughness, high fatigue resistance that are reinforced with nano-molecular resins have been developed to enhance their resistance to traffic loads and service life of repaired potholes. In particular, DCPD resin (dicyclopentadiene, C10H12) with a Rhuthinium-based catalyst is employed to develop controlled properties that are compatible with aggregates and asphalt binders. In this paper, a multi-level numerical micromechanics-based model is developed to predict the mechanical properties of these innovative nanomolecular resin reinforced pothole patching materials. Coarse aggregates in the finite element analysis are modeled as irregular shapes through image processing techniques and randomly-dispersed coated particles. The overall properties of asphalt mastic, which consists of fine aggregates, asphalt binder, cured DCPD and air voids are theoretically estimated by the homogenization technique of micromechanics. Numerical predictions are compared with suitably designed experimental laboratory results.
Excitonic states and defect physics of two-dimensional group-IV monochalcogenides.

NASA Astrophysics Data System (ADS)

Gomes, Lidia; Carvalho, Alexandra; Trevisanutto, Paolo; Rodin, Aleksandr; Neto, Antonio

Layered group-IV monochalcogenides have become an important group of materials within the ever-growing family of two-dimensional crystals. Among the binary IV-VI compounds, SnS, SnSe, GeS, and GeSe form a subgroup with orthorhombic structure which has shown exciting particularities and has been considered of high potential for numerous application. We give a brief overview of some important properties of the 2D form of this group and focus on recent results addressing the excitonic properties and the impact of the introduction of point defects on their structures. Vacancies and oxygen defects are modeled using first principles calculations. Energetic and structural analysis of five different models for chemisorbed oxygen atoms, reveals a better resistance of these materials to oxidation if compared to their isostructural partner, phosphorene. We also discuss a parallel work where quasi-particle band structure and excitonic properties of GeS and GeSe monolayers are investigated through ab initio GW and Bethe-Salpeter equation calculations. Within the main results, we show that the optical spectra of both materials are dominated by excitonic effects, however, GeS presents a remarkably larger binding energy of 1 eV. NRF-CRP award Novel 2D materials with tailored properties: beyond graphene (R-144-000-295-281) 1.
Material point method of modelling and simulation of reacting flow of oxygen

NASA Astrophysics Data System (ADS)

Mason, Matthew; Chen, Kuan; Hu, Patrick G.

2014-07-01

Aerospace vehicles are continually being designed to sustain flight at higher speeds and higher altitudes than previously attainable. At hypersonic speeds, gases within a flow begin to chemically react and the fluid's physical properties are modified. It is desirable to model these effects within the Material Point Method (MPM). The MPM is a combined Eulerian-Lagrangian particle-based solver that calculates the physical properties of individual particles and uses a background grid for information storage and exchange. This study introduces chemically reacting flow modelling within the MPM numerical algorithm and illustrates a simple application using the AeroElastic Material Point Method (AEMPM) code. The governing equations of reacting flows are introduced and their direct application within an MPM code is discussed. A flow of 100% oxygen is illustrated and the results are compared with independently developed computational non-equilibrium algorithms. Observed trends agree well with results from an independently developed source.
Penalty-Based Finite Element Interface Technology for Analysis of Homogeneous and Composite Structures

NASA Technical Reports Server (NTRS)

Averill, Ronald C.

2002-01-01

An effective and robust interface element technology able to connect independently modeled finite element subdomains has been developed. This method is based on the use of penalty constraints and allows coupling of finite element models whose nodes do not coincide along their common interface. Additionally, the present formulation leads to a computational approach that is very efficient and completely compatible with existing commercial software. A significant effort has been directed toward identifying those model characteristics (element geometric properties, material properties, and loads) that most strongly affect the required penalty parameter, and subsequently to developing simple 'formulae' for automatically calculating the proper penalty parameter for each interface constraint. This task is especially critical in composite materials and structures, where adjacent sub-regions may be composed of significantly different materials or laminates. This approach has been validated by investigating a variety of two-dimensional problems, including composite laminates.
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.
Two-dimensional finite element heat transfer model of softwood. Part I, Effective thermal conductivity

Treesearch

John F. Hunt; Hongmei Gu

2006-01-01

The anisotropy of wood complicates solution of heat and mass transfer problems that require analyses be based on fundamental material properties of the wood structure. Most heat transfer models use average thermal properties across either the radial or tangential direction and do not differentiate the effects of cellular alignment, earlywood/latewood differences, or...
Multiscale Modeling for Linking Growth, Microstructure, and Properties of Inorganic Microporous Films

NASA Technical Reports Server (NTRS)

Vlachos, Dion G.

2002-01-01

The focus of this presentation is on multiscale modeling in order to link processing, microstructure, and properties of materials. Overview of problems we study includes: Growth mechanisms in chemical and physical vapor epitaxy; thin films of zeolites for separation and sensing; thin Pd films for hydrogen separation and pattern formation by self-regulation routes.
Micromechanical combined stress analysis: MICSTRAN, a user manual

NASA Technical Reports Server (NTRS)

Naik, R. A.

1992-01-01

Composite materials are currently being used in aerospace and other applications. The ability to tailor the composite properties by the appropriate selection of its constituents, the fiber and matrix, is a major advantage of composite materials. The Micromechanical Combined Stress Analysis (MICSTRAN) code provides the materials engineer with a user-friendly personal computer (PC) based tool to calculate overall composite properties given the constituent fiber and matrix properties. To assess the ability of the composite to carry structural loads, the materials engineer also needs to calculate the internal stresses in the composite material. MICSTRAN is a simple tool to calculate such internal stresses with a composite ply under combined thermomechanical loading. It assumes that the fibers have a circular cross-section and are arranged either in a repeating square or diamond array pattern within a ply. It uses a classical elasticity solution technique that has been demonstrated to calculate accurate stress results. Input to the program consists of transversely isotropic fiber properties and isotropic matrix properties such as moduli, Poisson's ratios, coefficients of thermal expansion, and volume fraction. Output consists of overall thermoelastic constants and stresses. Stresses can be computed under the combined action of thermal, transverse, longitudinal, transverse shear, and longitudinal shear loadings. Stress output can be requested along the fiber-matrix interface, the model boundaries, circular arcs, or at user-specified points located anywhere in the model. The MICSTRAN program is Windows compatible and takes advantage of the Microsoft Windows graphical user interface which facilitates multitasking and extends memory access far beyond the limits imposed by the DOS operating system.
Evolution of material properties during free radical photopolymerization

NASA Astrophysics Data System (ADS)

Wu, Jiangtao; Zhao, Zeang; Hamel, Craig M.; Mu, Xiaoming; Kuang, Xiao; Guo, Zaoyang; Qi, H. Jerry

2018-03-01

Photopolymerization is a widely used polymerization method in many engineering applications such as coating, dental restoration, and 3D printing. It is a complex chemical and physical process, through which a liquid monomer solution is rapidly converted to a solid polymer. In the most common free-radical photopolymerization process, the photoinitiator in the solution is exposed to light and decomposes into active radicals, which attach to monomers to start the polymerization reaction. The activated monomers then attack Cdbnd C double bonds of unsaturated monomers, which leads to the growth of polymer chains. With increases in the polymer chain length and the average molecular weight, polymer chains start to connect and form a network structure, and the liquid polymer solution becomes a dense solid. During this process, the material properties of the cured polymer change dramatically. In this paper, experiments and theoretical modeling are used to investigate the free-radical photopolymerization reaction kinetics, material property evolution and mechanics during the photopolymerization process. The model employs the first order chemical reaction rate equations to calculate the variation of the species concentrations. The degree of monomer conversion is used as an internal variable that dictates the mechanical properties of the cured polymer at different curing states, including volume shrinkage, glass transition temperature, and nonlinear viscoelastic properties. To capture the nonlinear behavior of the cured polymer under low temperature and finite deformation, a multibranch nonlinear viscoelastic model is developed. A phase evolution model is used to describe the mechanics of the coupling between the crosslink network evolution and mechanical loading during the curing process. The comparison of the model and the experimental results indicates that the model can capture property changes during curing. The model is further applied to investigate the internal stress of a thick sample caused by volume shrinkage during photopolymerization. Changes in the conversion degree gradient and the internal stress during photopolymerization are determined using FEM simulation. The model can be extended to many photocuring processes, such as photopolymerization 3D printing, surface coating and automotive part curing processes.
Adhesive in the buckling failure of corrugated fiberboard : a finite element investigation

Treesearch

Adeeb A. Rahman; Said M. Abubakr

1998-01-01

This research study proposed to include the glue material in a finite element model that represents the actual geometry and material properties of a corrugated fiberboard. The model is a detailed representation of the different components of the structure (adhesive, linerboard, medium) to perform buckling analysis of corrugated structures under compressive loads. The...
Quantum Impurity Models as Reference Systems for Strongly Correlated Materials: The Road from the Kondo Impurity Model to First Principles Electronic Structure Calculations with Dynamical Mean-Field Theory

NASA Astrophysics Data System (ADS)

Kotliar, Gabriel

2005-01-01

Dynamical mean field theory (DMFT) relates extended systems (bulk solids, surfaces and interfaces) to quantum impurity models (QIM) satisfying a self-consistency condition. This mapping provides an economic description of correlated electron materials. It is currently used in practical computations of physical properties of real materials. It has also great conceptual value, providing a simple picture of correlated electron phenomena on the lattice, using concepts derived from quantum impurity models such as the Kondo effect. DMFT can also be formulated as a first principles electronic structure method and is applicable to correlated materials.
Modeling the Relationship Between Porosity and Permeability During Oxidation of Ablative Materials

NASA Technical Reports Server (NTRS)

Thornton, John M.; Panerai, Francesco; Ferguson, Joseph C.; Borner, Arnaud; Mansour, Nagi N.

2017-01-01

The ablative materials used in thermal protection systems (TPS) undergo oxidation during atmospheric entry which leads to an in-depth change in both permeability and porosity. These properties have a significant affect on heat transfer in a TPS during entry. X-ray micro-tomography has provided 3D images capturing the micro-structure of TPS materials. In this study, we use micro-tomography based simulations to create high-fidelity models relating permeability to porosity during oxidation of FiberForm, the carbon fiber preform of the Phenolic Impregnated Carbon Ablator (PICA) often used as a TPS material. The goal of this study is to inform full-scale models and reduce uncertainty in TPS modeling.

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