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1.
Materials (Basel) ; 17(10)2024 May 17.
Artigo em Inglês | MEDLINE | ID: mdl-38793478

RESUMO

We present a macroscale constitutive model that couples magnetism with thermal, elastic, plastic, and damage effects in an Internal State Variable (ISV) theory. Previous constitutive models did not include an interdependence between the internal magnetic (magnetostriction and magnetic flux) and mechanical fields. Although constitutive models explaining the mechanisms behind mechanical deformations caused by magnetization changes have been presented in the literature, they mainly focus on nanoscale structure-property relations. A fully coupled multiphysics macroscale ISV model presented herein admits lower length scale information from the nanoscale and microscale descriptions of the multiphysics behavior, thus capturing the effects of magnetic field forces with isotropic and anisotropic magnetization terms and moments under thermomechanical deformations. For the first time, this ISV modeling framework internally coheres to the kinematic, thermodynamic, and kinetic relationships of deformation using the evolving ISV histories. For the kinematics, a multiplicative decomposition of deformation gradient is employed including a magnetization term; hence, the Jacobian represents the conservation of mass and conservation of momentum including magnetism. The first and second laws of thermodynamics are used to constrain the appropriate constitutive relations through the Clausius-Duhem inequality. The kinetic framework employs a stress-strain relationship with a flow rule that couples the thermal, mechanical, and magnetic terms. Experimental data from the literature for three different materials (iron, nickel, and cobalt) are used to compare with the model's results showing good correlations.

2.
Med Biol Eng Comput ; 59(5): 1065-1079, 2021 May.
Artigo em Inglês | MEDLINE | ID: mdl-33881704

RESUMO

A finite element (FE)-guided mathematical surrogate modeling methodology is presented for evaluating relative injury trends across varied vehicular impact conditions. The prevalence of crash-induced injuries necessitates the quantification of the human body's response to impacts. FE modeling is often used for crash analyses but requires time and computational cost. However, surrogate modeling can predict injury trends between the FE data, requiring fewer FE simulations to evaluate the complete testing range. To determine the viability of this methodology for injury assessment, crash-induced occupant head injury criterion (HIC15) trends were predicted from Kriging models across varied impact velocities (10-45 mph; 16.1-72.4 km/h), locations (near side, far side, front, and rear), and angles (-45 to 45°) and compared to previously published data. These response trends were analyzed to locate high-risk target regions. Impact velocity and location were the most influential factors, with HIC15 increasing alongside the velocity and proximity to the driver. The impact angle was dependent on the location and was minimally influential, often producing greater HIC15 under oblique angles. These model-based head injury trends were consistent with previously published data, demonstrating great promise for the proposed methodology, which provides effective and efficient quantification of human response across a wide variety of car crash scenarios, simultaneously. This study presents a finite element-guided mathematical surrogate modeling methodology to evaluate occupant injury response trends for a wide range of impact velocities (10-45 mph), locations, and angles (-45 to 45°). Head injury response trends were predicted and compared to previously published data to assess the efficacy of the methodology for assessing occupant response to variations in impact conditions. Velocity and location were the most influential factors on the head injury response, with the risk increasing alongside greater impact velocity and locational proximity to the driver. Additionally, the angle of impact variable was dependent on the location and, thus, had minimal independent influence on the head injury risk.


Assuntos
Acidentes de Trânsito , Traumatismos Craniocerebrais , Fenômenos Biomecânicos , Traumatismos Craniocerebrais/epidemiologia , Análise de Elementos Finitos , Cabeça , Humanos
3.
J Mech Behav Biomed Mater ; 119: 104400, 2021 07.
Artigo em Inglês | MEDLINE | ID: mdl-33893020

RESUMO

In this study, ram impacts at 5.5 m/s are simulated through finite element analysis in order to study the mechanical response of the brain. A calibrated internal state variable inelastic constitutive model was implemented into the finite element code to capture the brain behavior. Also, constitutive models for the horns were calibrated to experimental data from dry and wet horn keratin at low and high strain rates. By investigating responses in the different keratin material states that occur in nature, the bounds of the ram brain response are quantified. An acceleration as high as 607 g's was observed, which is an order of magnitude higher than predicted brain injury threshold values. In the most extreme case, the maximum tensile pressure and maximum shear strains in the ram brain were 245 kPa and 0.28, respectively. Because the rams do not appear to sustain injury, these impacts could give insight to the threshold limits of mechanical loading that can be applied to the brain. Following this motivation, the brain injury metric values found in this research could serve as true injury metrics for human head impacts.


Assuntos
Lesões Encefálicas , Encéfalo , Aceleração , Animais , Fenômenos Biomecânicos , Análise de Elementos Finitos , Cabeça , Humanos , Masculino , Ovinos , Estresse Mecânico
4.
Bioinspir Biomim ; 16(3)2021 03 19.
Artigo em Inglês | MEDLINE | ID: mdl-33530070

RESUMO

This study examined natural composite structures within the remarkably strong exoskeleton of the southwestern ironclad beetle (Z. haldemani). Structural and nanomechanical analyses revealed that the exoskeleton's extraordinary resistance to external forces is provided by its exceptional thickness and multi-layered structure, in which each layer performed a distinct function. In detail, the epicuticle, the outmost layer, comprised 3%-5% of the overall thickness with reduced Young's moduli of 2.2-3.2 GPa, in which polygonal-shaped walls (2-3µm in diameter) were observed on the surface. The next layer, the exocuticle, consisted of 17%-20% of the total thickness and exhibited the greatest Young's moduli (∼15 GPa) and hardness (∼800 MPa) values. As such, this layer provided the bulk of the mechanical strength for the exoskeleton. While the endocuticle spanned 70%-75% of the total thickness, it contained lower moduli (∼8-10 GPa) and hardness (∼400 MPa) values than the exocuticle. Instead, this layer may provide flexibility through its specifically organized chitin fiber layers, known as Bouligand structures. Nanoindentation testing further reiterated that the various fibrous layer orientations resulted in different elastic moduli throughout the endocuticle's cross-section. Additionally, this exoskeleton prevented delamination within the composite materials by overlapping approximately 5%-19% of each fibrous stack with neighboring layers. Finally, the innermost layer, the epidermis contributing 5%-7 % of the total thickness, contains attachment sites for muscle and soft tissue that connect the exoskeleton to the beetle. As such, it is the softest region with reduced Young's modulus of ∼2-3 GPa and hardness values of ∼290 MPa. These findings can be applied to the development of innovative, fiber-reinforced composite materials.


Assuntos
Besouros , Exoesqueleto Energizado , Animais , Módulo de Elasticidade , Dureza
5.
Comput Methods Biomech Biomed Engin ; 24(11): 1169-1183, 2021 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-33635182

RESUMO

Chronic Traumatic Encephalopathy (CTE) affects a significant portion of athletes in contact sports but is difficult to quantify using clinical examinations and modeling approaches. We use an in silico approach to quantify CTE biomechanics using mesoscale Finite Element (FE) analysis that bridges with macroscale whole head FE analysis. The sulci geometry produces complex stress waves that interact with one another to create increased shear stresses at the sulci depth that are significantly larger than in analyses without sulci (from 0.5 to 18.0 kPa). Sulci peak stress concentration regions coincide with experimentally observed CTE sites documented in the literature. HighlightsSulci introduce stress localizations at their depth in the gray matterSulci stress fields interact to produce stress concentration sites in white matterDifferentiating brain tissue properties did not significantly affect peak stresses.


Assuntos
Encefalopatia Traumática Crônica , Esportes , Encéfalo , Análise de Elementos Finitos , Cabeça , Humanos
6.
Ann Biomed Eng ; 47(9): 1873-1888, 2019 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-31372858

RESUMO

A mechanics-based brain damage framework is used to model the abnormal accumulation of hyperphosphorylated p-tau associated with chronic traumatic encephalopathy within the brains of deceased National Football League (NFL) players studied at Boston University and to provide a framework for understanding the damage mechanisms. p-tau damage is formulated as the multiplicative decomposition of three independently evolving damage internal state variables (ISVs): nucleation related to number density, growth related to the average area, and coalescence related to the nearest neighbor distance. The ISVs evolve under different rates for three well known mechanical boundary conditions, which in themselves introduce three different rates making a total of nine scenarios, that we postulate are related to brain damage progression: (1) monotonic overloads, (2) cyclic fatigue which corresponds to repetitive impacts, and (3) creep which is correlated to damage accumulation over time. Different NFL player positions are described to capture the different types of damage progression. Skill position players, such as quarterbacks, are expected to exhibit a greater p-tau protein accumulation during low cycle fatigue (higher amplitude impacts with a lesser number), and linemen who exhibit a greater p-tau protein accumulation during high cycle fatigue (lower amplitude impacts with a greater number of impacts). This mechanics-based damage framework presents a foundation for developing a multiscale model for traumatic brain injury that combines mechanics with biology.


Assuntos
Lesões Encefálicas/metabolismo , Encéfalo/metabolismo , Futebol Americano/lesões , Modelos Biológicos , Proteínas tau/metabolismo , Adulto , Idoso , Humanos , Masculino , Pessoa de Meia-Idade
7.
J Biomol Struct Dyn ; 37(5): 1346-1359, 2019 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-29629830

RESUMO

Continuum finite element material models used for traumatic brain injury lack local injury parameters necessitating nanoscale mechanical injury mechanisms be incorporated. One such mechanism is membrane mechanoporation, which can occur during physical insults and can be devastating to cells, depending on the level of disruption. The current study investigates the strain state dependence of phospholipid bilayer mechanoporation and failure. Using molecular dynamics, a simplified membrane, consisting of 72 1-palmitoyl-2-oleoyl-phosphatidylcholine (POPC) phospholipids, was subjected to equibiaxial, 2:1 non-equibiaxial, 4:1 non-equibiaxial, strip biaxial, and uniaxial tensile deformations at a von Mises strain rate of 5.45 × 108 s-1, resulting in velocities in the range of 1 to 4.6 m·s-1. A water bridge forming through both phospholipid bilayer leaflets was used to determine structural failure. The stress magnitude, failure strain, headgroup clustering, and damage responses were found to be strain state-dependent. The strain state order of detrimentality in descending order was equibiaxial, 2:1 non-equibiaxial, 4:1 non-equibiaxial, strip biaxial, and uniaxial. The phospholipid bilayer failed at von Mises strains of .46, .47, .53, .77, and 1.67 during these respective strain path simulations. Additionally, a Membrane Failure Limit Diagram (MFLD) was created using the pore nucleation, growth, and failure strains to demonstrate safe and unsafe membrane deformation regions. This MFLD allowed representative equations to be derived to predict membrane failure from in-plane strains. These results provide the basis to implement a more accurate mechano-physiological internal state variable continuum model that captures lower length scale damage and will aid in developing higher fidelity injury models.


Assuntos
Fenômenos Biomecânicos , Bicamadas Lipídicas/química , Simulação de Dinâmica Molecular , Fosfatidilcolinas/química , Algoritmos , Modelos Teóricos , Fosfolipídeos/química
8.
J Biomech Eng ; 140(7)2018 07 01.
Artigo em Inglês | MEDLINE | ID: mdl-29715364

RESUMO

In this study, the damage evolution of liver tissue was quantified at the microstructural level under tensile, compression, and shear loading conditions using an interrupted mechanical testing method. To capture the internal microstructural changes in response to global deformation, the tissue samples were loaded to different strain levels and chemically fixed to permanently preserve the deformed tissue geometry. Tissue microstructural alterations were analyzed to quantify the accumulated damages, with damage-related parameters such as number density, area fraction, mean area, and mean nearest neighbor distance (NND). All three loading states showed a unique pattern of damage evolution, in which the damages were found to increase in number and size, but decrease in NND as strain level increased. To validate the observed damage features as true tissue microstructural damages, more samples were loaded to the above-mentioned strain levels and then unloaded back to their reference state, followed by fixation. The most major damage-relevant features at higher strain levels remained after the release of the external loading, indicating the occurrence of permanent inelastic deformation. This study provides a foundation for future structure-based constitutive material modeling that can capture and predict the stress-state dependent damage evolution in liver tissue.


Assuntos
Força Compressiva , Fígado/citologia , Teste de Materiais , Resistência ao Cisalhamento , Estresse Mecânico , Animais , Fenômenos Biomecânicos , Suínos , Resistência à Tração
9.
Arch Oral Biol ; 89: 1-8, 2018 May.
Artigo em Inglês | MEDLINE | ID: mdl-29407634

RESUMO

OBJECTIVES: This paper studies A. probatocephalus teeth and investigates the mechanical properties and chemical composition of the enameloid and dentin. DESIGN: Nanoindentation tests with a max load of 1000 µN and X-ray Energy Dispersive Spectroscopy (EDS) were performed along the diameter of the polished sample. Microstructural analysis of the dentin tubules was performed from SEM images. RESULTS: From nanoindentation testing, the dentin of the sheepshead teeth has a nanoindentation hardness of 0.89 ±â€¯0.21 (mean ±â€¯S.D.) GPa and a reduced Young's modulus of 23.29 ±â€¯5.30 GPa. The enameloid of A. probatocephalus has a hardness of 4.36 ±â€¯0.44 GPa and a mean reduced Young's modulus of 98.14 ±â€¯6.91 GPa. Additionally, nanoindentation tests showed that the enameloid's hardness and modulus increased closer to the surface of the tooth. X-ray Energy Dispersive Spectroscopy (EDS) data further suggests that the gradient may be a result of the wt% fluoride within the enameloid, where an increase in fluoride results in an increase in reduced Young's modulus and hardness. CONCLUSION: The microstructural characterization of the number density and area of the dentin tubules were used to address the porosity effect in the dentin to achieve the experimentally validated microhardness. The mechanical properties of the sheepshead teeth were also compared with previous nanoindentation tests from other aquatic species. The sheepshead teeth exhibit a greater reduced Young's modulus and hardness compared to shark and piranha teeth.


Assuntos
Dentina/química , Dentina/ultraestrutura , Peixes/anatomia & histologia , Dente/química , Dente/ultraestrutura , Animais , Fenômenos Biomecânicos , Esmalte Dentário/química , Esmalte Dentário/diagnóstico por imagem , Esmalte Dentário/efeitos dos fármacos , Análise do Estresse Dentário , Dentina/diagnóstico por imagem , Dentina/efeitos dos fármacos , Módulo de Elasticidade , Fluoretos/farmacologia , Dureza , Estresse Mecânico , Dente/diagnóstico por imagem , Dente/efeitos dos fármacos
10.
J Vis Exp ; (120)2017 02 19.
Artigo em Inglês | MEDLINE | ID: mdl-28287543

RESUMO

A modified National Operating Committee on Standards for Athletic Equipment (NOCSAE) test method for American football helmet drop impact test standards is presented that would provide better assessment of a helmet's on-field impact performance by including a faceguard on the helmet. In this study, a merger of faceguard and helmet test standards is proposed. The need for a more robust systematic approach to football helmet testing procedures is emphasized by comparing representative results of the Head Injury Criterion (HIC), Severity Index (SI), and peak acceleration values for different helmets at different helmet locations under modified NOCSAE standard drop tower tests. Essentially, these comparative drop test results revealed that the faceguard adds a stiffening kinematic constraint to the shell that lessens total energy absorption. The current NOCSAE standard test methods can be improved to represent on-field helmet hits by attaching the faceguards to helmets and by including two new helmet impact locations (Front Top and Front Top Boss). The reported football helmet test method gives a more accurate representation of a helmet's performance and its ability to mitigate on-field impacts while promoting safer football helmets.


Assuntos
Dispositivos de Proteção da Cabeça , Fenômenos Biomecânicos , Traumatismos Craniocerebrais/prevenção & controle , Futebol Americano , Dispositivos de Proteção da Cabeça/normas , Humanos , Equipamentos Esportivos/normas , Estados Unidos
11.
Acta Biomater ; 48: 300-308, 2017 01 15.
Artigo em Inglês | MEDLINE | ID: mdl-27793720

RESUMO

This paper investigates the effects of moisture, anisotropy, stress state, and strain rate on the mechanical properties of the bighorn sheep (Ovis Canadensis) horn keratin. The horns consist of fibrous keratin tubules extending along the length of the horn and are contained within an amorphous keratin matrix. Samples were tested in the rehydrated (35wt% water) and ambient dry (10wt% water) conditions along the longitudinal and radial directions under tension and compression. Increased moisture content was found to increase ductility and decrease strength, as well as alter the stress state dependent nature of the material. The horn keratin demonstrates a significant strain rate dependence in both tension and compression, and also showed increased energy absorption in the hydrated condition at high strain rates when compared to quasi-static data, with increases of 114% in tension and 192% in compression. Compressive failure occurred by lamellar buckling in the longitudinal orientation followed by shear delamination. Tensile failure in the longitudinal orientation occurred by lamellar delamination combined with tubule pullout and fracture. The structure-property relationships quantified here for bighorn sheep horn keratin can be used to help validate finite element simulations of ram's impacting each other as well as being useful for other analysis regarding horn keratin on other animals. STATEMENT OF SIGNIFICANCE: The horn of the bighorn sheep is an anisotropic composite composed of keratin that is highly sensitive to moisture content. Keratin is also found in many other animals in the form of hooves, claws, beaks, and feathers. Only one previous study contains high rate experimental data, which was performed in the dry condition and only in compression. Considering the bighorn sheep horns' protective role in high speed impacts along with the moisture and strain rate sensitivity, more high strain rate data is needed to fully characterize and model the material. This study provides high strain rate results demonstrating the effects of moisture, anisotropy, and stress state. As a result, the comprehensive data allows modeling efforts to be greatly improved.


Assuntos
Cornos/química , Umidade , Queratinas/química , Estresse Mecânico , Animais , Anisotropia , Fenômenos Biomecânicos , Força Compressiva , Cornos/ultraestrutura , Processamento de Imagem Assistida por Computador , Carneiro da Montanha , Estatística como Assunto , Resistência à Tração
12.
Bioinspir Biomim ; 11(6): 066004, 2016 10 25.
Artigo em Inglês | MEDLINE | ID: mdl-27780157

RESUMO

In this study a woodpecker's hyoid apparatus was characterized to determine its impact mitigation mechanism using finite element (FE) analysis. The woodpecker's hyoid apparatus, comprising bone and muscle, has a unique geometry compared to those of other birds. The hyoid starts at the beak tip, surrounds the woodpecker's skull, and ends at the upper beak/front head intersection while being surrounded by muscle along the whole length. A FE model of the hyoid apparatus was created based on the geometry, microstructure, and mechanical properties garnered from our experimental measurements. We compared the impact mitigation capabilities of the hyoid apparatus with an idealized straight cylinder and a tapered cylinder. The results showed that the hyoid geometry mitigated a greater amount of pressure and impulse compared to the straight or tapered cylinders. The initially applied longitudinal wave lost its strength from attenuation and conversion to transverse shear waves. This is due to the spiral curvature and tapered geometry, which induced lateral displacement in the hyoid bone. The lateral displacement of the bony hyoid induced strains on the adjacent muscle, where the energy dissipated due to the muscle's viscoelasticity. Quantitatively, as the stress wave traveled from the anterior to the posterior end of the hyoid apparatus, its pressure decreased 75% and the associated impulse decreased 84%. The analysis of the woodpecker's hyoid apparatus provides a novel perspective on impact mitigation mediated by a spiral-shaped structure and viscoelastic biocomposite.


Assuntos
Bico/fisiologia , Materiais Biomiméticos , Osso Hioide/fisiologia , Passeriformes/fisiologia , Crânio/fisiologia , Estresse Fisiológico/fisiologia , Animais , Bico/anatomia & histologia , Fenômenos Biomecânicos/fisiologia , Dissecação/métodos , Dissecação/veterinária , Análise de Elementos Finitos , Osso Hioide/anatomia & histologia , Passeriformes/anatomia & histologia , Crânio/anatomia & histologia
13.
J Vis Exp ; (99): e51545, 2015 May 18.
Artigo em Inglês | MEDLINE | ID: mdl-26067742

RESUMO

This study offers a combined experimental and finite element (FE) simulation approach for examining the mechanical behavior of soft biomaterials (e.g. brain, liver, tendon, fat, etc.) when exposed to high strain rates. This study utilized a Split-Hopkinson Pressure Bar (SHPB) to generate strain rates of 100-1,500 sec(-1). The SHPB employed a striker bar consisting of a viscoelastic material (polycarbonate). A sample of the biomaterial was obtained shortly postmortem and prepared for SHPB testing. The specimen was interposed between the incident and transmitted bars, and the pneumatic components of the SHPB were activated to drive the striker bar toward the incident bar. The resulting impact generated a compressive stress wave (i.e. incident wave) that traveled through the incident bar. When the compressive stress wave reached the end of the incident bar, a portion continued forward through the sample and transmitted bar (i.e. transmitted wave) while another portion reversed through the incident bar as a tensile wave (i.e. reflected wave). These waves were measured using strain gages mounted on the incident and transmitted bars. The true stress-strain behavior of the sample was determined from equations based on wave propagation and dynamic force equilibrium. The experimental stress-strain response was three dimensional in nature because the specimen bulged. As such, the hydrostatic stress (first invariant) was used to generate the stress-strain response. In order to extract the uniaxial (one-dimensional) mechanical response of the tissue, an iterative coupled optimization was performed using experimental results and Finite Element Analysis (FEA), which contained an Internal State Variable (ISV) material model used for the tissue. The ISV material model used in the FE simulations of the experimental setup was iteratively calibrated (i.e. optimized) to the experimental data such that the experiment and FEA strain gage values and first invariant of stresses were in good agreement.


Assuntos
Tecido Adiposo/química , Análise de Elementos Finitos , Fígado/química , Tendões/química , Tecido Adiposo/anatomia & histologia , Encéfalo/anatomia & histologia , Química Encefálica , Humanos , Fígado/anatomia & histologia , Fenômenos Mecânicos , Estresse Mecânico , Tendões/anatomia & histologia
14.
J Phys Condens Matter ; 26(44): 445004, 2014 Nov 05.
Artigo em Inglês | MEDLINE | ID: mdl-25273695

RESUMO

In an effort to design novel magnesium (Mg) alloys with high ductility, we present a first principles data based on the Density Functional Theory (DFT). The DFT was employed to calculate the generalized stacking fault energy curves, which can be used in the generalized Peierls-Nabarro (PN) model to study the energetics of basal slip and prismatic slip in Mg with and without solutes to calculate continuum scale dislocation core widths, stacking fault widths and Peierls stresses. The generalized stacking fault energy curves for pure Mg agreed well with other DFT calculations. Solute effects on these curves were calculated for nine alloying elements, namely Al, Ca, Ce, Gd, Li, Si, Sn, Zn and Zr, which allowed the strength and ductility to be qualitatively estimated based on the basal dislocation properties. Based on our multiscale methodology, a suggestion has been made to improve Mg formability.

15.
J R Soc Interface ; 11(96): 20140274, 2014 Jul 06.
Artigo em Inglês | MEDLINE | ID: mdl-24812053

RESUMO

We experimentally studied beaks of the red-bellied woodpecker to elucidate the hierarchical multiscale structure-property relationships. At the macroscale, the beak comprises three structural layers: an outer rhamphotheca layer (keratin sheath), a middle foam layer and an inner bony layer. The area fraction of each layer changes along the length of the beak giving rise to a varying constitutive behaviour similar to functionally graded materials. At the microscale, the rhamphotheca comprises keratin scales that are placed in an overlapping pattern; the middle foam layer has a porous structure; and the bony layer has a big centre cavity. At the nanoscale, a wavy gap between the keratin scales similar to a suture line was evidenced in the rhamphotheca; the middle foam layer joins two dissimilar materials; and mineralized collagen fibres were revealed in the inner bony layer. The nano- and micro-indentation tests revealed that the hardness (associated with the strength, modulus and stiffness) of the rhamphotheca layer (approx. 470 MPa for nano and approx. 320 MPa for micro) was two to three times less than that of the bony layer (approx. 1200 MPa for nano and approx. 630 MPa for micro). When compared to other birds (chicken, finch and toucan), the woodpecker's beak has more elongated keratin scales that can slide over each other thus admitting dissipation via shearing; has much less porosity in the bony layer thus strengthening the beak and focusing the stress wave; and has a wavy suture that admits local shearing at the nanoscale. The analysis of the woodpeckers' beaks provides some understanding of biological structural materials' mechanisms for energy absorption.


Assuntos
Bico/anatomia & histologia , Aves/anatomia & histologia , Animais , Bico/química , Bico/ultraestrutura , Fenômenos Biomecânicos , Dureza , Queratinas/metabolismo , Microscopia Eletrônica de Varredura
16.
Phys Chem Chem Phys ; 16(13): 6233-49, 2014 Apr 07.
Artigo em Inglês | MEDLINE | ID: mdl-24566869

RESUMO

In this work, we developed an interatomic potential for saturated hydrocarbons using the modified embedded-atom method (MEAM), a reactive semi-empirical many-body potential based on density functional theory and pair potentials. We parameterized the potential by fitting to a large experimental and first-principles (FP) database consisting of (1) bond distances, bond angles, and atomization energies at 0 K of a homologous series of alkanes and their select isomers from methane to n-octane, (2) the potential energy curves of H2, CH, and C2 diatomics, (3) the potential energy curves of hydrogen, methane, ethane, and propane dimers, i.e., (H2)2, (CH4)2, (C2H6)2, and (C3H8)2, respectively, and (4) pressure-volume-temperature (PVT) data of a dense high-pressure methane system with the density of 0.5534 g cc(-1). We compared the atomization energies and geometries of a range of linear alkanes, cycloalkanes, and free radicals calculated from the MEAM potential to those calculated by other commonly used reactive potentials for hydrocarbons, i.e., second-generation reactive empirical bond order (REBO) and reactive force field (ReaxFF). MEAM reproduced the experimental and/or FP data with accuracy comparable to or better than REBO or ReaxFF. The experimental PVT data for a relatively large series of methane, ethane, propane, and butane systems with different densities were predicted reasonably well by the MEAM potential. Although the MEAM formalism has been applied to atomic systems with predominantly metallic bonding in the past, the current work demonstrates the promising extension of the MEAM potential to covalently bonded molecular systems, specifically saturated hydrocarbons and saturated hydrocarbon-based polymers. The MEAM potential has already been parameterized for a large number of metallic unary, binary, ternary, carbide, nitride, and hydride systems, and extending it to saturated hydrocarbons provides a reliable and transferable potential for atomistic/molecular studies of complex material phenomena involving hydrocarbon-metal or polymer-metal interfaces, polymer-metal nanocomposites, fracture and failure in hydrocarbon-based polymers, etc. The latter is especially true since MEAM is a reactive potential that allows for dynamic bond formation and bond breaking during simulation. Our results show that MEAM predicts the energetics of two major chemical reactions for saturated hydrocarbons, i.e., breaking a C-C and a C-H bond, reasonably well. However, the current parameterization does not accurately reproduce the energetics and structures of unsaturated hydrocarbons and, therefore, should not be applied to such systems.

17.
J Biomech Eng ; 136(2): 021023, 2014 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-24362893

RESUMO

The present study, through finite element simulations, shows the geometric effects of a bioinspired solid on pressure and impulse mitigation for an elastic, plastic, and viscoelastic material. Because of the bioinspired geometries, stress wave mitigation became apparent in a nonintuitive manner such that potential real-world applications in human protective gear designs are realizable. In nature, there are several toroidal designs that are employed for mitigating stress waves; examples include the hyoid bone on the back of a woodpecker's jaw that extends around the skull to its nose and a ram's horn. This study evaluates four different geometries with the same length and same initial cross-sectional diameter at the impact location in three-dimensional finite element analyses. The geometries in increasing complexity were the following: (1) a round cylinder, (2) a round cylinder that was tapered to a point, (3) a round cylinder that was spiraled in a two dimensional plane, and (4) a round cylinder that was tapered and spiraled in a two-dimensional plane. The results show that the tapered spiral geometry mitigated the greatest amount of pressure and impulse (approximately 98% mitigation) when compared to the cylinder regardless of material type (elastic, plastic, and viscoelastic) and regardless of input pressure signature. The specimen taper effectively mitigated the stress wave as a result of uniaxial deformational processes and an induced shear that arose from its geometry. Due to the decreasing cross-sectional area arising from the taper, the local uniaxial and shear stresses increased along the specimen length. The spiral induced even greater shear stresses that help mitigate the stress wave and also induced transverse displacements at the tip such that minimal wave reflections occurred. This phenomenon arose although only longitudinal waves were introduced as the initial boundary condition (BC). In nature, when shearing occurs within or between materials (friction), dissipation usually results helping the mitigation of the stress wave and is illustrated in this study with the taper and spiral geometries. The combined taper and spiral optimized stress wave mitigation in terms of the pressure and impulse; thus providing insight into the ram's horn design and woodpecker hyoid designs found in nature.


Assuntos
Transferência de Energia/fisiologia , Modelos Biológicos , Espalhamento de Radiação , Som , Vibração , Animais , Força Compressiva/fisiologia , Simulação por Computador , Módulo de Elasticidade/fisiologia , Humanos , Pressão , Resistência ao Cisalhamento/fisiologia , Estresse Mecânico , Resistência à Tração/fisiologia , Viscosidade
18.
Accid Anal Prev ; 55: 232-41, 2013 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-23567214

RESUMO

In this study, we investigated and assessed the dependence of dummy head injury mitigation on the side curtain airbag and occupant distance under a side impact of a Dodge Neon. Full-scale finite element vehicle simulations of a Dodge Neon with a side curtain airbag were performed to simulate the side impact. Owing to the wide range of parameters, an optimal matrix of finite element calculations was generated using the design method of experiments (DOE); the DOE method was performed to independently screen the finite element results and yield the desired parametric influences as outputs. Also, analysis of variance (ANOVA) techniques were used to analyze the finite element results data. The results clearly show that the influence of moving deformable barrier (MDB) strike velocity was the strongest influence parameter on both cases for the head injury criteria (HIC36) and the peak head acceleration, followed by the initial airbag inlet temperature. Interestingly, the initial airbag inlet temperature was only a ~30% smaller influence than the MDB velocity; also, the trigger time was a ~54% smaller influence than the MDB velocity when considering the peak head accelerations. Considering the wide range in MDB velocities used in this study, results of the study present an opportunity for design optimization using the different parameters to help mitigate occupant injury. As such, the initial airbag inlet temperature, the trigger time, and the airbag pressure should be incorporated into vehicular design process when optimizing for the head injury criteria.


Assuntos
Aceleração , Acidentes de Trânsito , Air Bags/efeitos adversos , Traumatismos Craniocerebrais/etiologia , Análise de Variância , Automóveis/normas , Fenômenos Biomecânicos , Desenho de Equipamento , Análise de Elementos Finitos , Humanos , Manequins , Temperatura
19.
Ann Biomed Eng ; 40(10): 2255-65, 2012 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-22581478

RESUMO

Maternal trauma (MT) in automotive collisions is a source of injury, morbidity, and mortality for both mothers and fetuses. The primary associated pathology is placental abruption in which the placenta detaches from the uterus leading to hemorrhaging and termination of pregnancy. In this study, we focused on the differences in placental tissue response to different stress states (tension, compression, and shear) and different strain rates. Human placentas were obtained (n = 11) for mechanical testing and microstructure analysis. Specimens (n = 4+) were tested in compression, tension, and shear, each at three strain rates (nine testing protocols). Microstructure analysis included scanning electron microscopy, histology, and interrupted mechanical tests to observe tissue response to various loading states. Our data showed the greatest stiffness in tension, followed by compression, and then by shear. The study concludes that mechanical behavior of human placenta tissue (i) has a strong stress state dependence and (ii) behaves in a rate dependent manner in all three stress states, which had previously only been shown in tension. Interrupted mechanical tests revealed differences in the morphological microstructure evolution that was driven by the kinematic constraints from the different loading states. Furthermore, these structure-property data can be used to develop high fidelity constitutive models for MT simulations.


Assuntos
Descolamento Prematuro da Placenta/patologia , Descolamento Prematuro da Placenta/fisiopatologia , Acidentes de Trânsito , Placenta/patologia , Placenta/fisiopatologia , Estresse Fisiológico , Adulto , Fenômenos Biomecânicos , Feminino , Humanos , Gravidez , Resistência ao Cisalhamento
20.
J Mech Behav Biomed Mater ; 6: 106-12, 2012 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-22301179

RESUMO

The turtle's shell acts as a protective armor for the animal. By analyzing a turtle shell via finite element analysis, one can obtain the strength and stiffness attributes to help design man-made armor. As such, finite element analysis was performed on a Terrapene carolina box turtle shell. Experimental data from compression tests were generated to provide insight into the scute through-thickness behavior of the turtle shell. Three regimes can be classified in terms of constitutive modeling: linear elastic, perfectly inelastic, and densification regions, where hardening occurs. For each regime, we developed a model that comprises elasticity and densification theory for porous materials and obtained all the material parameters by correlating the model with experimental data. The different constitutive responses arise as the deformation proceeded through three distinctive layers of the turtle shell carapace. Overall, the phenomenological stress-strain behavior is similar to that of metallic foams.


Assuntos
Exoesqueleto , Força Compressiva , Análise de Elementos Finitos , Tartarugas/anatomia & histologia , Animais , Fenômenos Biomecânicos , Biomimética
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