Orientation-based Continuum Damage Models for Rocks

A general formulation of the Helmholtz free energy used in thermodynamics of damage process of rocks is derived within a multi-scale framework. Such a physically-based thermodynamic state potential has a hybrid, discrete/continuum, nature in the sense tha

A pseudo-plastic engagement effect on the toughening of discontinuous fiber-reinforced brittle composites

In brittle composites, such as whisker reinforced ceramics, the sliding of reinforcing fibers against the frictional resistance of matrix is of a pseudo-plastic deformation mechanism. High aspect-ratio whiskers possess larger pseudo-plastic deformation ability but are usually sparse, while, low aspect-ratio ones were distributed widely in the matrix and show low pseudo-plastic deformation ability (engagement effect), also. A comparative investigation was carried out in present study based on a multi-scale network model. The results indicate that the effect of low aspect-ratio whiskers is of most importance. Improving the engagement coefficient by raising the compactness of material seems a more practical way for optimization of discontinuous fiber-reinforced brittle composites in the present technological condition.

Compact difference approximation with consistent boundary condition

For simulating multi-scale complex flow fields it should be noted that all the physical quantities we are interested in must be simulated well. With limitation of the computer resources it is preferred to use high order accurate difference schemes. Because of their high accuracy and small stencil of grid points computational fluid dynamics (CFD) workers pay more attention to compact schemes recently. For simulating the complex flow fields the treatment of boundary conditions at the far field boundary points and near far field boundary points is very important. According to authors' experience and published results some aspects of boundary condition treatment for far field boundary are presented, and the emphasis is on treatment of boundary conditions for the upwind compact schemes. The consistent treatment of boundary conditions at the near boundary points is also discussed. At the end of the paper are given some numerical examples. The computed results with presented method are satisfactory.

Difference schemes on non-uniform mesh and their application

High order accurate schemes are needed to simulate the multi-scale complex flow fields to get fine structures in simulation of the complex flows with large gradient of fluid parameters near the wall, and schemes on non-uniform mesh are desirable for many CFD (computational fluid dynamics) workers. The construction methods of difference approximations and several difference approximations on non-uniform mesh are presented. The accuracy of the methods and the influence of stretch ratio of the neighbor mesh increment on accuracy are discussed. Some comments on these methods are given, and comparison of the accuracy of the results obtained by schemes based on both non-uniform mesh and coordinate transformation is made, and some numerical examples with non-uniform mesh are presented.

“Deborah Numbers”, Coupling Multiple Space and Time Scales and Governing Damage Evolution to Failure

Two different spatial levels are involved concerning damage accumulation to eventual failure. nucleation and growth rates of microdamage nN* and V*. It is found that the trans-scale length ratio c*/L does not directly affect the process. Instead, two independent dimensionless numbers: the trans-scale one * * ( V*)including the * **5 * N c V including mesoscopic parameters only, play the key role in the process of damage accumulation to failure. The above implies that there are three time scales involved in the process: the macroscopic imposed time scale tim = /a and two meso-scopic time scales, nucleation and growth of damage, (* *4) N N t =1 n c and tV=c*/V*. Clearly, the dimensionless number De*=tV/tim refers to the ratio of microdamage growth time scale over the macroscopically imposed time scale. So, analogous to the definition of Deborah number as the ratio of relaxation time over external one in rheology. Let De be the imposed Deborah number while De represents the competition and coupling between the microdamage growth and the macroscopically imposed wave loading. In stress-wave induced tensile failure (spallation) De* < 1, this means that microdamage has enough time to grow during the macroscopic wave loading. Thus, the microdamage growth appears to be the predominate mechanism governing the failure. Moreover, the dimensionless number D* = tV/tN characterizes the ratio of two intrinsic mesoscopic time scales: growth over nucleation. Similarly let D be the “intrinsic Deborah number”. Both time scales are relevant to intrinsic relaxation rather than imposed one. Furthermore, the intrinsic Deborah number D* implies a certain characteristic damage. In particular, it is derived that D* is a proper indicator of macroscopic critical damage to damage localization, like D* ∼ (10–3~10–2) in spallation. More importantly, we found that this small intrinsic Deborah number D* indicates the energy partition of microdamage dissipation over bulk plastic work. This explains why spallation can not be formulated by macroscopic energy criterion and must be treated by multi-scale analysis.

Multiscale Method for Turbulent-Flow Computations

A main method of predicting turbulent flows is to solve LES equations, which was called traditional LES method. The traditional LES method solves the motions of large eddies of size larger than filtering scale An while modeling unresolved scales less than Delta_n. Hughes et al argued that many shortcomings of the traditional LES approaches were associated with their inabilities to successfully differentiate between large and small scales. One may guess that a priori scale-separation would be better, because it can predict scale-interaction well compared with posteriori scale-separation. To this end, a multi-scale method was suggested to perform scale-separation computation. The primary contents of the multiscale method are l) A space average is used to differentiate scale. 2) The basic equations include the large scale equations and fluctuation equations. 3) The large-scale equations and fluctuation equations are coupled through turbulent stress terms. We use the multiscale equations of n=2, i.e., the large and small scale (LSS) equations, to simulate 3-D evolutions of a channel flow and a planar mixing layer flow Some interesting results are given.

Microstructure Evolution of Laser Pulse processed Ductile Iron Surface

Pulsed laser beam was used to modify surface processing for ductile iron. The microstructures of processed specimen were observed using optical microscope (OM). Nanoindentation and micro-hardness of microstructures were measured from surface to inner of sample. The experimental results show that, modification zone is consisted of light melted zone, phase transformation hardening area and transient area. The light melt area is made up of coarse dendrite crystalline with a thickness less than 20um, phase transformation hardening area mainly of laminal or acicular martensite, retained austenite and graphite, i.e. M+A prime+ G. The cow-eye microstructure around graphite sphere always is formed in phase transformation hardening area zone, which consisting of a variety structure with the distance from the surface. So, it maybe as a obvious sign distinguishing modification zone border. Finally, the microstructures evolution of laser pulse processed ductile iron was analyzed coupling with beam energy distribution in space and laser pulse heating procession characteristics. The analysis shows that energy distribution of laser pulse has an important effect on microstructure during laser pulse modified ductile iron. Multi-scale and interlace arrangement are the important features for laser pulse modified ductile iron. Of microstructure.

An integrated approach for evaluating coastal vulnerability in a changing climate

Coastal hazards such as flooding and erosion threaten many coastal communities and ecosystems. With documented increases in both storm frequency and intensity and projected acceleration of sea level rise, incorporating the impacts of climate change and variability into coastal vulnerability assessments is becoming a necessary, yet challenging task. We are developing an integrated approach to probabilistically incorporate the impacts of climate change into coastal vulnerability assessments via a multi-scale, multi-hazard methodology. By examining the combined hazards of episodic flooding/inundation and storm induced coastal change with chronic trends under a range of future climate change scenarios, a quantitative framework can be established to promote more sciencebased decision making in the coastal zone. Our focus here is on an initial application of our method in southern Oregon, United States. (PDF contains 5 pages)

Structure Prediction of G-Protein Coupled Receptors

G-protein coupled receptors (GPCRs) form a large family of proteins and are very important drug targets. They are membrane proteins, which makes computational prediction of their structure challenging. Homology modeling is further complicated by low sequence similarly of the GPCR superfamily.

In this dissertation, we analyze the conserved inter-helical contacts of recently solved crystal structures, and we develop a unified sequence-structural alignment of the GPCR superfamily. We use this method to align 817 human GPCRs, 399 of which are nonolfactory. This alignment can be used to generate high quality homology models for the 817 GPCRs.

To refine the provided GPCR homology models we developed the Trihelix sampling method. We use a multi-scale approach to simplify the problem by treating the transmembrane helices as rigid bodies. In contrast to Monte Carlo structure prediction methods, the Trihelix method does a complete local sampling using discretized coordinates for the transmembrane helices. We validate the method on existing structures and apply it to predict the structure of the lactate receptor, HCAR1. For this receptor, we also build extracellular loops by taking into account constraints from three disulfide bonds. Docking of lactate and 3,5-dihydroxybenzoic acid shows likely involvement of three Arg residues on different transmembrane helices in binding a single ligand molecule.

Protein structure prediction relies on accurate force fields. We next present an effort to improve the quality of charge assignment for large atomic models. In particular, we introduce the formalism of the polarizable charge equilibration scheme (PQEQ) and we describe its implementation in the molecular simulation package Lammps. PQEQ allows fast on the fly charge assignment even for reactive force fields.

Caracterização geomorfométrica multiescala de modelos digitais de terreno.

O estudo das formas de relevo através da geomorfometria ciência que quantifica as superfícies topográficas demanda que múltiplas escalas sejam consideradas simultaneamente. Esse fato soma-se à continuidade espacial inerente à topografia, a qual raramente apresenta limites naturais abruptos, para conceder um caráter vago às formas de relevo. Essa dupla vagueza, no entanto, é raramente abordada de forma explícita em trabalhos científicos que, usualmente, valem-se de limiares e definições subjetivas e arbitrárias para descreverem o relevo. Dentro desse contexto, o trabalho apresenta um método inovador de caracterização geomorfométrica multiescala de modelos digitais de terreno (MDTs). A abordagem proposta baseia-se no método de extração de feições morfométricas de Wood (1996), mas o modifica em um número de maneiras: (i) expandindo o número de classes identificadas; (ii) transformando-o em um sistema fuzzy, cujos conjuntos fuzzy são parametrizados automaticamente e; (iii) limitando localmente a escala máxima de análise de maneira não-supervisionada. Como resultado, obtém-se um mapa de feições fundamentais e um mapa de escalas fundamentais que, juntos, sintetizam a estrutura multiescala das superfícies. Além disso, são produzidos mapas de pertinências fuzzy e de índice de confusão para cada escala analisada, assim como versões multiescala dos mesmos. Para avaliar a transferibilidade e o caráter não-supervisionado do método, foram analisados cinco MDTs oriundos de bases de dados distintas, com diferentes resoluções e extensões espaciais, compreendendo regiões continentais, do fundo dos oceanos e do planeta Marte. Os resultados obtidos foram avaliados em relação à utilização de escalas e parametrizações fixas, atestando a capacidade do método de empreender caracterizações geomorfométricas mais completas do que abordagens convencionais. Duas aplicações foram ainda propostas: a parametrização geomorfométrica multiescala e o desenvolvimento de uma assinatura morfométrica multiescala, demonstrando claros caminhos para a continuidade da pesquisa. Como conclusão geral, não obstante a algumas limitações apontadas, considerou-se que o trabalho apresentado alcançou seu objetivo de prover a caracterização geomorfométrica multiescala de modelos digitais de terreno.

Da crítica à relação sociedadenatureza no ensino de Geografia à crítica da questão ambiental na mídia

O ensino de Geografia defrontase com inúmeros desafios no que compete à formação de cidadãos com efetiva atuação social. Neste estudo, apontase, como um destes desafios, o raciocínio espacial, tendo como ponto de partida a compreensão multiescalar e multifacetada da questão ambiental por meio do reconhecimento dos diversos discursos e significados que permeiam essa questão. A mídia constituise, nos últimos tempos, em expressiva instância para a produção de sentidos e de representações acerca do que vem a constituir esse debate, tendo o docente um papel indispensável na mediação da prática educativa e na problematização dos processos que se pretendem hegemônicos. Considerando essas questões, este estudo discute o movimento a ser estabelecido da crítica à relação sociedadenatureza no ensino de Geografia à crítica da questão ambiental apresentada pela mídia. Para tal, desenvolveuse uma metodologia de pesquisa que, envolvendo professores e alunos, buscou confrontar as concepções e práticas enunciadas como as responsáveis pelo debate ambiental em sala de aula com a questão ambiental difundida pela mídia, sendo observados como principais aspectos: a persistente dicotomia sociedade versus natureza como a principal responsável pela dificuldade de professores e alunos na análise da questão ambiental; o não reconhecimento, por parte dos professores, de que essa dicotomia ainda se faz latente no pensar e no fazer geográfico na escola; a carência de uma mediação pedagógica entre o material da mídia e o conhecimento geográfico incorrendo na não problematização de importantes elementos concernentes à questão ambiental; as informações ambientais da mídia têmse sobreposto ao conhecimento geográfico do ambiente a ser pautado na relação sociedadenatureza; o reprodutivismo dos discursos e representações mediáticos sobre a natureza, o ambiente e o espaço pelos alunos. Portanto, a partir dessas constatações, concluise que as percepções da questão ambiental, deslocadas da compreensão analítica e crítica da relação sociedadenatureza na contemporaneidade, podem conduzir a interpretações fragmentárias e simplificadoras do espaço. Como contrapontos a essa perspectiva, são apresentados aspectos das teorias da complexidade (Edgar Morin) e da totalidade (na concepção geográfica de Milton Santos) como importantes alternativas analíticas para o combate da visão dicotômica homem (sociedade) versus meio (natureza) e, por conseguinte, para o fortalecimento da compreensão do espaço enquanto uma totalidade dialética.

内蒙古锡林河流域空间生态学研究

本文从物种和景观两个组织水平上研究了气候、土壤、地形等自然环境因子和人类活动因子对生物空间分布格局的影响。基于锡林河流域地理信息系统各环境因子的专题数据，利用空间异质性分析方法研究了锡林河流域环境因子的空间分布格局;基于锡林河流域野外调查数据，运用空间异质性分析方法研究了重要物种的空间分布格局，并采用典范对应分析(Canomc Correspondence Analvsis，CCA)方法分析了物种分布与环境因子的关系：基于锡林河流域地理信息系统各环境因子的专题数据，研究了锡林河流域植被斑块的空间格局特征及其与环境因子的关系，并采用典范对应分析方法分析了植被类型组成与环境因子的关系：基于内蒙古草原生态系统定位研究站放牧样地的样方调查数据．采用空间异质性分析方法，研究了放牧压力对物种空间分布格局的影响：基于多年的卫星遥感数据，采用建模和对比等方法，研究了定居放牧方式下植被状况空间变化规律及植被状况时空变化与人类活动、社会经济发展的关系。通过上述分析，得到的主要结论如下： 1、锡林河流域各个环境因子都具有自己的空间特征尺度，共同形成多尺度等级体系，按特征尺度的大小可以分为如下3个组： ·小尺度组(15km左右)：有机暖、全N的较小的特征尺度 ·中尺度组(30～50km)：T1，碳酸钙含量．PER、全N和海拔高度的较小的特征尺度 ·大尺度组(100km左右)：ANNR，PER、全N和海拔高度的较大的特征尺度多尺度等级的生态学意义是它反映生态变量异质斑块的镶嵌和包含特征，环境因子多尺度等级体系反映共性，具有普遍性：反映生态关系，具有生态学意义。 2、对物种空间异质性的Mantel检验和半方差分析得到了一致的结果产即羊草、糙隐子草和星毛萎菱菜在锡林河流域的空间分布呈现随机特征，而大针茅和冷蒿则表现为十分显著的格局特征。按分布格局的显著程度从大到小排列为冷蒿>大针茅>星毛萎菱菜>糙隐子草>羊草。理论半方差图显示大针茅和冷蒿的空间自相关域分别为30．447公里和30公里。物种空间分布格局是受自然条件、人类活动以及它们自身的生理生态特征综合决定的，物种自身的生理生态特征决定了它们对外界环境变化的适应性反应机制，而自然与人类活动这两种因素在空间的交错配置决定了物种适应性反应的方向和程度，从而综合导致物种空间分布格局的形成。 3、对锡林河流域物种分布与环境因子关系的CCA分析和交叉半方差方法分析显示：1)气候因子(11个指标)、土壤性状因子(3个指标)和地形因子(3个指标)对物种分布的贡献率分别为11．2％、9．5％和11％，三者总和为31．7％。2)各个环境因子对物种分布空间作用方向具有一致性，物种分布与环境因子几乎都在135。和157．5。两个方向上具有相对明显的相关性，从锡林河流域来看，这两个方向反映了气候、土壤以及地形从东南往西北的变化梯度方向。 4、对锡林河流域14个植被景观指数进行的PCA分析表明，锡林河流域植被斑块空间分布的物理特征主要表现在斑块的数目和大小方面，其次是在斑块的多样性方面，并可将它们分为4个组，分别反映锡林河流域植被斑块的不同特征： ·第一组：NP、PRD、LPI、MPS、PSSD和TE，主要反映景观斑块在数量和大小方面的特征; ·第二组：SHDI、SIDI、SHEI和SIEI，主要反映景观斑块的多样性特征; ·第三组：PSCV和[J]．主要反映景观斑块之间的相互邻接程度; ·第四组：MSI和AWMSI，主要反映景观斑块的形状特征。 MPS和PSSD两个指数与环境因子无论是在相关系数的性质还是显著程度上都保持了很好的一致性，它们与纬度(LAT)及可能蒸散率(PER)呈极显著的正相关关系，而与经度(LNG)、海拔高度(ALT)、年平均降水量(ANNR)及土壤有机质含量(0RG)呈极显著的负相关关系：平均形状指数(MSI)只与LAT呈显著的正相关关系;多样性指数和扩散毗连指数与任何一个环境因子都没有表现出显著的相关性。 5、锡林河流域植被分布与环境因子的关系CCA排序方法分析表明，气候因子(11个指标)、土壤性状因子(3个指标)和地形因子(3个指标)对植被分布的贡献率分别为19.8%、11.1%和14.5%，三者总和为45.4％。环境因子在植被和物种两个水平上的贡献率表现了相似的特点，自然环境因子不能完全解释植被的空间分布，人类活动的影响应该受到重视。 6、放牧压力对物种空间分布格局的研究表明： ·牧压对温带典型草原物种的空间分布格局有明显的影响。随着牧云的增大，属于原生群落物种的羊草与大针茅空间分布的随机性减小，空间自相关尺度逐渐增大;而对于退化过程中的入侵物种冷蒿和星毛萎菱菜，其空间分布的随机性逐渐增大．空间自相关尺度也呈增大趋势。在牧压胁迫超过一定水平时，冷蒿空间分布的自相关尺度开始下降，而星毛萎菱菜的空间分布格局则表现出强烈的随机性。 ·物种空间格局的变化是反映群落演替过程较为稳定的特征，适用于不同放牧条件下 群落之间的比较。 7、利用遥感数据对人类活动对植被影响的研究表明： ·定居放牧方式下，NDVI随定居点距离的变化格局经历了3个阶段。第一阶段，草场处于原生阶段，NDVI不随距离变化;第二阶段，定居点附近开始局部退化，NDVI随距离增加而增大：第三阶段，退化区域扩大，NDVI不随距离变化。 ·在草场局部退化阶段，NDVI随距离的变化呈对数函数规律，定居点的放牧区具有放牧半径、原生NDVI值、NDVI变化率等特征。根据这些特征、NDVI对数规律以及NDVI与地上生物量的关系可以推测定居点的总载畜量。 ·锡林河流域从87年到85年NDVI值降低最大的区域为流域的中部和南部，这与这一区域人类活动强度以及社会经济发展具有密切关系。

Ultra-structural defects cause low bone matrix stiffness despite high mineralization in osteogenesis imperfecta mice.

Bone is a complex material with a hierarchical multi-scale organization from the molecule to the organ scale. The genetic bone disease, osteogenesis imperfecta, is primarily caused by mutations in the collagen type I genes, resulting in bone fragility. Because the basis of the disease is molecular with ramifications at the whole bone level, it provides a platform for investigating the relationship between structure, composition, and mechanics throughout the hierarchy. Prior studies have individually shown that OI leads to: 1. increased bone mineralization, 2. decreased elastic modulus, and 3. smaller apatite crystal size. However, these have not been studied together and the mechanism for how mineral structure influences tissue mechanics has not been identified. This lack of understanding inhibits the development of more accurate models and therapies. To address this research gap, we used a mouse model of the disease (oim) to measure these outcomes together in order to propose an underlying mechanism for the changes in properties. Our main finding was that despite increased mineralization, oim bones have lower stiffness that may result from the poorly organized mineral matrix with significantly smaller, highly packed and disoriented apatite crystals. Using a composite framework, we interpret the lower oim bone matrix elasticity observed as the result of a change in the aspect ratio of apatite crystals and a disruption of the crystal connectivity.

Separating poroviscoelastic deformation mechanisms in hydrogels

Hydrogels have applications in drug delivery, mechanical actuation, and regenerative medicine. When hydrogels are deformed, load-relaxation arising from fluid flow - poroelasticity - and from rearrangement of the polymer network - viscoelasticity - is observed. The physical mechanisms are different in that poroelastic relaxation varies with experimental length-scale while viscoelastic does not. Here, we show that poroviscoelastic load-relaxation is the product of the two individual responses. The difference in length-scale dependence of the two mechanisms can be exploited to uniquely determine poroviscoelastic properties from simultaneous analysis of multi-scale indentation experiments, providing insight into hydrogel physical behavior. © 2013 American Institute of Physics.