Nonlinear photomechanics of nematic networks: upscaling microscopic behaviour to macroscopic deformation

NASA Astrophysics Data System (ADS)

Chung, Hayoung; Choi, Joonmyung; Yun, Jung-Hoon; Cho, Maenghyo

2016-02-01

A liquid crystal network whose chromophores are functionalized by photochromic dye exhibits light-induced mechanical behaviour. As a result, the micro-scaled thermotropic traits of the network and the macroscopic phase behaviour are both influenced as light alternates the shape of the dyes. In this paper, we present an analysis of this photomechanical behaviour based on the proposed multiscale framework, which incorporates the molecular details of microstate evolution into a continuum-based understanding. The effects of trans-to-cis photoisomerization driven by actinic light irradiation are first examined using molecular dynamics simulations, and are compared against the predictions of the classical dilution model; this reveals certain characteristics of mesogenic interaction upon isomerization, followed by changes in the polymeric structure. We then upscale the thermotropic phase-related information with the aid of a nonlinear finite element analysis; macroscopic deflection with respect to the wide ranges of temperature and actinic light intensity are thereby examined, which reveals that the classical model underestimates the true deformation. This work therefore provides measures for analysing photomechanics in general by bridging the gap between the micro- and macro-scales.

Multimodal and self-healable interfaces enable strong and tough graphene-derived materials

NASA Astrophysics Data System (ADS)

Liu, Yilun; Xu, Zhiping

2014-10-01

Recent studies have shown that graphene-derived materials not only feature outstanding multifunctional properties, but also act as model materials to implant nanoscale structural engineering insights into their macroscopic performance optimization. In this work, we explore strengthening and toughening strategies of this class of materials by introducing multimodal crosslinks, including long, strong and short, self-healable ones. We identify two failure modes by fracturing functionalized graphene sheets or their crosslinks, and the role of brick-and-mortar hierarchy in mechanical enhancement. Theoretical analysis and atomistic simulation results show that multimodal crosslinks synergistically transfer tensile load to enhance the strength, whereas reversible rupture and formation of healable crosslinks improve the toughness. These findings lay the ground for future development of high-performance paper-, fiber- or film-like macroscopic materials from low-dimensional structures with engineerable interfaces.

Multiscale Analysis of Structurally-Graded Microstructures Using Molecular Dynamics, Discrete Dislocation Dynamics and Continuum Crystal Plasticity

NASA Technical Reports Server (NTRS)

Saether, Erik; Hochhalter, Jacob D.; Glaessgen, Edward H.; Mishin, Yuri

2014-01-01

A multiscale modeling methodology is developed for structurally-graded material microstructures. Molecular dynamic (MD) simulations are performed at the nanoscale to determine fundamental failure mechanisms and quantify material constitutive parameters. These parameters are used to calibrate material processes at the mesoscale using discrete dislocation dynamics (DD). Different grain boundary interactions with dislocations are analyzed using DD to predict grain-size dependent stress-strain behavior. These relationships are mapped into crystal plasticity (CP) parameters to develop a computationally efficient finite element-based DD/CP model for continuum-level simulations and complete the multiscale analysis by predicting the behavior of macroscopic physical specimens. The present analysis is focused on simulating the behavior of a graded microstructure in which grain sizes are on the order of nanometers in the exterior region and transition to larger, multi-micron size in the interior domain. This microstructural configuration has been shown to offer improved mechanical properties over homogeneous coarse-grained materials by increasing yield stress while maintaining ductility. Various mesoscopic polycrystal models of structurally-graded microstructures are generated, analyzed and used as a benchmark for comparison between multiscale DD/CP model and DD predictions. A final series of simulations utilize the DD/CP analysis method exclusively to study macroscopic models that cannot be analyzed by MD or DD methods alone due to the model size.

Individual-specific multi-scale finite element simulation of cortical bone of human proximal femur

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

Ascenzi, Maria-Grazia, E-mail: mgascenzi@mednet.ucla.edu; Kawas, Neal P., E-mail: nealkawas@ucla.edu; Lutz, Andre, E-mail: andre.lutz@hotmail.de

2013-07-01

We present an innovative method to perform multi-scale finite element analyses of the cortical component of the femur using the individual’s (1) computed tomography scan; and (2) a bone specimen obtained in conjunction with orthopedic surgery. The method enables study of micro-structural characteristics regulating strains and stresses under physiological loading conditions. The analysis of the micro-structural scenarios that cause variation of strain and stress is the first step in understanding the elevated strains and stresses in bone tissue, which are indicative of higher likelihood of micro-crack formation in bone, implicated in consequent remodeling or macroscopic bone fracture. Evidence that micro-structuremore » varies with clinical history and contributes in significant, but poorly understood, ways to bone function, motivates the method’s development, as does need for software tools to investigate relationships between macroscopic loading and micro-structure. Three applications – varying region of interest, bone mineral density, and orientation of collagen type I, illustrate the method. We show, in comparison between physiological loading and simple compression of a patient’s femur, that strains computed at the multi-scale model’s micro-level: (i) differ; and (ii) depend on local collagen-apatite orientation and degree of calcification. Our findings confirm the strain concentration role of osteocyte lacunae, important for mechano-transduction. We hypothesize occurrence of micro-crack formation, leading either to remodeling or macroscopic fracture, when the computed strains exceed the elastic range observed in micro-structural testing.« less

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.

Multi-scale structural analysis of gas diffusion layers

NASA Astrophysics Data System (ADS)

Göbel, Martin; Godehardt, Michael; Schladitz, Katja

2017-07-01

The macroscopic properties of materials are strongly determined by their micro structure. Here, transport properties of gas diffusion layers (GDL) for fuel cells are considered. In order to simulate flow and thermal properties, detailed micro structural information is essential. 3D images obtained by high-resolution computed tomography using synchrotron radiation and scanning electron microscopy (SEM) combined with focused ion beam (FIB) serial slicing were used. A recent method for reconstruction of porous structures from FIB-SEM images and sophisticated morphological image transformations were applied to segment the solid structural components. The essential algorithmic steps for segmenting the different components in the tomographic data-sets are described and discussed. In this paper, two types of GDL, based on a non-woven substrate layer and a paper substrate layer were considered, respectively. More than three components are separated within the synchrotron radiation computed tomography data. That is, fiber system, polytetrafluoroethylene (PTFE) binder/impregnation, micro porous layer (MPL), inclusions within the latter, and pore space are segmented. The usage of the thus derived 3D structure data in different simulation applications can be demonstrated. Simulations of macroscopic properties such as thermal conductivity, depending on the flooding state of the GDL are possible.

Neutron irradiation and high temperature effects on amorphous Fe-based nano-coatings on steel - A macroscopic assessment

NASA Astrophysics Data System (ADS)

Simos, N.; Zhong, Z.; Dooryhee, E.; Ghose, S.; Gill, S.; Camino, F.; Şavklıyıldız, İ.; Akdoğan, E. K.

2017-06-01

The study revealed that loss of ductility in an amorphous Fe-alloy coating on a steel substrate composite structure was essentially prevented from occurring, following radiation with modest neutron doses of ∼2 × 1018 n/cm2. At the higher neutron dose of ∼2 × 1019, macroscopic stress-strain analysis showed that the amorphous Fe-alloy nanostructured coating, while still amorphous, experienced radiation-induced embrittlement, no longer offering protection against ductility loss in the coating-substrate composite structure. Neutron irradiation in a corrosive environment revealed exemplary oxidation/corrosion resistance of the amorphous Fe-alloy coating, which is attributed to the formation of the Fe2B phase in the coating. To establish the impact of elevated temperatures on the amorphous-to-crystalline transition in the amorphous Fe-alloy, electron microscopy was carried out which confirmed the radiation-induced suppression of crystallization in the amorphous Fe-alloy nanostructured coating.

A Laterally-Mobile Mixed Polymer/Polyelectrolyte Brush Undergoes a Macroscopic Phase Separation

NASA Astrophysics Data System (ADS)

Lee, Hoyoung; Park, Hae-Woong; Tsouris, Vasilios; Choi, Je; Mustafa, Rafid; Lim, Yunho; Meron, Mati; Lin, Binhua; Won, You-Yeon

2013-03-01

We studied mixed PEO and PDMAEMA brushes. The question we attempted to answer was: When the chain grafting points are laterally mobile, how will this lateral mobility influence the structure and phase behavior of the mixed brush? Two different model mixed PEO/PDMAEMA brush systems were prepared: a mobile mixed brush by spreading a mixture of two diblock copolymers, PEO-PnBA and PDMAEMA-PnBA, onto the air-water interface, and an inseparable mixed brush using a PEO-PnBA-PDMAEMA triblock copolymer having respective brush molecular weights matched to those of the diblock copolymers. These two systems were investigated by surface pressure-area isotherm, X-ray reflectivity and AFM imaging measurements. The results suggest that the mobile mixed brush undergoes a lateral macroscopic phase separation at high chain grafting densities, whereas the inseparable system is only microscopically phase separated under comparable brush density conditions. We also conducted an SCF analysis of the phase behavior of the mixed brush system. This analysis further supported the experimental findings. The macroscopic phase separation observed in the mobile system is in contrast to the microphase separation behavior commonly observed in two-dimensional laterally-mobile small molecule mixtures.

Macro and micro analysis of small molecule diffusion in amorphous polymers

NASA Astrophysics Data System (ADS)

Putta, Santosh Krishna

In this study, both macroscopic and microscopic numerical techniques have been explored, to model and understand the diffusion behavior of small molecules in amorphous polymers, which very often do not follow the classical Fickian law. It was attempted to understand the influence of various aspects of the molecular structure of a polymer on its macroscopic diffusion behavior. At the macroscopic level, a hybrid finite-element/finite-difference model is developed to implement the coupled diffusion and deformation constitutive equations. A viscoelasticity theory, combined with time-freevolume superposition is used to model the deformation processes. A freevolume-based model is used to model the diffusion processes. The freevolume in the polymer is used as a coupling factor between the deformation and the diffusion processes. The model is shown to qualitatively describe some of the typical non-Fickian diffusion behavior in polymers. However, it does not directly involve the microstructure of a polymer. Further, some of the input parameters to the model are difficult to obtain experimentally. A numerical microscopic approach is therefore adopted to study the molecular structure of polymers. A molecular mechanics and dynamics technique combined with a modified Rotational Isomeric State (RIS) approach, is followed to generate the molecular structure for two types of polycarbonates, and, two types of polyacrylates, starting only with their chemical structures. A new efficient 3-D algorithm for Delaunay Tessellation is developed, and, then applied to discretize the molecular structure into Delaunay Tetrahedra. By using the dicretized molecular structure, size, shape, and, connectivity of free-spaces for small molecule diffusion in the above mentioned polymers, are then studied in relation to their diffusion properties. The influence of polymer and side chain flexibility, and diffusant-diffusant and diffusant-polymer molecular interactions, is also discussed with respect to the diffusion properties.

Effect of unilateral extraction of molar teeth on suprahyoid muscles: macroscopic and ultrastructural aspects.

PubMed

Iyomasa, Mamie Mizusaki; Issa, João Paulo Mardegan; Siéssere, Selma; Regalo, Simone Cecílio Hallak; Watanabe, Ii-sei

2008-12-01

Anatomical and physiologic components are parts of the stomatognathic system and their interaction results in integrated functional activities. Important alterations in the masticatory system originated by dental loss affect the bone, oral mucosa and muscular function. Dental arch structures specifically designed to receive and expose teeth allow performance of their functions. But the distinction between bony and soft tissues is lost when teeth are removed since there is not a specific function to be completed. The aim of this study was to evaluate the macroscopic and ultrastructural effects of the unilateral extraction of molar teeth on the suprahyoid muscles function, using twenty young male gerbils (Meriones unguiculatus) as the experimental animal model. They were divided in experimental malocclusion (n=10) and control (n=10) groups. The experimental malocclusion group was submitted to exodontia of the left upper molars and the control group was not submitted to this procedure and served as sham-operated. For macroscopic analysis of the suprahyoid muscle, the skin was uplifted and the muscles dissected individually and removed for weight analysis according to Scherle method. The electron microscopy analysis was made in ultra thin sections of small suprahyoid muscle fragments from the experimental and control groups, examined in a Jeol 1010, 880 Kv transmission electron microscope. Several micrographs at magnifications of 3000x, 6000x, 30,000x were randomly selected for the qualitative analysis of the muscle fiber ultrastructures. Sixty days after the induced unilateral occlusal alteration no macroscopic morphologic changes was detected in the suprahyoid muscles and the muscle volume differences between the right and left sides and between groups were not significant. However, in the ultrastructural analysis suprahyoid muscles showed characteristics of specific adaptation to the unilateral occlusal alteration, by the reduced density of subsarcolemmal mitochondria and the shorter and less numerous ramifications in intermyofibrilar mitochondria localized between electronlucid myofibrils. It is concluded that unilateral exodontia of all the upper left molars affect the ultrastructural morphology of suprahyoid muscle fibers.

A damage mechanics based approach to structural deterioration and reliability

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

Bhattcharya, B.; Ellingwood, B.

1998-02-01

Structural deterioration often occurs without perceptible manifestation. Continuum damage mechanics defines structural damage in terms of the material microstructure, and relates the damage variable to the macroscopic strength or stiffness of the structure. This enables one to predict the state of damage prior to the initiation of a macroscopic flaw, and allows one to estimate residual strength/service life of an existing structure. The accumulation of damage is a dissipative process that is governed by the laws of thermodynamics. Partial differential equations for damage growth in terms of the Helmholtz free energy are derived from fundamental thermodynamical conditions. Closed-form solutions tomore » the equations are obtained under uniaxial loading for ductile deformation damage as a function of plastic strain, for creep damage as a function of time, and for fatigue damage as function of number of cycles. The proposed damage growth model is extended into the stochastic domain by considering fluctuations in the free energy, and closed-form solutions of the resulting stochastic differential equation are obtained in each of the three cases mentioned above. A reliability analysis of a ring-stiffened cylindrical steel shell subjected to corrosion, accidental pressure, and temperature is performed.« less

Modélisation macroscopique des milieux stratifiés conducteurs

NASA Astrophysics Data System (ADS)

Matagne, E.; Conard, J. Ph.

1997-11-01

Many laminated structures are recognised in Electrotechnics : magnetic cores, flat conductors windings, slotted surfaces... These structures exhibit macroscopic properties, as magnetic than electric ones. This paper shows how these characteristics can be obtained by homogenisation. It deals with linear materials but taking into account the effect of eddy currents, as well on the macroscopic magnetic permeability as on the macroscopic electric conductivity, which become then complex numbers. An example of use of the macroscopic properties is provided. On peut identifier en électrotechnique de nombreuses structures stratifiées: noyaux magnétiques, bobinages formés de conducteurs plats, surfaces encochées... Ces structures présentent des propriétés macroscopiques tant magnétiques qu'électriques. Cet article montre comment ces caractéristiques peuvent être obtenues par homogénéisation. Il se limite au cas de matériaux linéaires mais en prenant en compte l'effet des courants de Foucault aussi bien sur la perméabilité magnétique macroscopique que sur la conductivité électrique macroscopique, grandeurs qui deviennent alors des nombres complexes. Un exemple d'utilisation des caractéristiques macroscopiques est fourni.

Sensitivity analysis of a sound absorption model with correlated inputs

NASA Astrophysics Data System (ADS)

Chai, W.; Christen, J.-L.; Zine, A.-M.; Ichchou, M.

2017-04-01

Sound absorption in porous media is a complex phenomenon, which is usually addressed with homogenized models, depending on macroscopic parameters. Since these parameters emerge from the structure at microscopic scale, they may be correlated. This paper deals with sensitivity analysis methods of a sound absorption model with correlated inputs. Specifically, the Johnson-Champoux-Allard model (JCA) is chosen as the objective model with correlation effects generated by a secondary micro-macro semi-empirical model. To deal with this case, a relatively new sensitivity analysis method Fourier Amplitude Sensitivity Test with Correlation design (FASTC), based on Iman's transform, is taken into application. This method requires a priori information such as variables' marginal distribution functions and their correlation matrix. The results are compared to the Correlation Ratio Method (CRM) for reference and validation. The distribution of the macroscopic variables arising from the microstructure, as well as their correlation matrix are studied. Finally the results of tests shows that the correlation has a very important impact on the results of sensitivity analysis. Assessment of correlation strength among input variables on the sensitivity analysis is also achieved.

Advancing multiscale structural mapping of the brain through fluorescence imaging and analysis across length scales

PubMed Central

Hogstrom, L. J.; Guo, S. M.; Murugadoss, K.; Bathe, M.

2016-01-01

Brain function emerges from hierarchical neuronal structure that spans orders of magnitude in length scale, from the nanometre-scale organization of synaptic proteins to the macroscopic wiring of neuronal circuits. Because the synaptic electrochemical signal transmission that drives brain function ultimately relies on the organization of neuronal circuits, understanding brain function requires an understanding of the principles that determine hierarchical neuronal structure in living or intact organisms. Recent advances in fluorescence imaging now enable quantitative characterization of neuronal structure across length scales, ranging from single-molecule localization using super-resolution imaging to whole-brain imaging using light-sheet microscopy on cleared samples. These tools, together with correlative electron microscopy and magnetic resonance imaging at the nanoscopic and macroscopic scales, respectively, now facilitate our ability to probe brain structure across its full range of length scales with cellular and molecular specificity. As these imaging datasets become increasingly accessible to researchers, novel statistical and computational frameworks will play an increasing role in efforts to relate hierarchical brain structure to its function. In this perspective, we discuss several prominent experimental advances that are ushering in a new era of quantitative fluorescence-based imaging in neuroscience along with novel computational and statistical strategies that are helping to distil our understanding of complex brain structure. PMID:26855758

Strain-Detecting Composite Materials

NASA Technical Reports Server (NTRS)

Wallace, Terryl A. (Inventor); Smith, Stephen W. (Inventor); Piascik, Robert S. (Inventor); Horne, Michael R. (Inventor); Messick, Peter L. (Inventor); Alexa, Joel A. (Inventor); Glaessgen, Edward H. (Inventor); Hailer, Benjamin T. (Inventor)

2016-01-01

A composite material includes a structural material and a shape-memory alloy embedded in the structural material. The shape-memory alloy changes crystallographic phase from austenite to martensite in response to a predefined critical macroscopic average strain of the composite material. In a second embodiment, the composite material includes a plurality of particles of a ferromagnetic shape-memory alloy embedded in the structural material. The ferromagnetic shape-memory alloy changes crystallographic phase from austenite to martensite and changes magnetic phase in response to the predefined critical macroscopic average strain of the composite material. A method of forming a composite material for sensing the predefined critical macroscopic average strain includes providing the shape-memory alloy having an austenite crystallographic phase, changing a size and shape of the shape-memory alloy to thereby form a plurality of particles, and combining the structural material and the particles at a temperature of from about 100-700.degree. C. to form the composite material.

Solvable Quantum Macroscopic Motions and Decoherence Mechanisms in Quantum Mechanics on Nonstandard Space

NASA Technical Reports Server (NTRS)

Kobayashi, Tsunehiro

1996-01-01

Quantum macroscopic motions are investigated in the scheme consisting of N-number of harmonic oscillators in terms of ultra-power representations of nonstandard analysis. Decoherence is derived from the large internal degrees of freedom of macroscopic matters.

Structural stability and electronic behaviors of Co1-xOsxSi and macroscopic magnetic susceptibilities of CoSi and OsSi: GGA-PBEsol, GW-approximation and QTAIM investigations

NASA Astrophysics Data System (ADS)

Bouafia, H.; Sahli, B.; Timaoui, M. A.; Djebour, B.; Hiadsi, S.; Abidri, B.

2018-02-01

The present work represents a theoretical investigation based on FP-(L)APW + lo method of structural properties, mechanical stability and electronic properties of Co1-xOsxSi as well as the macroscopic magnetic susceptibilities of CoSi and OsSi. The structural properties such as cell parameter, bulk modulus, internal parameters and total energy of non-magnetic NM, ferromagnetic FM and antiferromagnetic AFM phases were predicted by GGA-PBEsol semilocal functional. The obtained results for CoSi and OsSi are in good agreement with those found previously. The spin, orbital and total macroscopic magnetic susceptibilities of CoSi and OsSi have been estimated and confirmed that these compounds are diamagnetic. The total energy of the ferromagnetic phase of Co1-xOsxSi (with x = 0.25, 0.5 and 0.75) is the lowest indicating that they are ferromagnetic materials. The generalized stability criteria indicate that Co1-xOsxSi maintain their mechanical stabilities under a hydrostatic pressure less than 10 GPa. The electronic properties calculated by GW-approximation indicate that CoSi and Co1-xOsxSi (with x = 0.25, 0.50 and 0.75) are semimetals whereas OsSi is a semiconductor with a pseudo-direct band-gap. The topological analysis by QTAIM and the charge density plots indicate that the strong covalent character is predominant for Cosbnd Si, Ossbnd Si and Cosbnd Os bonds.

Higher-Order Theory for Functionally Graded Materials

NASA Technical Reports Server (NTRS)

Aboudi, J.; Pindera, M. J.; Arnold, Steven M.

2001-01-01

Functionally graded materials (FGM's) are a new generation of engineered materials wherein the microstructural details are spatially varied through nonuniform distribution of the reinforcement phase(s). Engineers accomplish this by using reinforcements with different properties, sizes, and shapes, as well as by interchanging the roles of the reinforcement and matrix phases in a continuous manner (ref. 1). The result is a microstructure that produces continuously or discretely changing thermal and mechanical properties at the macroscopic or continuum scale. This new concept of engineering the material's microstructure marks the beginning of a revolution both in the materials science and mechanics of materials areas since it allows one, for the first time, to fully integrate the material and structural considerations into the final design of structural components. Functionally graded materials are ideal candidates for applications involving severe thermal gradients, ranging from thermal structures in advanced aircraft and aerospace engines to computer circuit boards. Owing to the many variables that control the design of functionally graded microstructures, full exploitation of the FGM's potential requires the development of appropriate modeling strategies for their response to combined thermomechanical loads. Previously, most computational strategies for the response of FGM's did not explicitly couple the material's heterogeneous microstructure with the structural global analysis. Rather, local effective or macroscopic properties at a given point within the FGM were first obtained through homogenization based on a chosen micromechanics scheme and then subsequently used in a global thermomechanical analysis.

Evolutionary transformations of chorioallantoic placental characters in rodentia with special reference to hystricognath species.

PubMed

Mess, Andrea

2003-09-01

The aim of this paper is to reconstruct the evolution of chorioallantoic placental characters in Rodentia. The analysis is based on pre-existing hypotheses of rodent relationships and the tracing of character evolution. Data on 64 rodent species of 49 genera are derived from the literature. New results refer to the hystricognath species Petromus typicus A. Smith, 1831 and Octodon degus (Molina, 1782). This comprehensive analysis confirms that the stem species pattern of Rodentia is characterised by a haemochorial placenta which is divided horizontally. Inside the placental labyrinth, fetal vessels and their trophoblastic external border build up a network through which the maternal blood flows. The trophoblastic tissue is one-layered, syncytial and possess a considerable surface extension. Within Rodentia, evolutionary transformations occurred on the macroscopic as well as the fine structural level. The results suggest that the stem species of Hystricognathi underwent transformations only on the macroscopic level, i.e., forming a ring-shaped arrangement of placental regions with centrally situated maternal arteries and the acquisition of a subplacenta. By contrast, in Muridae the chorioallantoic placenta shows derived features only in regard to the fine structure of the labyrinth, i.e. the interhaemal membrane is modified in composition, and the fetal capillary endothelium is fenestrated. Geomyoidea underwent transformations on both levels. Macroscopically, their placenta is modified into a hillock shape. Microscopically, the interhaemal membrane is formed by the cytotrophoblast. In addition to the mentioned transformations, some aspects of other fetal membrane differentiation in Rodentia are briefly discussed. Copyright 2003 Wiley-Liss, Inc.

One-Dimensional Analysis of Hall Thruster Operating Modes

DTIC Science & Technology

2001-08-01

Hall thruster structure with no screens or other control surfaces makes it difficult to understand the interrelationships which, in the end, localize and shape the various plasma regions existing in the accelerating channel. Since the radial magnetic field is usually shaped with a peak near the channel exit, the plasma structure has often been explained as simply a reflection of the magnetic field distribution. However, this is inadequate to explain the plasma dynamics inside the accelerating channel. We develop a macroscopic model gathering reliability and clarity.

Synchrotron x-ray modification of nanoparticle superlattice formation

NASA Astrophysics Data System (ADS)

Lu, Chenguang; Akey, Austin J.; Herman, Irving P.

2012-09-01

The synchrotron x-ray radiation used to perform small angle x-ray scattering (SAXS) during the formation of three-dimensional nanoparticle superlattices by drop casting nanoparticle solutions affects the structure and the local crystalline order of the resulting films. The domain size decreases due to the real-time SAXS analysis during drying and more macroscopic changes are visible to the eye.

Statistical foundations of liquid-crystal theory: II: Macroscopic balance laws.

PubMed

Seguin, Brian; Fried, Eliot

2013-01-01

Working on a state space determined by considering a discrete system of rigid rods, we use nonequilibrium statistical mechanics to derive macroscopic balance laws for liquid crystals. A probability function that satisfies the Liouville equation serves as the starting point for deriving each macroscopic balance. The terms appearing in the derived balances are interpreted as expected values and explicit formulas for these terms are obtained. Among the list of derived balances appear two, the tensor moment of inertia balance and the mesofluctuation balance, that are not standard in previously proposed macroscopic theories for liquid crystals but which have precedents in other theories for structured media.

Neutron irradiation and high temperature effects on amorphous Fe-based nano-coatings on steel – A macroscopic assessment

DOE PAGES

Simos, N.; Zhong, Z.; Dooryhee, E.; ...

2017-03-23

Here, this study revealed that loss of ductility in an amorphous Fe-alloy coating on a steel substrate composite structure was essentially prevented from occurring, following radiation with modest neutron doses of ~2 x 10 18 n/cm 2. At the higher neutron dose of ~2 x 10 19, macroscopic stress-strain analysis showed that the amorphous Fe-alloy nanostructured coating, while still amorphous, experienced radiation-induced embrittlement, no longer offering protection against ductility loss in the coating-substrate composite structure. Neutron irradiation in a corrosive environment revealed exemplary oxidation/corrosion resistance of the amorphous Fe-alloy coating, which is attributed to the formation of the Fe 2Bmore » phase in the coating. To establish the impact of elevated temperatures on the amorphous-to-crystalline transition in the amorphous Fe-alloy, electron microscopy was carried out which confirmed the radiation-induced suppression of crystallization in the amorphous Fe-alloy nanostructured coating.« less

A Macroscopic Multifractal Analysis of Parabolic Stochastic PDEs

NASA Astrophysics Data System (ADS)

Khoshnevisan, Davar; Kim, Kunwoo; Xiao, Yimin

2018-05-01

It is generally argued that the solution to a stochastic PDE with multiplicative noise—such as \\dot{u}= 1/2 u''+uξ, where {ξ} denotes space-time white noise—routinely produces exceptionally-large peaks that are "macroscopically multifractal." See, for example, Gibbon and Doering (Arch Ration Mech Anal 177:115-150, 2005), Gibbon and Titi (Proc R Soc A 461:3089-3097, 2005), and Zimmermann et al. (Phys Rev Lett 85(17):3612-3615, 2000). A few years ago, we proved that the spatial peaks of the solution to the mentioned stochastic PDE indeed form a random multifractal in the macroscopic sense of Barlow and Taylor (J Phys A 22(13):2621-2626, 1989; Proc Lond Math Soc (3) 64:125-152, 1992). The main result of the present paper is a proof of a rigorous formulation of the assertion that the spatio-temporal peaks of the solution form infinitely-many different multifractals on infinitely-many different scales, which we sometimes refer to as "stretch factors." A simpler, though still complex, such structure is shown to also exist for the constant-coefficient version of the said stochastic PDE.

A Macroscopic Multifractal Analysis of Parabolic Stochastic PDEs

NASA Astrophysics Data System (ADS)

Khoshnevisan, Davar; Kim, Kunwoo; Xiao, Yimin

2018-04-01

It is generally argued that the solution to a stochastic PDE with multiplicative noise—such as \\dot{u}= 1/2 u''+uξ, where {ξ} denotes space-time white noise—routinely produces exceptionally-large peaks that are "macroscopically multifractal." See, for example, Gibbon and Doering (Arch Ration Mech Anal 177:115-150, 2005), Gibbon and Titi (Proc R Soc A 461:3089-3097, 2005), and Zimmermann et al. (Phys Rev Lett 85(17):3612-3615, 2000). A few years ago, we proved that the spatial peaks of the solution to the mentioned stochastic PDE indeed form a random multifractal in the macroscopic sense of Barlow and Taylor (J Phys A 22(13):2621-2626, 1989; Proc Lond Math Soc (3) 64:125-152, 1992). The main result of the present paper is a proof of a rigorous formulation of the assertion that the spatio-temporal peaks of the solution form infinitely-many different multifractals on infinitely-many different scales, which we sometimes refer to as "stretch factors." A simpler, though still complex, such structure is shown to also exist for the constant-coefficient version of the said stochastic PDE.

Goethite surface reactivity: a macroscopic investigation unifying proton, chromate, carbonate, and lead(II) adsorption.

PubMed

Villalobos, Mario; Pérez-Gallegos, Ayax

2008-10-15

The goethite surface structure has been extensively studied, but no convincing quantitative description of its highly variable surface reactivity as inversely related to its specific surface area (SSA) has been found. The present study adds experimental evidence and provides a unified macroscopic explanation to this anomalous behavior from differences in average adsorption capacities, and not in average adsorption affinities. We investigated the chromate anion and lead(II) cation adsorption behavior onto three different goethites with SSA varying from 50 to 94 m(2)/g, and analyzed an extensive set of published anion adsorption and proton charging data for variable SSA goethites. Maximum chromate adsorption was found to occupy on average from 3.1 to 9.7 sites/nm(2), inversely related to SSA. Congruency of oxyanion and Pb(II) adsorption behavior based on fractional site occupancy using these values, and a site density analysis suggest that: (i) ion binding occurs to singly and doubly coordinated sites, (ii) proton binding occurs to singly and triply coordinated sites (ranging from 6.2 to 8 total sites/nm(2), in most cases), and (iii) a predominance of (210) and/or (010) faces explains the high reactivity of low SSA goethites. The results imply that the macroscopic goethite adsorption behavior may be predicted without a need to investigate extensive structural details of each specific goethite of interest.

Bridging Three Orders of Magnitude: Multiple Scattered Waves Sense Fractal Microscopic Structures via Dispersion

NASA Astrophysics Data System (ADS)

Lambert, Simon A.; Näsholm, Sven Peter; Nordsletten, David; Michler, Christian; Juge, Lauriane; Serfaty, Jean-Michel; Bilston, Lynne; Guzina, Bojan; Holm, Sverre; Sinkus, Ralph

2015-08-01

Wave scattering provides profound insight into the structure of matter. Typically, the ability to sense microstructure is determined by the ratio of scatterer size to probing wavelength. Here, we address the question of whether macroscopic waves can report back the presence and distribution of microscopic scatterers despite several orders of magnitude difference in scale between wavelength and scatterer size. In our analysis, monosized hard scatterers 5 μ m in radius are immersed in lossless gelatin phantoms to investigate the effect of multiple reflections on the propagation of shear waves with millimeter wavelength. Steady-state monochromatic waves are imaged in situ via magnetic resonance imaging, enabling quantification of the phase velocity at a voxel size big enough to contain thousands of individual scatterers, but small enough to resolve the wavelength. We show in theory, experiments, and simulations that the resulting coherent superposition of multiple reflections gives rise to power-law dispersion at the macroscopic scale if the scatterer distribution exhibits apparent fractality over an effective length scale that is comparable to the probing wavelength. Since apparent fractality is naturally present in any random medium, microstructure can thereby leave its fingerprint on the macroscopically quantifiable power-law exponent. Our results are generic to wave phenomena and carry great potential for sensing microstructure that exhibits intrinsic fractality, such as, for instance, vasculature.

A quantitative link between microplastic instability and macroscopic deformation behaviors in metallic glasses

NASA Astrophysics Data System (ADS)

Wu, Y.; Chen, G. L.; Hui, X. D.; Liu, C. T.; Lin, Y.; Shang, X. C.; Lu, Z. P.

2009-10-01

Based on mechanical instability of individual shear transformation zones (STZs), a quantitative link between the microplastic instability and macroscopic deformation behavior of metallic glasses was proposed. Our analysis confirms that macroscopic metallic glasses comprise a statistical distribution of STZ embryos with distributed values of activation energy, and the microplastic instability of all the individual STZs dictates the macroscopic deformation behavior of amorphous solids. The statistical model presented in this paper can successfully reproduce the macroscopic stress-strain curves determined experimentally and readily be used to predict strain-rate effects on the macroscopic responses with the availability of the material parameters at a certain strain rate, which offer new insights into understanding the actual deformation mechanism in amorphous solids.

Macroscopic inhomogeneous deformation behavior arising in single crystal Ni-Mn-Ga foils under tensile loading

NASA Astrophysics Data System (ADS)

Murasawa, Go; Yeduru, Srinivasa R.; Kohl, Manfred

2016-12-01

This study investigated macroscopic inhomogeneous deformation occurring in single-crystal Ni-Mn-Ga foils under uniaxial tensile loading. Two types of single-crystal Ni-Mn-Ga foil samples were examined as-received and after thermo-mechanical training. Local strain and the strain field were measured under tensile loading using laser speckle and digital image correlation. The as-received sample showed a strongly inhomogeneous strain field with intermittence under progressive deformation, but the trained sample result showed strain field homogeneity throughout the specimen surface. The as-received sample is a mainly polycrystalline-like state composed of the domain structure. The sample contains many domain boundaries and large domain structures in the body. Its structure would cause large local strain band nucleation with intermittence. However, the trained one is an ideal single-crystalline state with a transformation preferential orientation of variants after almost all domain boundary and large domain structures vanish during thermo-mechanical training. As a result, macroscopic homogeneous deformation occurs on the trained sample surface during deformation.

Emergence of polysaccharide membrane walls through macro-space partitioning via interfacial instability.

PubMed

Okeyoshi, Kosuke; Okajima, Maiko K; Kaneko, Tatsuo

2017-07-21

Living organisms in drying environments build anisotropic structures and exhibit directionality through self-organization of biopolymers. However, the process of macro-scale assembly is still unknown. Here, we introduce a dissipative structure through a non-equilibrium process between hydration and deposition in the drying of a polysaccharide liquid crystalline solution. By controlling the geometries of the evaporation front in a limited space, multiple nuclei emerge to grow vertical membrane walls with macroscopic orientation. Notably, the membranes are formed through rational orientation of rod-like microassemblies along the dynamic three-phase contact line. Additionally, in the non-equilibrium state, a dissipative structure is ultimately immobilized as a macroscopically partitioned space by multiple vertical membranes. We foresee that such oriented membranes will be applicable to soft biomaterials with direction controllability, and the macroscopic space partitionings will aid in the understanding of the space recognition ability of natural products under drying environments.

Effect of open wedge high tibial osteotomy on the lateral compartment in sheep. Part I: Analysis of the lateral meniscus.

PubMed

Madry, Henning; Ziegler, Raphaela; Orth, Patrick; Goebel, Lars; Ong, Mei Fang; Kohn, Dieter; Cucchiarini, Magali; Pape, Dietrich

2013-01-01

To evaluate whether medial open wedge high tibial osteotomy (HTO) results in structural and biochemical changes in the lateral meniscus in adult sheep. Three experimental groups with biplanar osteotomies of the right proximal tibiae were tested: (a) closing wedge HTO resulting in 4.5° of tibial varus, (b) open wedge HTO resulting in 4.5° of tibial valgus (standard correction) and (c) open wedge HTO resulting in 9.5° of valgus (overcorrection), each of which was compared to the contralateral knees with normal limb axes. After 6 months, the lateral menisci were macroscopically and microscopically evaluated. The proteoglycan and DNA contents of the red-red and white-white zones of the anterior, middle and posterior third were determined. Semiquantitative macroscopic and microscopic grading revealed no structural differences between groups. The red-red zone of the middle third of the lateral menisci of animals that underwent overcorrection exhibited a significant 0.7-fold decrease in mean DNA contents compared with the control knee without HTO (P = 0.012). Comparative estimation of the DNA and proteoglycan contents and proteoglycan/DNA ratios of all other parts and zones of the lateral menisci did not reveal significant differences between groups. Open wedge HTO does not lead to significant macroscopic and microscopic structural changes in the lateral meniscus after 6 months in vivo. Overcorrection significantly decreases the proliferative activity of the cells in the red-red zone of the middle third in the sheep model.

Structural Analysis of Enamel in Teeth from Head-and-Neck Cancer Patients Who Underwent Radiotherapy.

PubMed

Madrid, Cristhian C; de Pauli Paglioni, Mariana; Line, Sergio R; Vasconcelos, Karina G; Brandão, Thaís Bianca; Lopes, Marcio A; Santos-Silva, Alan Roger; De Goes, Mario Fernando

2017-01-01

To analyze macroscopic, microscopic, and ultrastructural aspects of enamel from head-and-neck cancer patients submitted to radiotherapy. Twenty sound extracted permanent molars were used and divided into 2 groups. The experimental group consisted of 10 molars from head-and-neck cancer patients submitted to radiotherapy with total doses that ranged from 50 to 70 Gy. Ten molars from patients who did not receive radiotherapy were matched with experimental-group samples by anatomic tooth group and comprised the control group. To perform a macroscopic analysis, standardized photos of different enamel faces were taken with a camera. Teeth were subjected to longitudinal cuts and hand polished to a final thickness of 0.1 mm. Enamel was analyzed under polarized light microscopy, and optical retardation values of birefringence were calculated in cervical, cusp, and occlusal pit areas. Subsequently, the same enamel areas were analyzed by scanning electron microscopy. Data from optical retardation values were statistically analyzed by 2-way ANOVA and Fisher's test (α < 0.05). No macroscopic differences were observed between the irradiated and control groups. Polarized light microscopy analysis revealed that cervical enamel exhibited darker areas characterized by discrete birefringence patterns compared to the control enamel. Optical retardation values were only significantly different in the cervical enamel of the irradiated and control groups (p < 0.0001). Scanning electron microscopy analysis revealed more evident interprismatic spaces in the cervical and outer cusp enamel of irradiated samples. Head-and-neck radiotherapy reduced optical retardation values of birefringence in cervical enamel, and the interprismatic spaces became more evident. © 2017 S. Karger AG, Basel.

Hierarchical columnar silicon anode structures for high energy density lithium sulfur batteries

NASA Astrophysics Data System (ADS)

Piwko, Markus; Kuntze, Thomas; Winkler, Sebastian; Straach, Steffen; Härtel, Paul; Althues, Holger; Kaskel, Stefan

2017-05-01

Silicon is a promising anode material for next generation lithium secondary batteries. To significantly increase the energy density of state of the art batteries with silicon, new concepts have to be developed and electrode structuring will become a key technology. Structuring is essential to reduce the macroscopic and microscopic electrode deformation, caused by the volume change during cycling. We report pulsed laser structuring for the generation of hierarchical columnar silicon films with outstanding high areal capacities up to 7.5 mAh cm-2 and good capacity retention. Unstructured columnar electrodes form a micron-sized block structure during the first cycle to compensate the volume expansion leading to macroscopic electrode deformation. At increased silicon loading, without additional structuring, pronounced distortion and the formation of cracks through the current collector causes cell failure. Pulsed laser ablation instead is demonstrated to avoid macroscopic electrode deformation by initial formation of the block structure. A full cell with lithiated silicon versus a carbon-sulfur cathode is assembled with only 15% overbalanced anode and low electrolyte amount (8 μl mgsulfur-1). While the capacity retention over 50 cycles is identical to a cell with high excess lithium anode, the volumetric energy density could be increased by 30%.

Surface-enhanced Raman spectroscopy for the analysis of smokeless gunpowders and macroscopic gunshot residues.

PubMed

López-López, María; Merk, Virginia; García-Ruiz, Carmen; Kneipp, Janina

2016-07-01

Gunshot residues (GSR) result from the discharge of a firearm being a potential piece of evidence in criminal investigations. The macroscopic GSR particles are basically formed by burned and non-burned gunpowder. Motivated by the demand of trace analysis of these samples, in this paper, the use of surface-enhanced Raman scattering (SERS) was evaluated for the analysis of gunpowders and macroscopic GSR particles. Twenty-one different smokeless gunpowders were extracted with ethanol. SERS spectra were obtained from the diluted extracts using gold nanoaggregates and an excitation wavelength of 633 nm. They show mainly bands that could be assigned to the stabilizers diphenylamine and ethylcentralite present in the gunpowders. Then, macroscopic GSR particles obtained after firing two different ammunition cartridges on clothing were also measured using the same procedure. SERS allowed the detection of the particles collected with an aluminum stub from cloth targets without interferences from the adhesive carbon. The results demonstrate the great potential of SERS for the analysis of macroscopic GSR particles. Furthermore, they indicate that the grain-to-grain inhomogeneity of the gunpowders needs to be considered. Graphical Abstract SERS allows the detection of GSR particles collected with adhesive stubs from cloth targets using gold nanoaggregates and an excitation wavelength of 633 nm.

Applications of the microdosimetric function implemented in the macroscopic particle transport simulation code PHITS.

PubMed

Sato, Tatsuhiko; Watanabe, Ritsuko; Sihver, Lembit; Niita, Koji

2012-01-01

Microdosimetric quantities such as lineal energy are generally considered to be better indices than linear energy transfer (LET) for expressing the relative biological effectiveness (RBE) of high charge and energy particles. To calculate their probability densities (PD) in macroscopic matter, it is necessary to integrate microdosimetric tools such as track-structure simulation codes with macroscopic particle transport simulation codes. As an integration approach, the mathematical model for calculating the PD of microdosimetric quantities developed based on track-structure simulations was incorporated into the macroscopic particle transport simulation code PHITS (Particle and Heavy Ion Transport code System). The improved PHITS enables the PD in macroscopic matter to be calculated within a reasonable computation time, while taking their stochastic nature into account. The microdosimetric function of PHITS was applied to biological dose estimation for charged-particle therapy and risk estimation for astronauts. The former application was performed in combination with the microdosimetric kinetic model, while the latter employed the radiation quality factor expressed as a function of lineal energy. Owing to the unique features of the microdosimetric function, the improved PHITS has the potential to establish more sophisticated systems for radiological protection in space as well as for the treatment planning of charged-particle therapy.

Materials ``alchemy'': Shape-preserving chemical transformation of micro-to-macroscopic 3-D structures

NASA Astrophysics Data System (ADS)

Sandhage, Kenneth H.

2010-06-01

The scalable fabrication of nano-structured materials with complex morphologies and tailorable chemistries remains a significant challenge. One strategy for such synthesis consists of the generation of a solid structure with a desired morphology (a “preform”), followed by reactive conversion of the preform into a new chemistry. Several gas/solid and liquid/solid reaction processes that are capable of such chemical conversion into new micro-to-nano-structured materials, while preserving the macroscopic-to-microscopic preform morphologies, are described in this overview. Such shape-preserving chemical transformation of one material into another could be considered a modern type of materials “alchemy.”

Multiscale Morphology of Nanoporous Copper Made from Intermetallic Phases

DOE PAGES

Egle, Tobias; Barroo, Cédric; Janvelyan, Nare; ...

2017-07-11

Many application-relevant properties of nanoporous metals critically depend on their multiscale architecture. For example, the intrinsically high step-edge density of curved surfaces at the nanoscale provides highly reactive sites for catalysis, whereas the macroscale pore and grain morphology determines the macroscopic properties, such as mass transport, electrical conductivity, or mechanical properties. Here, in this work, we systematically study the effects of alloy composition and dealloying conditions on the multiscale morphology of nanoporous copper (np-Cu) made from various commercial Zn–Cu precursor alloys. Using a combination of X-ray diffraction, electron backscatter diffraction, and focused ion beam cross-sectional analysis, our results reveal thatmore » the macroscopic grain structure of the starting alloy surprisingly survives the dealloying process, despite a change in crystal structure from body-centered cubic (Zn–Cu starting alloy) to face-centered cubic (Cu). The nanoscale structure can be controlled by the acid used for dealloying with HCl leading to a larger and more faceted ligament morphology compared to that of H 3PO 4. Finally, anhydrous ethanol dehydrogenation was used as a probe reaction to test the effect of the nanoscale ligament morphology on the apparent activation energy of the reaction.« less

Multiscale Morphology of Nanoporous Copper Made from Intermetallic Phases

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

Egle, Tobias; Barroo, Cédric; Janvelyan, Nare

Many application-relevant properties of nanoporous metals critically depend on their multiscale architecture. For example, the intrinsically high step-edge density of curved surfaces at the nanoscale provides highly reactive sites for catalysis, whereas the macroscale pore and grain morphology determines the macroscopic properties, such as mass transport, electrical conductivity, or mechanical properties. Here, in this work, we systematically study the effects of alloy composition and dealloying conditions on the multiscale morphology of nanoporous copper (np-Cu) made from various commercial Zn–Cu precursor alloys. Using a combination of X-ray diffraction, electron backscatter diffraction, and focused ion beam cross-sectional analysis, our results reveal thatmore » the macroscopic grain structure of the starting alloy surprisingly survives the dealloying process, despite a change in crystal structure from body-centered cubic (Zn–Cu starting alloy) to face-centered cubic (Cu). The nanoscale structure can be controlled by the acid used for dealloying with HCl leading to a larger and more faceted ligament morphology compared to that of H 3PO 4. Finally, anhydrous ethanol dehydrogenation was used as a probe reaction to test the effect of the nanoscale ligament morphology on the apparent activation energy of the reaction.« less

From molecular to macroscopic via the rational design of a self-assembled 3D DNA crystal.

PubMed

Zheng, Jianping; Birktoft, Jens J; Chen, Yi; Wang, Tong; Sha, Ruojie; Constantinou, Pamela E; Ginell, Stephan L; Mao, Chengde; Seeman, Nadrian C

2009-09-03

We live in a macroscopic three-dimensional (3D) world, but our best description of the structure of matter is at the atomic and molecular scale. Understanding the relationship between the two scales requires a bridge from the molecular world to the macroscopic world. Connecting these two domains with atomic precision is a central goal of the natural sciences, but it requires high spatial control of the 3D structure of matter. The simplest practical route to producing precisely designed 3D macroscopic objects is to form a crystalline arrangement by self-assembly, because such a periodic array has only conceptually simple requirements: a motif that has a robust 3D structure, dominant affinity interactions between parts of the motif when it self-associates, and predictable structures for these affinity interactions. Fulfilling these three criteria to produce a 3D periodic system is not easy, but should readily be achieved with well-structured branched DNA motifs tailed by sticky ends. Complementary sticky ends associate with each other preferentially and assume the well-known B-DNA structure when they do so; the helically repeating nature of DNA facilitates the construction of a periodic array. It is essential that the directions of propagation associated with the sticky ends do not share the same plane, but extend to form a 3D arrangement of matter. Here we report the crystal structure at 4 A resolution of a designed, self-assembled, 3D crystal based on the DNA tensegrity triangle. The data demonstrate clearly that it is possible to design and self-assemble a well-ordered macromolecular 3D crystalline lattice with precise control.

A surprisingly simple correlation between the classical and quantum structural networks in liquid water

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

Hamm, Peter; Fanourgakis, George S.; Xantheas, Sotiris S.

Nuclear quantum effects in liquid water have profound implications for several of its macroscopic properties related to structure, dynamics, spectroscopy and transport. Although several of water’s macroscopic properties can be reproduced by classical descriptions of the nuclei using potentials effectively parameterized for a narrow range of its phase diagram, a proper account of the nuclear quantum effects is required in order to ensure that the underlying molecular interactions are transferable across a wide temperature range covering different regions of that diagram. When performing an analysis of the hydrogen bonded structural networks in liquid water resulting from the classical (class.) andmore » quantum (q.m.) descriptions of the nuclei with the transferable, flexible, polarizable TTM3-F interaction potential, we found that the two results can be superimposed over the temperature range of T=270-350 K using a surprisingly simple, linear scaling of the two temperatures according to T(q.m.)=aT(class)- T , where a=1.2 and T=51 K. The linear scaling and constant shift of the temperature scale can be considered as a generalization of the previously reported temperature shifts (corresponding to structural changes and the melting T) induced by quantum effects in liquid water.« less

Multiscale global identification of porous structures

NASA Astrophysics Data System (ADS)

Hatłas, Marcin; Beluch, Witold

2018-01-01

The paper is devoted to the evolutionary identification of the material constants of porous structures based on measurements conducted on a macro scale. Numerical homogenization with the RVE concept is used to determine the equivalent properties of a macroscopically homogeneous material. Finite element method software is applied to solve the boundary-value problem in both scales. Global optimization methods in form of evolutionary algorithm are employed to solve the identification task. Modal analysis is performed to collect the data necessary for the identification. A numerical example presenting the effectiveness of proposed attitude is attached.

[Strategy of molecular design of drugs: the unification of macro-properties and micro-structures of a molecule].

PubMed

Guo, Zong-Ru

2008-03-01

The interaction of a drug with the organism involves both the disposition of a drug by the organism and the action of a drug on the organism. The disposition of various exogenous substances, including drugs, complies with general rules. The underlying physical and chemical changes to different drugs in view of time and space, i. e. pharmacokinetics, share common characteristics, that is the tout ensemble of a molecule and its macroscopic properties convey direct effect on the pharmacokinetic behavior as the tendency and consequence of biological evolution. The action of a drug on the organism, on the other hand, implicates the physico-chemical binding of a drug molecule to the target protein, which induces pharmacological and toxicological effects. The biological reactions, no matter beneficial or adverse, are all specific and individual manifestation of the drug molecule and determined by the interactive binding between definitive atoms or groups of the drug molecule and the macromolecular target in three-dimension. Such critical atoms, groups, or fragments responsible for the interaction reflect the microscopic structures of drug molecules and are called pharmacophore. In this context, a drug molecule is presumed as an assembly of macroscopic property and microscopic structure, with the macroscopic properties determining the absorption, distribution, metabolism and elimination of drugs and the microscopic structure coining pharmacological action. The knowledge of the internal relationship between macroscopy/microscopy and PK/PD conduces to comprehension of drug action and guides molecular drug design, because this conception facilitates the identification of structural features necessary for biological response, and the determination of factors modulating the physico-chemical and pharmacokinetic properties. The factors determining macro-properties include molecular weight, solubility, charge, lipophilicity (partition), and polar surface area, etc., which are destined by molecular scaffolds and/or side chain(s) apart from pharmacophore. The features of micro-structures contributing to specific activity contain hydrogen bonding donor and acceptor, positive and negative charge centers, hydrophobic centers and centers of aromatic rings. Different combinations and spacial arrangements of these features determine the distinct activity presented. The macro-property and micro-structure are integrated into a single molecule, and are inseparable. The macro-property reflects overall contribution of atoms and groups in the micro-structure. On the other hand, structural changes aimed to adjust macroscopic property usually alter the relative position of the microscopic structure. The goal of molecular drug design is to integrate the macroscopic and microscopic factors in optimized manner. In the early stage of molecular design, both macroscopic property and microscopic structure should be considered to make pharmacodynamics, pharmacokinetics, and physico-chemical properties in optimal match. Therefore, it required the existence of structural overlapping among acceptable pharmacokinetics, visible developing potential and specific pharmacodynamics. The larger the scope of overlapping, the higher the possibility to be a drug.

Ground testing of bioconvective variables such as morphological characterizations and mechanisms which regulate macroscopic patterns

NASA Technical Reports Server (NTRS)

Johnson, Adriel D.

1992-01-01

Conditions simulating low- and high-gravity, reveal changes in macroscopic pattern formation in selected microorganisms, but whether these structures are gravity dependent is not clear. Two theories have been identified in the fluid dynamics community which support macroscopic pattern formation. The first one is gravity dependent (fluid density models) where small concentrated regions of organisms sink unstably, and the second is gravity independent (wave reinforcement theory) where organisms align their movements in concert, such that either their swimming strokes beat in phase or their vortices entrain neighbors to follow parallel paths. Studies have shown that macroscopic pattern formation is consistent with the fluid density models for protozoa and algae and wave reinforcement hypothesis for caprine spermatozoa.

Rank distributions: A panoramic macroscopic outlook

NASA Astrophysics Data System (ADS)

Eliazar, Iddo I.; Cohen, Morrel H.

2014-01-01

This paper presents a panoramic macroscopic outlook of rank distributions. We establish a general framework for the analysis of rank distributions, which classifies them into five macroscopic "socioeconomic" states: monarchy, oligarchy-feudalism, criticality, socialism-capitalism, and communism. Oligarchy-feudalism is shown to be characterized by discrete macroscopic rank distributions, and socialism-capitalism is shown to be characterized by continuous macroscopic size distributions. Criticality is a transition state between oligarchy-feudalism and socialism-capitalism, which can manifest allometric scaling with multifractal spectra. Monarchy and communism are extreme forms of oligarchy-feudalism and socialism-capitalism, respectively, in which the intrinsic randomness vanishes. The general framework is applied to three different models of rank distributions—top-down, bottom-up, and global—and unveils each model's macroscopic universality and versatility. The global model yields a macroscopic classification of the generalized Zipf law, an omnipresent form of rank distributions observed across the sciences. An amalgamation of the three models establishes a universal rank-distribution explanation for the macroscopic emergence of a prevalent class of continuous size distributions, ones governed by unimodal densities with both Pareto and inverse-Pareto power-law tails.

Rank distributions: a panoramic macroscopic outlook.

PubMed

Eliazar, Iddo I; Cohen, Morrel H

2014-01-01

This paper presents a panoramic macroscopic outlook of rank distributions. We establish a general framework for the analysis of rank distributions, which classifies them into five macroscopic "socioeconomic" states: monarchy, oligarchy-feudalism, criticality, socialism-capitalism, and communism. Oligarchy-feudalism is shown to be characterized by discrete macroscopic rank distributions, and socialism-capitalism is shown to be characterized by continuous macroscopic size distributions. Criticality is a transition state between oligarchy-feudalism and socialism-capitalism, which can manifest allometric scaling with multifractal spectra. Monarchy and communism are extreme forms of oligarchy-feudalism and socialism-capitalism, respectively, in which the intrinsic randomness vanishes. The general framework is applied to three different models of rank distributions-top-down, bottom-up, and global-and unveils each model's macroscopic universality and versatility. The global model yields a macroscopic classification of the generalized Zipf law, an omnipresent form of rank distributions observed across the sciences. An amalgamation of the three models establishes a universal rank-distribution explanation for the macroscopic emergence of a prevalent class of continuous size distributions, ones governed by unimodal densities with both Pareto and inverse-Pareto power-law tails.

Biomineral nanoparticles are space-filling

NASA Astrophysics Data System (ADS)

Yang, Li; Killian, Christopher E.; Kunz, Martin; Tamura, Nobumichi; Gilbert, P. U. P. A.

2011-02-01

Sea urchin biominerals have been shown to form from aggregating nanoparticles of amorphous calcium carbonate (ACC), which then crystallize into macroscopic single crystals of calcite. Here we measure the surface areas of these biominerals and find them to be comparable to those of space-filling macroscopic geologic calcite crystals. These biominerals differ from synthetic mesocrystals, which are invariably porous. We propose that space-filling ACC is the structural precursor for echinoderm biominerals.Sea urchin biominerals have been shown to form from aggregating nanoparticles of amorphous calcium carbonate (ACC), which then crystallize into macroscopic single crystals of calcite. Here we measure the surface areas of these biominerals and find them to be comparable to those of space-filling macroscopic geologic calcite crystals. These biominerals differ from synthetic mesocrystals, which are invariably porous. We propose that space-filling ACC is the structural precursor for echinoderm biominerals. This article was submitted as part of a Themed Issue on Crystallization and Formation Mechanisms of Nanostructures. Other papers on this topic can be found in issue 11 of vol. 2 (2010). This issue can be found from the Nanoscale homepage [http://www.rsc.org/nanoscale

Links between nanoscale and macroscale surface properties of natural root mucilage studied by atomic force microscopy and contact angle.

PubMed

Kaltenbach, Robin; Diehl, Dörte; Schaumann, Gabriele E

2018-04-15

Soil water repellency originating from organic coatings plays a crucial role for soil hydraulics and plant water uptake. Focussing on hydrophobicity in the rhizosphere induced by root-mucilage, this study aims to explore the link between macroscopic wettability and nano-microscopic surface properties. The existing knowledge of the nanostructures of organic soil compounds and its effect on wettability is limited by the lack of a method capable to assess the natural spatial heterogeneity of physical and chemical properties. In this contribution, this task is tackled by a geostatistical approach via variogram analysis of topography and adhesion force data acquired by atomic force microscopy and macroscopic sessile drop measurements on dried films of mucilage. The results are discussed following the wetting models given by Wenzel and Cassie-Baxter. Undiluted mucilage formed homogeneous films on the substrate with contact angles >90°. For diluted samples contact angles were smaller and incomplete mucilage surface coverage with hole-like structures frequently exhibited increased adhesion forces. Break-free distances of force curves indicated enhanced capillary forces due to adsorbed water films at atmospheric RH (35 ± 2%) that promote wettability. Variogram analysis enabled a description of complex surface structures exceeding the capability of comparative visual inspection. Copyright © 2018 Elsevier Inc. All rights reserved.

Influence of C-H···O Hydrogen Bonds on Macroscopic Properties of Supramolecular Assembly.

PubMed

Ji, Wei; Liu, Guofeng; Li, Zijian; Feng, Chuanliang

2016-03-02

For CH···O hydrogen bonds in assembled structures and the applications, one of the critical issues is how molecular spatial structures affect their interaction modes as well as how to translate the different modes into the macroscopic properties of materials. Herein, coumarin-derived isomeric hydrogelators with different spatial structures are synthesized, where only nitrogen atoms locate at the ortho, meso, or para position in the pyridine ring. The gelators can self-assemble into single crystals and nanofibrous networks through CH···O interactions, which are greatly influenced by nitrogen spatial positions in the pyridine ring, leading to the different self-assembly mechanisms, packing modes, and properties of the nanofibrous networks. Typically, different cell proliferation rates are obtained on the different CH···O bonds driving nanofibrous structures, implying that tiny variation of the stereo-position of nitrogen atoms can be sensitively detected by cells. The study paves a novel way to investigate the influence of isomeric molecular assembly on macroscopic properties and functions of materials.

Simulation of cemented granular materials. II. Micromechanical description and strength mobilization at the onset of macroscopic yielding.

PubMed

Estrada, Nicolas; Lizcano, Arcesio; Taboada, Alfredo

2010-07-01

This is the second of two papers investigating the mechanical response of cemented granular materials by means of contact dynamics simulations. In this paper, a two-dimensional polydisperse sample with high void ratio is sheared in a load-controlled simple shear numerical device until the stress state of the sample reaches the yield stress. We first study the stress transmission properties of the granular material in terms of the fabric of different subsets of contacts characterized by the magnitude of their normal forces. This analysis highlights the existence of a peculiar force carrying structure in the cemented material, which is reminiscent of the bimodal stress transmission reported for cohesionless granular media. Then, the evolution of contact forces and torques is investigated trying to identify the micromechanical conditions that trigger macroscopic yielding. It is shown that global failure can be associated to the apparition of a group of particles whose contacts fulfill at least one of the local rupture conditions. In particular, these particles form a large region that percolates through the sample at the moment of failure, evidencing the relationship between macroscopic yielding and the emergence of large-scale correlations in the system.

Identification of phases, symmetries and defects through local crystallography

DOE PAGES

Belianinov, Alex; He, Qian; Kravchenko, Mikhail; ...

2015-07-20

Here we report that advances in electron and probe microscopies allow 10 pm or higher precision in measurements of atomic positions. This level of fidelity is sufficient to correlate the length (and hence energy) of bonds, as well as bond angles to functional properties of materials. Traditionally, this relied on mapping locally measured parameters to macroscopic variables, for example, average unit cell. This description effectively ignores the information contained in the microscopic degrees of freedom available in a high-resolution image. Here we introduce an approach for local analysis of material structure based on statistical analysis of individual atomic neighbourhoods. Clusteringmore » and multivariate algorithms such as principal component analysis explore the connectivity of lattice and bond structure, as well as identify minute structural distortions, thus allowing for chemical description and identification of phases. This analysis lays the framework for building image genomes and structure–property libraries, based on conjoining structural and spectral realms through local atomic behaviour.« less

The "G-Spot" Is Not a Structure Evident on Macroscopic Anatomic Dissection of the Vaginal Wall.

PubMed

Hoag, Nathan; Keast, Janet R; O'Connell, Helen E

2017-12-01

Controversy exists in the literature regarding the presence or absence of an anatomic "G-spot." However, few studies have examined the detailed topographic or histologic anatomy of the putative G-spot location. To determine the anatomy of the anterior vaginal wall and present detailed, systematic, accessible findings from female cadaveric dissections to provide anatomic clarity with respect to this location. Systematic anatomic dissections were performed on 13 female cadavers (32-97 years old, 8 fixed and 5 fresh) to characterize the gross anatomy of the anterior vaginal wall. Digital photography was used to document dissections. Dissection preserved the anterior vaginal wall, urethra, and clitoris. In 9 cadavers, the vaginal epithelial layer was reflected to expose the underlying urethral wall and associated tissues. In 4 cadavers, the vaginal wall was left intact before preservation. Once photographed, 8 specimens were transversely sectioned for macroscopic inspection and histologic examination. The presence or absence of a macroscopic anatomic structure at detailed cadaveric pelvis dissection that corresponds to the previously described G-spot and gross anatomic description of the anterior vaginal wall. Deep to the lining epithelium of the anterior vaginal wall is the urethra. There is no macroscopic structure other than the urethra and vaginal wall lining in the location of the putative G-spot. Specifically, there is no apparent erectile or "spongy" tissue in the anterior vaginal wall, except where the urethra abuts the clitoris distally. The absence of an anatomic structure corresponding to the putative G-spot helps clarify the controversy on this subject. Limitations to this study include limited access to specimens immediately after death and potential for observational bias. In addition, age, medical history, and cause of death are not publishable for privacy reasons. However, it is one of the most thorough and complete anatomic evaluations documenting the anatomic detail of the anterior vaginal wall. The G-spot, in its current description, is not identified as a discrete anatomic entity at macroscopic dissection of the urethra or vaginal wall. Further insights could be provided by histologic study. Hoag N, Keast JR, O'Connell HE. The "G-Spot" Is Not a Structure Evident on Macroscopic Anatomic Dissection of the Vaginal Wall. J Sex Med 2017;14:1524-1532. Copyright © 2017. Published by Elsevier Inc.

Macroscopic damping model for structural dynamics with random polycrystalline configurations

NASA Astrophysics Data System (ADS)

Yang, Yantao; Cui, Junzhi; Yu, Yifan; Xiang, Meizhen

2018-06-01

In this paper the macroscopic damping model for dynamical behavior of the structures with random polycrystalline configurations at micro-nano scales is established. First, the global motion equation of a crystal is decomposed into a set of motion equations with independent single degree of freedom (SDOF) along normal discrete modes, and then damping behavior is introduced into each SDOF motion. Through the interpolation of discrete modes, the continuous representation of damping effects for the crystal is obtained. Second, from energy conservation law the expression of the damping coefficient is derived, and the approximate formula of damping coefficient is given. Next, the continuous damping coefficient for polycrystalline cluster is expressed, the continuous dynamical equation with damping term is obtained, and then the concrete damping coefficients for a polycrystalline Cu sample are shown. Finally, by using statistical two-scale homogenization method, the macroscopic homogenized dynamical equation containing damping term for the structures with random polycrystalline configurations at micro-nano scales is set up.

The Laplacian spectrum of neural networks

PubMed Central

de Lange, Siemon C.; de Reus, Marcel A.; van den Heuvel, Martijn P.

2014-01-01

The brain is a complex network of neural interactions, both at the microscopic and macroscopic level. Graph theory is well suited to examine the global network architecture of these neural networks. Many popular graph metrics, however, encode average properties of individual network elements. Complementing these “conventional” graph metrics, the eigenvalue spectrum of the normalized Laplacian describes a network's structure directly at a systems level, without referring to individual nodes or connections. In this paper, the Laplacian spectra of the macroscopic anatomical neuronal networks of the macaque and cat, and the microscopic network of the Caenorhabditis elegans were examined. Consistent with conventional graph metrics, analysis of the Laplacian spectra revealed an integrative community structure in neural brain networks. Extending previous findings of overlap of network attributes across species, similarity of the Laplacian spectra across the cat, macaque and C. elegans neural networks suggests a certain level of consistency in the overall architecture of the anatomical neural networks of these species. Our results further suggest a specific network class for neural networks, distinct from conceptual small-world and scale-free models as well as several empirical networks. PMID:24454286

Scaling laws and bulk-boundary decoupling in heat flow.

PubMed

del Pozo, Jesús J; Garrido, Pedro L; Hurtado, Pablo I

2015-03-01

When driven out of equilibrium by a temperature gradient, fluids respond by developing a nontrivial, inhomogeneous structure according to the governing macroscopic laws. Here we show that such structure obeys strikingly simple scaling laws arbitrarily far from equilibrium, provided that both macroscopic local equilibrium and Fourier's law hold. Extensive simulations of hard disk fluids confirm the scaling laws even under strong temperature gradients, implying that Fourier's law remains valid in this highly nonlinear regime, with putative corrections absorbed into a nonlinear conductivity functional. In addition, our results show that the scaling laws are robust in the presence of strong finite-size effects, hinting at a subtle bulk-boundary decoupling mechanism which enforces the macroscopic laws on the bulk of the finite-sized fluid. This allows one to measure the marginal anomaly of the heat conductivity predicted for hard disks.

Extraction of Boron Nitride Nanotubes and Fabrication of Macroscopic Articles Using Chlorosulfonic Acid.

PubMed

Adnan, Mohammed; Marincel, Daniel M; Kleinerman, Olga; Chu, Sang-Hyon; Park, Cheol; Hocker, Samuel J A; Fay, Catharine; Arepalli, Sivaram; Talmon, Yeshayahu; Pasquali, Matteo

2018-03-14

Due to recent advances in high-throughput synthesis, research on boron nitride nanotubes (BNNTs) is moving toward applications. One future goal is the assembly of macroscopic articles of high-aspect-ratio, pristine BNNTs. However, these articles are presently unattainable because of insufficient purification and fabrication methods. We introduce a solution process for extracting BNNTs from synthesis impurities without sonication or the use of surfactants and proceed to convert the extracted BNNTs into thin films. The solution process can also be used to convert as-synthesized material-which contains significant amounts of hexagonal boron nitride ( h-BN)-into mats and aerogels with controllable structure and dimension. The solution extraction method, combined with further advances in synthesis and purification, contributes to the development of all-BNNT macroscopic articles, such as fibers and 3-D structures.

Computing Reliabilities Of Ceramic Components Subject To Fracture

NASA Technical Reports Server (NTRS)

Nemeth, N. N.; Gyekenyesi, J. P.; Manderscheid, J. M.

1992-01-01

CARES calculates fast-fracture reliability or failure probability of macroscopically isotropic ceramic components. Program uses results from commercial structural-analysis program (MSC/NASTRAN or ANSYS) to evaluate reliability of component in presence of inherent surface- and/or volume-type flaws. Computes measure of reliability by use of finite-element mathematical model applicable to multiple materials in sense model made function of statistical characterizations of many ceramic materials. Reliability analysis uses element stress, temperature, area, and volume outputs, obtained from two-dimensional shell and three-dimensional solid isoparametric or axisymmetric finite elements. Written in FORTRAN 77.

Generating macroscopic chaos in a network of globally coupled phase oscillators

PubMed Central

So, Paul; Barreto, Ernest

2011-01-01

We consider an infinite network of globally coupled phase oscillators in which the natural frequencies of the oscillators are drawn from a symmetric bimodal distribution. We demonstrate that macroscopic chaos can occur in this system when the coupling strength varies periodically in time. We identify period-doubling cascades to chaos, attractor crises, and horseshoe dynamics for the macroscopic mean field. Based on recent work that clarified the bifurcation structure of the static bimodal Kuramoto system, we qualitatively describe the mechanism for the generation of such complicated behavior in the time varying case. PMID:21974662

Self-assembly of free-standing RNA membranes

NASA Astrophysics Data System (ADS)

Han, Daehoon; Park, Yongkuk; Kim, Hyejin; Lee, Jong Bum

2014-07-01

RNA has emerged as a promising material for nanostructure and microstructure engineering. Although rare, some macroscopic RNA structures have also been constructed using lipid or polymer materials. Here, we report the first example of an enzymatically generated RNA membrane. This robust and free-standing RNA membrane has a macroscopic structure and is generated without any polymer support or complexation. Our RNA membrane is fabricated following two sequential processes, complementary rolling circle transcription and evaporation-induced self-assembly, and its structural and functional properties are rationally controlled by adjusting RNA base pairing. In this study, three types of RNA membranes are fabricated and are used to demonstrate potential applications.

Discovery of a diamond-based photonic crystal structure in beetle scales.

PubMed

Galusha, Jeremy W; Richey, Lauren R; Gardner, John S; Cha, Jennifer N; Bartl, Michael H

2008-05-01

We investigated the photonic crystal structure inside iridescent scales of the weevil Lamprocyphus augustus. By combining a high-resolution structure analysis technique based on sequential focused ion beam milling and scanning electron microscopy imaging with theoretical modeling and photonic band-structure calculations, we discovered a natural three-dimensional photonic structure with a diamond-based crystal lattice operating at visible wavelengths. Moreover, we found that within individual scales, the diamond-based structure is assembled in the form of differently oriented single-crystalline micrometer-sized pixels with only selected lattice planes facing the scales' top surface. A comparison of results obtained from optical microreflectance measurements with photonic band-structure calculations reveals that it is this sophisticated microassembly of the diamond-based crystal lattice that lends Lamprocyphus augustus its macroscopically near angle-independent green coloration.

Equation-free multiscale computation: algorithms and applications.

PubMed

Kevrekidis, Ioannis G; Samaey, Giovanni

2009-01-01

In traditional physicochemical modeling, one derives evolution equations at the (macroscopic, coarse) scale of interest; these are used to perform a variety of tasks (simulation, bifurcation analysis, optimization) using an arsenal of analytical and numerical techniques. For many complex systems, however, although one observes evolution at a macroscopic scale of interest, accurate models are only given at a more detailed (fine-scale, microscopic) level of description (e.g., lattice Boltzmann, kinetic Monte Carlo, molecular dynamics). Here, we review a framework for computer-aided multiscale analysis, which enables macroscopic computational tasks (over extended spatiotemporal scales) using only appropriately initialized microscopic simulation on short time and length scales. The methodology bypasses the derivation of macroscopic evolution equations when these equations conceptually exist but are not available in closed form-hence the term equation-free. We selectively discuss basic algorithms and underlying principles and illustrate the approach through representative applications. We also discuss potential difficulties and outline areas for future research.

[Macroscopic evaluation of the oral mucosa and analysis of salivary pH in patients with anorexia nervosa].

PubMed

Paszyńska, Elzbieta; Słopień, Agnieszka; Slebioda, Zuzanna S; Dyszkiewicz-Konwińska, Marta; Weglarz, Monika; Rajewski, Andrzej

2014-01-01

The aim of the study was to evaluate the status of the oral mucosa, to assess the prevalence of Candida in the oral cavity and to analyze the pH values of total saliva in patients with anorexia nervosa (AN) in comparison to the general population. A controlled clinical trial was designed for two, age-matched, female groups: patients with AN (Group A, n=31) and healthy women (Group 0, n = 40). Total saliva was collected at rest and after stimulation by chewing paraffin wax. Salivary pH was measured and macroscopic evaluation of the oral mucosa was performed with a qualitative and quantitative mycological analysis. The smear layer was collected from three different areas in the oral cavity. Selected Candida broths were used for incubation. Changes in the macroscopic structure of the oral mucosa due to multifactorial etiologies were observed. The prevalence of Candida in patients with AN was comparable to that in the general population. Salivary pH values were significantly lower in the AN patients than in the control group. The incidence of pathological changes in the oral mucosa is associated with the loss of the salivary protective barrier. This is shown by the significant reduction in the pH values of stimulated and non-stimulated saliva of the AN patients. In these patients, the monitoring of salivary parameters such as salivary flow rate and pH is indicated, and a regular dental checkup, together with soft tissue evaluation, is advised.

Upscaling Cement Paste Microstructure to Obtain the Fracture, Shear, and Elastic Concrete Mechanical LDPM Parameters.

PubMed

Sherzer, Gili; Gao, Peng; Schlangen, Erik; Ye, Guang; Gal, Erez

2017-02-28

Modeling the complex behavior of concrete for a specific mixture is a challenging task, as it requires bridging the cement scale and the concrete scale. We describe a multiscale analysis procedure for the modeling of concrete structures, in which material properties at the macro scale are evaluated based on lower scales. Concrete may be viewed over a range of scale sizes, from the atomic scale (10 -10 m), which is characterized by the behavior of crystalline particles of hydrated Portland cement, to the macroscopic scale (10 m). The proposed multiscale framework is based on several models, including chemical analysis at the cement paste scale, a mechanical lattice model at the cement and mortar scales, geometrical aggregate distribution models at the mortar scale, and the Lattice Discrete Particle Model (LDPM) at the concrete scale. The analysis procedure starts from a known chemical and mechanical set of parameters of the cement paste, which are then used to evaluate the mechanical properties of the LDPM concrete parameters for the fracture, shear, and elastic responses of the concrete. Although a macroscopic validation study of this procedure is presented, future research should include a comparison to additional experiments in each scale.

Upscaling Cement Paste Microstructure to Obtain the Fracture, Shear, and Elastic Concrete Mechanical LDPM Parameters

PubMed Central

Sherzer, Gili; Gao, Peng; Schlangen, Erik; Ye, Guang; Gal, Erez

2017-01-01

Modeling the complex behavior of concrete for a specific mixture is a challenging task, as it requires bridging the cement scale and the concrete scale. We describe a multiscale analysis procedure for the modeling of concrete structures, in which material properties at the macro scale are evaluated based on lower scales. Concrete may be viewed over a range of scale sizes, from the atomic scale (10−10 m), which is characterized by the behavior of crystalline particles of hydrated Portland cement, to the macroscopic scale (10 m). The proposed multiscale framework is based on several models, including chemical analysis at the cement paste scale, a mechanical lattice model at the cement and mortar scales, geometrical aggregate distribution models at the mortar scale, and the Lattice Discrete Particle Model (LDPM) at the concrete scale. The analysis procedure starts from a known chemical and mechanical set of parameters of the cement paste, which are then used to evaluate the mechanical properties of the LDPM concrete parameters for the fracture, shear, and elastic responses of the concrete. Although a macroscopic validation study of this procedure is presented, future research should include a comparison to additional experiments in each scale. PMID:28772605

Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically

PubMed Central

Li, Chunji; Cho, Joonil; Yamada, Kuniyo; Hashizume, Daisuke; Araoka, Fumito; Takezoe, Hideo; Aida, Takuzo; Ishida, Yasuhiro

2015-01-01

Helical nanostructures have attracted continuous attention, not only as media for chiral recognition and synthesis, but also as motifs for studying intriguing physical phenomena that never occur in centrosymmetric systems. To improve the quality of signals from these phenomena, which is a key issue for their further exploration, the most straightforward is the macroscopic orientation of helices. Here as a versatile scaffold to rationally construct this hardly accessible structure, we report a polymer framework with helical pores that unidirectionally orient over a large area (∼10 cm2). The framework, prepared by crosslinking a supramolecular liquid crystal preorganized in a magnetic field, is chemically robust, functionalized with carboxyl groups and capable of incorporating various basic or cationic guest molecules. When a nonlinear optical chromophore is incorporated in the framework, the resultant complex displays a markedly efficient nonlinear optical output, owing to the coherence of signals ensured by the macroscopically oriented helical structure. PMID:26416086

Estimates of production and structure of nuclei with Z = 119

NASA Astrophysics Data System (ADS)

Adamian, G. G.; Antonenko, N. V.; Lenske, H.

2018-02-01

The comparative analysis of the hot fusion reactions 50Ti +247-249Bk and 51V +246-248Cm for synthesis of element 119 is made with the dinuclear system model and the prediction of nuclear properties of the microscopic-macroscopic approach, where the closed proton shell at Z ≥ 120 is expected. The quasiparticle structures of nuclei in the α-decay chain of 295119 and a possible spread of alpha energies are studied. The calculated values of Qα are compared with available experimental data. The termination of the α-decay chain of 295119 is revealed.

Micromechanics-Based Inelastic Finite Element Analysis Accomplished Via Seamless Integration of MAC/GMC

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Trowbridge, D.

2001-01-01

A critical issue in the micromechanics-based analysis of composite structures becomes the availability of a computationally efficient homogenization technique: one that is 1) Capable of handling the sophisticated, physically based, viscoelastoplastic constitutive and life models for each constituent; 2) Able to generate accurate displacement and stress fields at both the macro and the micro levels; 3) Compatible with the finite element method. The Generalized Method of Cells (GMC) developed by Paley and Aboudi is one such micromechanical model that has been shown to predict accurately the overall macro behavior of various types of composites given the required constituent properties. Specifically, the method provides "closed-form" expressions for the macroscopic composite response in terms of the properties, size, shape, distribution, and response of the individual constituents or phases that make up the material. Furthermore, expressions relating the internal stress and strain fields in the individual constituents in terms of the macroscopically applied stresses and strains are available through strain or stress concentration matrices. These expressions make possible the investigation of failure processes at the microscopic level at each step of an applied load history.

Concealing with structured light.

PubMed

Sun, Jingbo; Zeng, Jinwei; Wang, Xi; Cartwright, Alexander N; Litchinitser, Natalia M

2014-02-13

While making objects less visible (or invisible) to a human eye or a radar has captured people's imagination for centuries, current attempts towards realization of this long-awaited functionality range from various stealth technologies to recently proposed cloaking devices. A majority of proposed approaches share a number of common deficiencies such as design complexity, polarization effects, bandwidth, losses and the physical size or shape requirement complicating their implementation especially at optical frequencies. Here we demonstrate an alternative way to conceal macroscopic objects by structuring light itself. In our approach, the incident light is transformed into an optical vortex with a dark core that can be used to conceal macroscopic objects. Once such a beam passed around the object it is transformed back into its initial Gaussian shape with minimum amplitude and phase distortions. Therefore, we propose to use that dark core of the vortex beam to conceal an object that is macroscopic yet small enough to fit the dark (negligibly low intensity) region of the beam. The proposed concealing approach is polarization independent, easy to fabricate, lossless, operates at wavelengths ranging from 560 to 700 nm, and can be used to hide macroscopic objects providing they are smaller than vortex core.

Active Polar Two-Fluid Macroscopic Dynamics

NASA Astrophysics Data System (ADS)

Pleiner, Harald; Svensek, Daniel; Brand, Helmut R.

2014-03-01

We study the dynamics of systems with a polar dynamic preferred direction. Examples include the pattern-forming growth of bacteria (in a solvent, shoals of fish (moving in water currents), flocks of birds and migrating insects (flying in windy air). Because the preferred direction only exists dynamically, but not statically, the macroscopic variable of choice is the macroscopic velocity associated with the motion of the active units. We derive the macroscopic equations for such a system and discuss novel static, reversible and irreversible cross-couplings connected to this second velocity. We find a normal mode structure quite different compared to the static descriptions, as well as linear couplings between (active) flow and e.g. densities and concentrations due to the genuine two-fluid transport derivatives. On the other hand, we get, quite similar to the static case, a direct linear relation between the stress tensor and the structure tensor. This prominent ``active'' term is responsible for many active effects, meaning that our approach can describe those effects as well. In addition, we also deal with explicitly chiral systems, which are important for many active systems. In particular, we find an active flow-induced heat current specific for the dynamic chiral polar order.

Computational Biochemistry-Enzyme Mechanisms Explored.

PubMed

Culka, Martin; Gisdon, Florian J; Ullmann, G Matthias

2017-01-01

Understanding enzyme mechanisms is a major task to achieve in order to comprehend how living cells work. Recent advances in biomolecular research provide huge amount of data on enzyme kinetics and structure. The analysis of diverse experimental results and their combination into an overall picture is, however, often challenging. Microscopic details of the enzymatic processes are often anticipated based on several hints from macroscopic experimental data. Computational biochemistry aims at creation of a computational model of an enzyme in order to explain microscopic details of the catalytic process and reproduce or predict macroscopic experimental findings. Results of such computations are in part complementary to experimental data and provide an explanation of a biochemical process at the microscopic level. In order to evaluate the mechanism of an enzyme, a structural model is constructed which can be analyzed by several theoretical approaches. Several simulation methods can and should be combined to get a reliable picture of the process of interest. Furthermore, abstract models of biological systems can be constructed combining computational and experimental data. In this review, we discuss structural computational models of enzymatic systems. We first discuss various models to simulate enzyme catalysis. Furthermore, we review various approaches how to characterize the enzyme mechanism both qualitatively and quantitatively using different modeling approaches. © 2017 Elsevier Inc. All rights reserved.

Two level approach to safety planning incorporating the Highway Safety Manual (HSM) network screening : [summary].

DOT National Transportation Integrated Search

2014-04-01

In this project, University of Central Florida researchers combined two types of safety analysis, microscopic and macroscopic, to overcome their limitations. Microscopic models focus on traffic flows and related parameters. Macroscopic models are bas...

Microgravity Foam Structure and Rheology

NASA Technical Reports Server (NTRS)

Durian, Douglas J.

1997-01-01

To exploit rheological and multiple-light scattering techniques, and ultimately microgravity conditions, in order to quantify and elucidate the unusual elastic character of foams in terms of their underlying microscopic structure and dynamics. Special interest is in determining how this elastic character vanishes, i.e. how the foam melts into a simple viscous liquid, as a function of both increasing liquid content and shear strain rate. The unusual elastic character of foams will be quantified macroscopically by measurement of the shear stress as a function of static shear strain, shear strain rate, and time following a step strain; such data will be analyzed in terms of a yield stress, a static shear modulus, and dynamical time scales. Microscopic information about bubble packing and rearrangement dynamics, from which these macroscopic non-Newtonian properties presumably arise, will be obtained non-invasively by novel multiple-light scattering diagnostics such as Diffusing-Wave Spectroscopy (DWS). Quantitative trends with materials parameters, such as average bubble size, and liquid content, will be sought in order to elucidate the fundamental connection between the microscopic structure and dynamics and the macroscopic rheology.

Communication: Relationship between local structure and the stability of water in hydrophobic confinement

NASA Astrophysics Data System (ADS)

Altabet, Y. Elia; Debenedetti, Pablo G.

2017-12-01

Liquid water confined between nanoscale hydrophobic objects can become metastable with respect to its vapor at nanoscale separations. While the separations are only several molecular diameters, macroscopic theories are often invoked to interpret the thermodynamics and kinetics of water under confinement. We perform detailed rate and free energy calculations via molecular simulations in order to assess the dependence of the rate of evaporation, free energy barriers, and free energy differences between confined liquid and vapor upon object separation and compare them to the relevant macroscopic theories. At small enough separations, the rate of evaporation appears to deviate significantly from the predictions of classical nucleation theory, and we attribute such deviations to changes in the structure of the confined liquid film. However, the free energy difference between the confined liquid and vapor phases agrees quantitatively with macroscopic theory, and the free energy barrier to condensation displays qualitative agreement. Overall, the present work suggests that theories attempting to capture the kinetic behavior of nanoscale systems should incorporate structural details rather than treating it as a continuum.

Probabilistic sizing of laminates with uncertainties

NASA Technical Reports Server (NTRS)

Shah, A. R.; Liaw, D. G.; Chamis, C. C.

1993-01-01

A reliability based design methodology for laminate sizing and configuration for a special case of composite structures is described. The methodology combines probabilistic composite mechanics with probabilistic structural analysis. The uncertainties of constituent materials (fiber and matrix) to predict macroscopic behavior are simulated using probabilistic theory. Uncertainties in the degradation of composite material properties are included in this design methodology. A multi-factor interaction equation is used to evaluate load and environment dependent degradation of the composite material properties at the micromechanics level. The methodology is integrated into a computer code IPACS (Integrated Probabilistic Assessment of Composite Structures). Versatility of this design approach is demonstrated by performing a multi-level probabilistic analysis to size the laminates for design structural reliability of random type structures. The results show that laminate configurations can be selected to improve the structural reliability from three failures in 1000, to no failures in one million. Results also show that the laminates with the highest reliability are the least sensitive to the loading conditions.

Plasmonic direct writing lithography with a macroscopical contact probe

NASA Astrophysics Data System (ADS)

Huang, Yuerong; Liu, Ling; Wang, Changtao; Chen, Weidong; Liu, Yunyue; Li, Ling

2018-05-01

In this work, we design a plasmonic direct writing lithography system with a macroscopical contact probe to achieve nanometer scale spots. The probe with bowtie-shaped aperture array adopts spring hinge and beam deflection method (BDM) to realize near-field lithography. Lithography results show that a macroscopical plasmonic contact probe can achieve a patterning resolution of around 75 nm at 365 nm wavelength, and demonstrate that the lithography system is promising for practical applications due to beyond the diffraction limit, low cost, and simplification of system configuration. CST calculations provide a guide for the design of recording structure and the arrangement of placing polarizer.

Statistical foundations of liquid-crystal theory

PubMed Central

Seguin, Brian; Fried, Eliot

2013-01-01

Working on a state space determined by considering a discrete system of rigid rods, we use nonequilibrium statistical mechanics to derive macroscopic balance laws for liquid crystals. A probability function that satisfies the Liouville equation serves as the starting point for deriving each macroscopic balance. The terms appearing in the derived balances are interpreted as expected values and explicit formulas for these terms are obtained. Among the list of derived balances appear two, the tensor moment of inertia balance and the mesofluctuation balance, that are not standard in previously proposed macroscopic theories for liquid crystals but which have precedents in other theories for structured media. PMID:23554513

Electronic structure of polycrystalline CVD-graphene revealed by Nano-ARPES

NASA Astrophysics Data System (ADS)

Chen, Chaoyu; Avila, José; Asensio, Maria C.

2017-06-01

The ability to explore electronic structure and their role in determining material’s macroscopic behaviour is essential to explain and engineer functions of material and device. Since its debut in 2004, graphene has attracted global research interest due to its unique properties. Chemical vapor deposition (CVD) has emerged as an important method for the massive preparation and production of graphene for various applications. Here by employing angle-resolved photoemission spectroscopy with nanoscale spatial resolution ˜ 100 nm (Nano-ARPES), we describe the approach to measure the electronic structure of polycrystalline graphene on copper foils, demonstrating the power of Nano-ARPES to detect the electronic structure of microscopic single crystalline domains, being fully compatible with conventional ARPES. Similar analysis could be employed to other microscopic materials

Validation of In utero Tractography of Human Fetal Commissural and Internal Capsule Fibers with Histological Structure Tensor Analysis

PubMed Central

Mitter, Christian; Jakab, András; Brugger, Peter C.; Ricken, Gerda; Gruber, Gerlinde M.; Bettelheim, Dieter; Scharrer, Anke; Langs, Georg; Hainfellner, Johannes A.; Prayer, Daniela; Kasprian, Gregor

2015-01-01

Diffusion tensor imaging (DTI) and tractography offer the unique possibility to visualize the developing white matter macroanatomy of the human fetal brain in vivo and in utero and are currently under investigation for their potential use in the diagnosis of developmental pathologies of the human central nervous system. However, in order to establish in utero DTI as a clinical imaging tool, an independent comparison between macroscopic imaging and microscopic histology data in the same subject is needed. The present study aimed to cross-validate normal as well as abnormal in utero tractography results of commissural and internal capsule fibers in human fetal brains using postmortem histological structure tensor (ST) analysis. In utero tractography findings from two structurally unremarkable and five abnormal fetal brains were compared to the results of postmortem ST analysis applied to digitalized whole hemisphere sections of the same subjects. An approach to perform ST-based deterministic tractography in histological sections was implemented to overcome limitations in correlating in utero tractography to postmortem histology data. ST analysis and histology-based tractography of fetal brain sections enabled the direct assessment of the anisotropic organization and main fiber orientation of fetal telencephalic layers on a micro- and macroscopic scale, and validated in utero tractography results of corpus callosum and internal capsule fiber tracts. Cross-validation of abnormal in utero tractography results could be achieved in four subjects with agenesis of the corpus callosum (ACC) and in two cases with malformations of internal capsule fibers. In addition, potential limitations of current DTI-based in utero tractography could be demonstrated in several brain regions. Combining the three-dimensional nature of DTI-based in utero tractography with the microscopic resolution provided by histological ST analysis may ultimately facilitate a more complete morphologic characterization of axon guidance disorders at prenatal stages of human brain development. PMID:26732460

Failure Analysis and Prevention for the Air Logistics Center Engineer: CAStLE Course Development Summary

DTIC Science & Technology

2006-09-01

Monday through Friday in a single week. This daily schedule was chosen so that engineers could still access their office during part of the normal...aluminum, austenitic SS) structures do not cleave! "* Physical Manifestation - Bright, shiny appearance - " Crystallized " fracture surface - Chevrons...region with the "striations" Fracture mode was actually by SOC *Lesson? Don’t base conclusions on a single observation Higher mag macroscopic image

Computational Thermomechanical Modelling of Early-Age Silicate Composites

NASA Astrophysics Data System (ADS)

Vala, J.; Št'astník, S.; Kozák, V.

2009-09-01

Strains and stresses in early-age silicate composites, widely used in civil engineering, especially in fresh concrete mixtures, in addition to those caused by exterior mechanical loads, are results of complicated non-deterministic physical and chemical processes. Their numerical prediction at the macro-scale level requires the non-trivial physical analysis based on the thermodynamic principles, making use of micro-structural information from both theoretical and experimental research. The paper introduces a computational model, based on a nonlinear system of macroscopic equations of evolution, supplied with certain effective material characteristics, coming from the micro-scale analysis, and sketches the algorithm for its numerical analysis.

Effects of Microstructure Variations on Macroscopic Terahertz Metafilm Properties

DOE PAGES

O'Hara, John F.; Smirnova, Evgenya; Azad, Abul K.; ...

2007-01-01

The properties of planar, single-layer metamaterials, or metafilms, are studied by varying the structural components of the split-ring resonators used to comprise the overall medium. Measurements and simulations reveal how minor design variations in split-ring resonator structures can result in significant changes in the macroscopic properties of the metafilm. A transmission-line/circuit model is also used to clarify some of the behavior and design limitations of the metafilms. Though our results are illustrated in the terahertz frequency range, the work has broader implications, particularly with respect to filtering, modulation, and switching devices.

Self-assembly of 3D Carbon Nanotube Sponges: A Simple and Controllable Way to Build Macroscopic and Ultralight Porous Architectures.

PubMed

Luo, Shu; Luo, Yufeng; Wu, Hengcai; Li, Mengya; Yan, Lingjia; Jiang, Kaili; Liu, Liang; Li, Qunqing; Fan, Shoushan; Wang, Jiaping

2017-01-01

Macroscopic and 3D superaligned CNT (SACNT) sponges are fabricated through a simple, low-cost, controllable, and scalable self-assembly method without using organic binder. Sponges with specific shapes and densities can be achieved. SACNT sponges are ultralight (1-50 mg cm -3 ), highly porous (97.5%-99.9%) with honeycomb-like hierarchical structure, and highly conductive. Using SACNT sponges as templates, various materials with honeycomb-like structure can be obtained for wide applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling self-organization of novel organic materials

NASA Astrophysics Data System (ADS)

Sayar, Mehmet

In this thesis, the structural organization of oligomeric multi-block molecules is analyzed by computational analysis of coarse-grained models. These molecules form nanostructures with different dimensionalities, and the nanostructured nature of these materials leads to novel structural properties at different length scales. Previously, a number of oligomeric triblock rodcoil molecules have been shown to self-organize into mushroom shaped noncentrosymmetric nanostructures. Interestingly, thin films of these molecules contain polar domains and a finite macroscopic polarization. However, the fully polarized state is not the equilibrium state. In the first chapter, by solving a model with dipolar and Ising-like short range interactions, we show that polar domains are stable in films composed of aggregates as opposed to isolated molecules. Unlike classical molecular systems, these nanoaggregates have large intralayer spacings (a ≈ 6 nm), leading to a reduction in the repulsive dipolar interactions that oppose polar order within layers. This enables the formation of a striped pattern with polar domains of alternating directions. The energies of the possible structures at zero temperature are computed exactly and results of Monte Carlo simulations are provided at non-zero temperatures. In the second chapter, the macroscopic polarization of such nanostructured films is analyzed in the presence of a short range surface interaction. The surface interaction leads to a periodic domain structure where the balance between the up and down domains is broken, and therefore films of finite thickness have a net macroscopic polarization. The polarization per unit volume is a function of film thickness and strength of the surface interaction. Finally, in chapter three, self-organization of organic molecules into a network of one dimensional objects is analyzed. Multi-block organic dendron rodcoil molecules were found to self-organize into supramolecular nanoribbons (threads) and form gels at very low concentrations. Here, the formation and structural properties of these networks are studied with Monte Carlo simulations. The model gelators can form intra and inter-thread bonds, and the threads have a finite stiffness. The results suggest that the high persistence length is a result of the interplay of thread stiffness and inter-thread interactions. Furthermore, this high persistence length enables the formation of networks at low concentrations.

Understanding fluid transport through the multiscale pore network of a natural shale

NASA Astrophysics Data System (ADS)

Davy, Catherine A.; Nguyen Kim, Thang; Song, Yang; Troadec, David; Blanchenet, Anne-Marie; Adler, Pierre M.

2017-06-01

The pore structure of a natural shale is obtained by three imaging means. Micro-tomography results are extended to provide the spatial arrangement of the minerals and pores present at a voxel size of 700 nm (the macroscopic scale). FIB/SEM provides a 3D representation of the porous clay matrix on the so-called mesoscopic scale (10-20 nm); a connected pore network, devoid of cracks, is obtained for two samples out of five, while the pore network is connected through cracks for two other samples out of five. Transmission Electron Microscopy (TEM) is used to visualize the pore space with a typical pixel size of less than 1 nm and a porosity ranging from 0.12 to 0.25. On this scale, in the absence of 3D images, the pore structure is reconstructed by using a classical technique, which is based on truncated Gaussian fields. Permeability calculations are performed with the Lattice Boltzmann Method on the nanoscale, on the mesoscale, and on the combination of the two. Upscaling is finally done (by a finite volume approach) on the bigger macroscopic scale. Calculations show that, in the absence of cracks, the contribution of the nanoscale pore structure on the overall permeability is similar to that of the mesoscale. Complementarily, the macroscopic permeability is measured on a centimetric sample with a neutral fluid (ethanol). The upscaled permeability on the macroscopic scale is in good agreement with the experimental results.

Numerical estimation of cavitation intensity

NASA Astrophysics Data System (ADS)

Krumenacker, L.; Fortes-Patella, R.; Archer, A.

2014-03-01

Cavitation may appear in turbomachinery and in hydraulic orifices, venturis or valves, leading to performance losses, vibrations and material erosion. This study propose a new method to predict the cavitation intensity of the flow, based on a post-processing of unsteady CFD calculations. The paper presents the analyses of cavitating structures' evolution at two different scales: • A macroscopic one in which the growth of cavitating structures is calculated using an URANS software based on a homogeneous model. Simulations of cavitating flows are computed using a barotropic law considering presence of air and interfacial tension, and Reboud's correction on the turbulence model. • Then a small one where a Rayleigh-Plesset software calculates the acoustic energy generated by the implosion of the vapor/gas bubbles with input parameters from macroscopic scale. The volume damage rate of the material during incubation time is supposed to be a part of the cumulated acoustic energy received by the solid wall. The proposed analysis method is applied to calculations on hydrofoil and orifice geometries. Comparisons between model results and experimental works concerning flow characteristic (size of cavity, pressure,velocity) as well as pitting (erosion area, relative cavitation intensity) are presented.

A constitutive model and numerical simulation of sintering processes at macroscopic level

NASA Astrophysics Data System (ADS)

Wawrzyk, Krzysztof; Kowalczyk, Piotr; Nosewicz, Szymon; Rojek, Jerzy

2018-01-01

This paper presents modelling of both single and double-phase powder sintering processes at the macroscopic level. In particular, its constitutive formulation, numerical implementation and numerical tests are described. The macroscopic constitutive model is based on the assumption that the sintered material is a continuous medium. The parameters of the constitutive model for material under sintering are determined by simulation of sintering at the microscopic level using a micro-scale model. Numerical tests were carried out for a cylindrical specimen under hydrostatic and uniaxial pressure. Results of macroscopic analysis are compared against the microscopic model results. Moreover, numerical simulations are validated by comparison with experimental results. The simulations and preparation of the model are carried out by Abaqus FEA - a software for finite element analysis and computer-aided engineering. A mechanical model is defined by the user procedure "Vumat" which is developed by the first author in Fortran programming language. Modelling presented in the paper can be used to optimize and to better understand the process.

Multiscale Investigation on Biofilm Distribution and Its Impact on Macroscopic Biogeochemical Reaction Rates: BIOFILM DISTRIBUTION AND RATE SCALING

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

Yan, Zhifeng; Liu, Chongxuan; Liu, Yuanyuan

Biofilms are critical locations for biogeochemical reactions in the subsurface environment. The occurrence and distribution of biofilms at microscale as well as their impacts on macroscopic biogeochemical reaction rates are still poorly understood. This paper investigated the formation and distributions of biofilms in heterogeneous sediments using multiscale models, and evaluated the effects of biofilm heterogeneity on local and macroscopic biogeochemical reaction rates. Sediment pore structures derived from X-ray computed tomography were used to simulate the microscale flow dynamics and biofilm distribution in the sediment column. The response of biofilm formation and distribution to the variations in hydraulic and chemical propertiesmore » was first examined. One representative biofilm distribution was then utilized to evaluate its effects on macroscopic reaction rates using nitrate reduction as an example. The results revealed that microorganisms primarily grew on the surfaces of grains and aggregates near preferential flow paths where both electron donor and acceptor were readily accessible, leading to the heterogeneous distribution of biofilms in the sediments. The heterogeneous biofilm distribution decreased the macroscopic rate of biogeochemical reactions as compared with those in homogeneous cases. Operationally considering the heterogeneous biofilm distribution in macroscopic reactive transport models such as using dual porosity domain concept can significantly improve the prediction of biogeochemical reaction rates. Overall, this study provided important insights into the biofilm formation and distribution in soils and sediments as well as their impacts on the macroscopic manifestation of reaction rates.« less

Multiscale Investigation on Biofilm Distribution and Its Impact on Macroscopic Biogeochemical Reaction Rates

NASA Astrophysics Data System (ADS)

Yan, Zhifeng; Liu, Chongxuan; Liu, Yuanyuan; Bailey, Vanessa L.

2017-11-01

Biofilms are critical locations for biogeochemical reactions in the subsurface environment. The occurrence and distribution of biofilms at microscale as well as their impacts on macroscopic biogeochemical reaction rates are still poorly understood. This paper investigated the formation and distributions of biofilms in heterogeneous sediments using multiscale models and evaluated the effects of biofilm heterogeneity on local and macroscopic biogeochemical reaction rates. Sediment pore structures derived from X-ray computed tomography were used to simulate the microscale flow dynamics and biofilm distribution in the sediment column. The response of biofilm formation and distribution to the variations in hydraulic and chemical properties was first examined. One representative biofilm distribution was then utilized to evaluate its effects on macroscopic reaction rates using nitrate reduction as an example. The results revealed that microorganisms primarily grew on the surfaces of grains and aggregates near preferential flow paths where both electron donor and acceptor were readily accessible, leading to the heterogeneous distribution of biofilms in the sediments. The heterogeneous biofilm distribution decreased the macroscopic rate of biogeochemical reactions as compared with those in homogeneous cases. Operationally considering the heterogeneous biofilm distribution in macroscopic reactive transport models such as using dual porosity domain concept can significantly improve the prediction of biogeochemical reaction rates. Overall, this study provided important insights into the biofilm formation and distribution in soils and sediments as well as their impacts on the macroscopic manifestation of reaction rates.

A macroscopic non-destructive testing system based on the cantilever-sample contact resonance

NASA Astrophysics Data System (ADS)

Fu, Ji; Lin, Lizhi; Zhou, Xilong; Li, Yingwei; Li, Faxin

2012-12-01

Detecting the inside or buried defects in materials and structures is always a challenge in the field of nondestructive testing (NDT). In this paper, enlightened by the operation principle of the contact resonance force microscopy or atomic force acoustic microscopy (AFAM), we proposed a macroscopic NDT system based on contact resonance of the cantilever-sample surface to detect the local stiffness variations in materials or structures. We fabricated a piezoelectric unimorph with the dimension typically of 150 mm × 8 mm × 2 mm to act as a macroscopic cantilever, whose flexural mode vibration was driven by a wideband power amplifier together with a signal generator. The vibration signal of the macroscopic cantilever is detected by a high sensitive strain gauge bonded on the cantilever surface which is much more stable than the laser diode sensor in AFAM, thus making it very suitable for outdoor operations. Scanning is realized by a three-dimensional motorized stage with the Z axis for pressing force setting. The whole system is controlled by a LabVIEW-based homemade software. Like the AFAM, this NDT system can also work in two modes, i.e., the single-frequency mode and the resonance-tracking mode. In the latter mode, the contact stiffness at each pixel of the sample can be obtained by using the measured contact resonance frequency and a beam dynamics model. Testing results of this NDT system on a grid structure with an opaque panel show that in both modes the prefabricated defect beneath the panel can be detected and the grid structures can be clearly "seen," which indicates the validity of this NDT system. The sensitivity of this NDT system was also examined.

Biomineral nanoparticles are space-filling.

PubMed

Yang, Li; Killian, Christopher E; Kunz, Martin; Tamura, Nobumichi; Gilbert, P U P A

2011-02-01

Sea urchin biominerals have been shown to form from aggregating nanoparticles of amorphous calcium carbonate (ACC), which then crystallize into macroscopic single crystals of calcite. Here we measure the surface areas of these biominerals and find them to be comparable to those of space-filling macroscopic geologic calcite crystals. These biominerals differ from synthetic mesocrystals, which are invariably porous. We propose that space-filling ACC is the structural precursor for echinoderm biominerals.

Graphene and Other 2D Colloids: Liquid Crystals and Macroscopic Fibers.

PubMed

Liu, Yingjun; Xu, Zhen; Gao, Weiwei; Cheng, Zhengdong; Gao, Chao

2017-04-01

Two-dimensional colloidal nanomaterials are running into renaissance after the enlightening researches of graphene. Macroscopic one-dimensional fiber is an optimal ordered structural form to express the in-plane merits of 2D nanomaterials, and the formation of liquid crystals (LCs) allows the creation of continuous fibers. In the correlated system from LCs to fibers, understanding their macroscopic organizing behavior and transforming them into new solid fibers is greatly significant for applications. Herein, we retrospect the history of 2D colloids and discuss about the concept of 2D nanomaterial fibers in the context of LCs, elaborating the motivation, principle and possible strategies of fabrication. Then we highlight the creation, development and typical applications of graphene fibers. Additionally, the latest advances of other 2D nanomaterial fibers are also summarized. Finally, conclusions, challenges and perspectives are provided to show great expectations of better and more fibrous materials of 2D nanomaterials. This review gives a comprehensive retrospect of the past century-long effort about the whole development of 2D colloids, and plots a clear roadmap - "lamellar solid - LCs - macroscopic fibers - flexible devices", which will certainly open a new era of structural-multifunctional application for the conventional 2D colloids. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Macroscopic momentum and mechanical energy equations for incompressible single-phase flow in porous media.

PubMed

Paéz-García, Catherine Teresa; Valdés-Parada, Francisco J; Lasseux, Didier

2017-02-01

Modeling flow in porous media is usually focused on the governing equations for mass and momentum transport, which yield the velocity and pressure at the pore or Darcy scales. However, in many applications, it is important to determine the work (or power) needed to induce flow in porous media, and this can be achieved when the mechanical energy equation is taken into account. At the macroscopic scale, this equation may be postulated to be the result of the inner product of Darcy's law and the seepage velocity. However, near the porous medium boundaries, this postulate seems questionable due to the spatial variations of the effective properties (velocity, permeability, porosity, etc.). In this work we derive the macroscopic mechanical energy equation using the method of volume averaging for the simple case of incompressible single-phase flow in porous media. Our analysis shows that the result of averaging the pore-scale version of the mechanical energy equation at the Darcy scale is not, in general, the expected product of Darcy's law and the seepage velocity. As a matter of fact, this result is only applicable in the bulk region of the porous medium and, in the derivation of this result, the properties of the permeability tensor are determinant. Furthermore, near the porous medium boundaries, a more novel version of the mechanical energy equation is obtained, which incorporates additional terms that take into account the rapid variations of structural properties taking place in this particular portion of the system. This analysis can be applied to multiphase and compressible flows in porous media and in many other multiscale systems.

Chiral Domain Structure in Superfluid 3He-A Studied by Magnetic Resonance Imaging

NASA Astrophysics Data System (ADS)

Kasai, J.; Okamoto, Y.; Nishioka, K.; Takagi, T.; Sasaki, Y.

2018-05-01

The existence of a spatially varying texture in superfluid 3He is a direct manifestation of the complex macroscopic wave function. The real space shape of the texture, namely, a macroscopic wave function, has been studied extensively with the help of theoretical modeling but has never been directly observed experimentally with spatial resolution. We have succeeded in visualizing the texture by a specialized magnetic resonance imaging. With this new technology, we have discovered that the macroscopic chiral domains, of which sizes are as large as 1 mm, and corresponding chiral domain walls exist rather stably in 3He - A film at temperatures far below the transition temperature.

Inverse analysis of giant macroscopic negative thermal expansion of Ca2RuO4‑ y ceramics based on elasticity and structural topology optimization

NASA Astrophysics Data System (ADS)

Takezawa, Akihiro; Takenaka, Koshi; Zhang, Xiaopeng

2018-05-01

Ca2RuO4‑ y ceramics exhibit a large volumetric negative thermal expansions (NTE), although the crystallographic volume contraction on heating is much smaller than the NTE. Therefore, we examine the differences in the mechanisms underlying the volumetric thermal expansion for ruthenate ceramics and crystals in the context of the elasticity. We identify the possible microstructure of ruthenate ceramics composed of crystal grains and cavities using structural topology optimization. We conclude that the measured large volumetric NTE of ruthenate ceramics is certainly possible via anisotropic crystallographic thermal expansion through an elastic mechanism.

Enzyme-mediated assimilation of DNA-functionalized single-walled carbon nanotubes.

PubMed

Arnett, Clint M; Marsh, Charles P; Welch, Charles R; Strano, Michael S; Han, Jae-Hee; Gray, Jeffry H; Carlson, Thomas A

2010-01-19

When pyrimidine-functionalized carbon nanotubes were incubated with single-stranded DNA ligase, formations of macroscopic aggregates were observed. Wet-cell transmission electron microscopy imaging revealed that the nanotubes were radially bound to form a 3D latticelike structure. These structures were not observed in control reactions lacking ligase or adenosine triphosphate. Raman spectroscopy analysis revealed no spectra indicative of carbon nanotubes in ligase-unamended controls; however, spectra were observed in radial breathing mode and in the G and G' bands in reactions containing ligase. Furthermore, the addition of deoxyribonuclease to the ligated reactions dispersed the aggregates, and a reduction in Raman spectral intensity was observed.

Limit analysis and homogenization of porous materials with Mohr-Coulomb matrix. Part I: Theoretical formulation

NASA Astrophysics Data System (ADS)

Anoukou, K.; Pastor, F.; Dufrenoy, P.; Kondo, D.

2016-06-01

The present two-part study aims at investigating the specific effects of Mohr-Coulomb matrix on the strength of ductile porous materials by using a kinematic limit analysis approach. While in the Part II, static and kinematic bounds are numerically derived and used for validation purpose, the present Part I focuses on the theoretical formulation of a macroscopic strength criterion for porous Mohr-Coulomb materials. To this end, we consider a hollow sphere model with a rigid perfectly plastic Mohr-Coulomb matrix, subjected to axisymmetric uniform strain rate boundary conditions. Taking advantage of an appropriate family of three-parameter trial velocity fields accounting for the specific plastic deformation mechanisms of the Mohr-Coulomb matrix, we then provide a solution of the constrained minimization problem required for the determination of the macroscopic dissipation function. The macroscopic strength criterion is then obtained by means of the Lagrangian method combined with Karush-Kuhn-Tucker conditions. After a careful analysis and discussion of the plastic admissibility condition associated to the Mohr-Coulomb criterion, the above procedure leads to a parametric closed-form expression of the macroscopic strength criterion. The latter explicitly shows a dependence on the three stress invariants. In the special case of a friction angle equal to zero, the established criterion reduced to recently available results for porous Tresca materials. Finally, both effects of matrix friction angle and porosity are briefly illustrated and, for completeness, the macroscopic plastic flow rule and the voids evolution law are fully furnished.

Flows in a tube structure: Equation on the graph

NASA Astrophysics Data System (ADS)

Panasenko, Grigory; Pileckas, Konstantin

2014-08-01

The steady-state Navier-Stokes equations in thin structures lead to some elliptic second order equation for the macroscopic pressure on a graph. At the nodes of the graph the pressure satisfies Kirchoff-type junction conditions. In the non-steady case the problem for the macroscopic pressure on the graph becomes nonlocal in time. In the paper we study the existence and uniqueness of a solution to such one-dimensional model on the graph for a pipe-wise network. We also prove the exponential decay of the solution with respect to the time variable in the case when the data decay exponentially with respect to time.

Photo-Darkening Kinetics and Structural Anisotropic Modifications in the Chalcogenide Glass Arsenic Trisulfide: a Study of Kinetic X-Ray Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Lee, Jay Min

1990-08-01

The purpose of the study is to investigate the mechanisms involved with photo-induced atomic structural modifications in the chalcogenide glass As_2 S_3. This glass exhibits the reversible effects of photo-darkening followed by thermal bleaching. We observed the time behavior of photo-induced properties under the influence of linearly polarized band -gap light. In a macroscopic optical investigation, we monitor optical changes in the photo-darkening process, and in a local structural probe we study kinetic (or time -resolved dispersive) x-ray absorption spectroscopy. Our observations center on kinetic phenomena and structural modifications induced by polarized excitation of lone-pair orbitals in the chalcogenide glass. Experimental results include the following observations: (i) The polarity of the optically induced anisotropy is critically dependent on the intensity and the polarization of the band-gap irradiation beam. (ii) The near edge peak height in x-ray absorption spectra shows subtle but sensitive change during the photo-darkening process. (iii) Photon intensity dependent dichroic kinetics reflect a connection between the optically probed macroscopic property and the x-ray probed local anisotropic structure. Analysis of the x-ray absorption results includes a computer simulation of the polarized absorption spectra. These results suggest that specific structural units tend to orient themselves with respect to the photon polarization. A substantial part of the analysis involves a major effort in dealing with the x-ray kinetic data manipulation and the experimental difficulties caused by a synchrotron instability problem. Based on our observations, we propose a possible mechanism for the observed photo-structural modifications. Through a model of computer relaxed photo-darkening kinetics, we support the notion that a twisting of a specific intermediate range order structure is responsible for local directional variations and global network distortions. In the course of this study, we refine knowledge of intermediate range order structural configurations and the bistabilities related to these configurations. The importance of the lone-pair orbital interactions in the chalcogenide glassy network is underscored.

Inherent structure length in metallic glasses: Simplicity behind complexity

DOE PAGES

Wu, Yuan; Wang, Hui; Cheng, Yongqiang; ...

2015-08-06

One of the central themes in materials science is the structure-property relationship. In conventional crystalline metals, their mechanical behaviour is often dictated by well-defined structural defects such as dislocations, impurities, and twins. However, the structure-property relationship in amorphous alloys is far from being understood, due to great difficulties in characterizing and describing the disordered atomic-level structure. Here, we report a universal, yet simple, correlation between the macroscopic mechanical properties (i.e., yield strength and shear modulus) and a unique characteristic structural length in metallic glasses (MGs). Lastly, our analysis indicates that this characteristic length can incorporate effects of both the inter-atomicmore » distance and valence electron density in MGs, and result in the observed universal correlation. The current findings shed lights on the basic understanding of mechanical properties of MGs from their disordered atomic structures.« less

Conductivity and structure of ErAs nanoparticles embedded in GaAs pn junctions analyzed via conductive atomic force microscopy

NASA Astrophysics Data System (ADS)

Park, K. W.; Dasika, V. D.; Nair, H. P.; Crook, A. M.; Bank, S. R.; Yu, E. T.

2012-06-01

We have used conductive atomic force microscopy to investigate the influence of growth temperature on local current flow in GaAs pn junctions with embedded ErAs nanoparticles grown by molecular beam epitaxy. Three sets of samples, one with 1 ML ErAs deposited at different growth temperatures and two grown at 530 °C and 575 °C with varying ErAs depositions, were characterized. Statistical analysis of local current images suggests that the structures grown at 575 °C have about 3 times thicker ErAs nanoparticles than structures grown at 530 °C, resulting in degradation of conductivity due to reduced ErAs coverage. These findings explain previous studies of macroscopic tunnel junctions.

Anatomically informed mesoscale electrical impedance spectroscopy in southern pine and the electric field distribution for pin-type electric moisture metres

Treesearch

Samuel L. Zelinka; Alex C. Wiedenhoeft; Samuel V. Glass; Flavio Ruffinatto

2015-01-01

Electrical impedance spectra of wood taken at macroscopic scales below the fibre saturation point have led to inferences that the mechanism of charge conduction involves a percolation phenomenon. The pathways responsible for charge conduction would necessarily be influenced by wood structure at a variety of sub-macroscopic scales – at a mesoscale – but these questions...

Geometric Triangular Chiral Hexagon Crystal-Like Complexes Organization in Pathological Tissues Biological Collision Order

PubMed Central

Díaz, Jairo A.; Jaramillo, Natalia A.; Murillo, Mauricio F.

2007-01-01

The present study describes and documents self-assembly of geometric triangular chiral hexagon crystal like complex organizations (GTCHC) in human pathological tissues.The authors have found this architectural geometric expression at macroscopic and microscopic levels mainly in cancer processes. This study is based essentially on macroscopic and histopathologic analyses of 3000 surgical specimens: 2600 inflammatory lesions and 400 malignant tumours. Geometric complexes identified photographically at macroscopic level were located in the gross surgical specimen, and these areas were carefully dissected. Samples were taken to carry out histologic analysis. Based on the hypothesis of a collision genesis mechanism and because it is difficult to carry out an appropriate methodological observation in biological systems, the authors designed a model base on other dynamic systems to obtain indirect information in which a strong white flash wave light discharge, generated by an electronic device, hits over the lines of electrical conductance structured in helicoidal pattern. In their experimental model, the authors were able to reproduce and to predict polarity, chirality, helicoid geometry, triangular and hexagonal clusters through electromagnetic sequential collisions. They determined that similar events among constituents of extracelular matrix which drive and produce piezoelectric activity are responsible for the genesis of GTCHC complexes in pathological tissues. This research suggests that molecular crystals represented by triangular chiral hexagons derived from a collision-attraction event against collagen type I fibrils emerge at microscopic and macroscopic scales presenting a lateral assembly of each side of hypertrophy helicoid fibers, that represent energy flow in cooperative hierarchically chiral electromagnetic interaction in pathological tissues and arises as a geometry of the equilibrium in perturbed biological systems. Further interdisciplinary studies must be carried out to reproduce, manipulate and amplify their activity and probably use them as a base to develop new therapeutic strategies in cancer. PMID:18074008

Assembly of tobacco mosaic virus into fibrous and macroscopic bundled arrays mediated by surface aniline polymerization.

PubMed

Niu, Zhongwei; Bruckman, Michael A; Li, Siqi; Lee, L Andrew; Lee, Byeongdu; Pingali, Sai Venkatesh; Thiyagarajan, P; Wang, Qian

2007-06-05

One-dimensional (1D) polyaniline/tobacco mosaic virus (TMV) composite nanofibers and macroscopic bundles of such fibers were generated via a self-assembly process of TMV assisted by in-situ polymerization of polyaniline on the surface of TMV. At near-neutral reaction pH, branched polyaniline formed on the surface of TMV preventing lateral association. Therefore, long 1D nanofibers were observed with high aspect ratios and excellent processibility. At a lower pH, transmission electron microscopy (TEM) analysis revealed that initially long nanofibers were formed which resulted in bundled structures upon long-time reaction, presumably mediated by the hydrophobic interaction because of the polyaniline on the surface of TMV. In-situ time-resolved small-angle X-ray scattering study of TMV at different reaction conditions supported this mechanism. This novel strategy to assemble TMV into 1D and 3D supramolecular composites could be utilized in the fabrication of advanced materials for potential applications including electronics, optics, sensing, and biomedical engineering.

Intraoperative Consultation and Macroscopic Handling: The International Society of Urological Pathology (ISUP) Testicular Cancer Consultation Conference Recommendations.

PubMed

Verrill, Clare; Perry-Keene, Joanna; Srigley, John R; Zhou, Ming; Humphrey, Peter A; Lopez-Beltran, Antonio; Egevad, Lars; Ulbright, Thomas M; Tickoo, Satish K; Epstein, Jonathan I; Compérat, Eva; Berney, Daniel M

2018-06-01

The International Society of Urological Pathology held a conference on issues in testicular and penile pathology in Boston in March 2015, which included a presentation by the testis macroscopic features working group. The presentation focused on current published guidance for macroscopic handling of testicular tumors and retroperitoneal lymph node dissections with a summary of results from an online survey of members preceding the conference. The survey results were used to initiate discussions, but decisions on practice were made by expert consensus rather than voting. The importance of comprehensive assessment at the time of gross dissection with confirmation of findings by microscopic assessment was underscored. For example, the anatomic landmarks denoting the distinction of hilar soft tissue invasion (pT2) from spermatic cord invasion (pT3 category) can only be determined by careful macroscopic assessment in many cases. Other recommendations were to routinely sample epididymis, rete testis, hilar soft tissue, and tunica vaginalis in order to confirm macroscopic invasion of these structures or if not macroscopically evident, to exclude subtle microscopic invasion. Tumors 2 cm or less in greatest dimension should be completely embedded. If the tumor is >2 cm in greatest dimension, 10 blocks or a minimum of 1 to 2 additional blocks per centimeter should be taken (whichever is greater).

Process metallurgy simulation for metal drawing process optimization by using two-scale finite element method

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

Nakamachi, Eiji; Yoshida, Takashi; Yamaguchi, Toshihiko

2014-10-06

We developed two-scale FE analysis procedure based on the crystallographic homogenization method by considering the hierarchical structure of poly-crystal aluminium alloy metal. It can be characterized as the combination of two-scale structure, such as the microscopic polycrystal structure and the macroscopic elastic plastic continuum. Micro polycrystal structure can be modeled as a three dimensional representative volume element (RVE). RVE is featured as by 3×3×3 eight-nodes solid finite elements, which has 216 crystal orientations. This FE analysis code can predict the deformation, strain and stress evolutions in the wire drawing processes in the macro- scales, and further the crystal texture andmore » hardening evolutions in the micro-scale. In this study, we analyzed the texture evolution in the wire drawing processes by our two-scale FE analysis code under conditions of various drawing angles of dice. We evaluates the texture evolution in the surface and center regions of the wire cross section, and to clarify the effects of processing conditions on the texture evolution.« less

Process metallurgy simulation for metal drawing process optimization by using two-scale finite element method

NASA Astrophysics Data System (ADS)

Nakamachi, Eiji; Yoshida, Takashi; Kuramae, Hiroyuki; Morimoto, Hideo; Yamaguchi, Toshihiko; Morita, Yusuke

2014-10-01

We developed two-scale FE analysis procedure based on the crystallographic homogenization method by considering the hierarchical structure of poly-crystal aluminium alloy metal. It can be characterized as the combination of two-scale structure, such as the microscopic polycrystal structure and the macroscopic elastic plastic continuum. Micro polycrystal structure can be modeled as a three dimensional representative volume element (RVE). RVE is featured as by 3×3×3 eight-nodes solid finite elements, which has 216 crystal orientations. This FE analysis code can predict the deformation, strain and stress evolutions in the wire drawing processes in the macro- scales, and further the crystal texture and hardening evolutions in the micro-scale. In this study, we analyzed the texture evolution in the wire drawing processes by our two-scale FE analysis code under conditions of various drawing angles of dice. We evaluates the texture evolution in the surface and center regions of the wire cross section, and to clarify the effects of processing conditions on the texture evolution.

Analysis of synthetic diamond single crystals by X-ray topography and double-crystal diffractometry

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

Prokhorov, I. A., E-mail: igor.prokhorov@mail.ru; Ralchenko, V. G.; Bolshakov, A. P.

2013-12-15

Structural features of diamond single crystals synthesized under high pressure and homoepitaxial films grown by chemical vapor deposition (CVD) have been analyzed by double-crystal X-ray diffractometry and topography. The conditions of a diffraction analysis of diamond crystals using Ge monochromators have been optimized. The main structural defects (dislocations, stacking faults, growth striations, second-phase inclusions, etc.) formed during crystal growth have been revealed. The nitrogen concentration in high-pressure/high-temperature (HPHT) diamond substrates is estimated based on X-ray diffraction data. The formation of dislocation bundles at the film-substrate interface in the epitaxial structures has been revealed by plane-wave topography; these dislocations are likelymore » due to the relaxation of elastic macroscopic stresses caused by the lattice mismatch between the substrate and film. The critical thicknesses of plastic relaxation onset in CVD diamond films are calculated. The experimental techniques for studying the real diamond structure in optimizing crystal-growth technology are proven to be highly efficient.« less

Macroscopic and microscopic analysis of the thumb carpometacarpal ligaments: a cadaveric study of ligament anatomy and histology.

PubMed

Ladd, Amy L; Lee, Julia; Hagert, Elisabet

2012-08-15

Stability and mobility represent the paradoxical demands of the human thumb carpometacarpal joint, yet the structural origin of each functional demand is poorly defined. As many as sixteen and as few as four ligaments have been described as primary stabilizers, but controversy exists as to which ligaments are most important. We hypothesized that a comparative macroscopic and microscopic analysis of the ligaments of the thumb carpometacarpal joint would further define their role in joint stability. Thirty cadaveric hands (ten fresh-frozen and twenty embalmed) from nineteen cadavers (eight female and eleven male; average age at the time of death, seventy-six years) were dissected, and the supporting ligaments of the thumb carpometacarpal joint were identified. Ligament width, length, and thickness were recorded for morphometric analysis and were compared with use of the Student t test. The dorsal and volar ligaments were excised from the fresh-frozen specimens and were stained with use of a triple-staining immunofluorescent technique and underwent semiquantitative analysis of sensory innervation; half of these specimens were additionally analyzed for histomorphometric data. Mixed-effects linear regression was used to estimate differences between ligaments. Seven principal ligaments of the thumb carpometacarpal joint were identified: three dorsal deltoid-shaped ligaments (dorsal radial, dorsal central, posterior oblique), two volar ligaments (anterior oblique and ulnar collateral), and two ulnar ligaments (dorsal trapeziometacarpal and intermetacarpal). The dorsal ligaments were significantly thicker (p < 0.001) than the volar ligaments, with a significantly greater cellularity and greater sensory innervation compared with the anterior oblique ligament (p < 0.001). The anterior oblique ligament was consistently a thin structure with a histologic appearance of capsular tissue with low cellularity. The dorsal deltoid ligament complex is uniformly stout and robust; this ligament complex is the thickest morphometrically, has the highest cellularity histologically, and shows the greatest degree of sensory nerve endings. The hypocellular anterior oblique ligament is thin, is variable in its location, and is more structurally consistent with a capsular structure than a proper ligament.

[Macroscopic haematuria after transurethral resection of the prostate].

PubMed

Normand, Guillaume; Guignet, Julien; Briffaux, Raphaël; Merlet, Benoît; Irani, Jacques; Doré, Bertrand

2006-09-01

Although macroscopic haematuria during the month following transurethral resection of the prostate, due to sloughing of necrotic tissue, is a phenomenon well known to urologists since introduction of endoscopic resection, its pathophysiological and epidemiological characteristics are poorly defined. The objective of this retrospective study was to define the incidence of serious macroscopic haematuria after transurethral resection of the prostate (TURP) and to identify the risk factors for macroscopic haematuria. The hospital database was used to identify patients treated by TURP between 1997 and 2004 and rehospitalized during the 31 days following the procedure. Files of patients presenting with haematuria and bladder clots were selected and analysed. Ten of a series of 624 patients undergoing TURP were hospitalised for bladder clots and their case files were analysed: median age: 72 years, median duration of TURP: 45 min and median weight of resection: 12 g. The operators' experience and the duration of post-TURP catheterization were not informative. In 2 cases, prostate cancer was diagnosed after analysis of resection chips. Two patients were treated by anticoagulants. Patients were essentially rehospitalized during the 2nd week (median: 11th day). A bladder catheter for was inserted for lavage in each case. No patient required reoperation or removal of clots under general anaesthesia. Two patients were transfused. We did not identify any risk factor for sloughing leading to macroscopic haematuria during the month following TURP. Macroscopic haematuria justifying rehospitalization is a rare event. However, in view of this low incidence, optimal analysis could only be performed in the context of a national prospective register.

Scaling of chaos in strongly nonlinear lattices.

PubMed

Mulansky, Mario

2014-06-01

Although it is now understood that chaos in complex classical systems is the foundation of thermodynamic behavior, the detailed relations between the microscopic properties of the chaotic dynamics and the macroscopic thermodynamic observations still remain mostly in the dark. In this work, we numerically analyze the probability of chaos in strongly nonlinear Hamiltonian systems and find different scaling properties depending on the nonlinear structure of the model. We argue that these different scaling laws of chaos have definite consequences for the macroscopic diffusive behavior, as chaos is the microscopic mechanism of diffusion. This is compared with previous results on chaotic diffusion [M. Mulansky and A. Pikovsky, New J. Phys. 15, 053015 (2013)], and a relation between microscopic chaos and macroscopic diffusion is established.

Predicting the Macroscopic Fracture Energy of Epoxy Resins from Atomistic Molecular Simulations

DOE PAGES

Meng, Zhaoxu; Bessa, Miguel A.; Xia, Wenjie; ...

2016-12-06

Predicting the macroscopic fracture energy of highly crosslinked glassy polymers from atomistic simulations is challenging due to the size of the process zone being large in these systems. Here, we present a scale-bridging approach that links atomistic molecular dynamics simulations to macroscopic fracture properties on the basis of a continuum fracture mechanics model for two different epoxy materials. Our approach reveals that the fracture energy of epoxy resins strongly depends on the functionality of epoxy resin and the component ratio between the curing agent (amine) and epoxide. The most intriguing part of our study is that we demonstrate that themore » fracture energy exhibits a maximum value within the range of conversion degrees considered (from 65% to 95%), which can be attributed to the combined effects of structural rigidity and post-yield deformability. Our study provides physical insight into the molecular mechanisms that govern the fracture characteristics of epoxy resins and demonstrates the success of utilizing atomistic molecular simulations towards predicting macroscopic material properties.« less

Predicting the Macroscopic Fracture Energy of Epoxy Resins from Atomistic Molecular Simulations

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

Meng, Zhaoxu; Bessa, Miguel A.; Xia, Wenjie

Predicting the macroscopic fracture energy of highly crosslinked glassy polymers from atomistic simulations is challenging due to the size of the process zone being large in these systems. Here, we present a scale-bridging approach that links atomistic molecular dynamics simulations to macroscopic fracture properties on the basis of a continuum fracture mechanics model for two different epoxy materials. Our approach reveals that the fracture energy of epoxy resins strongly depends on the functionality of epoxy resin and the component ratio between the curing agent (amine) and epoxide. The most intriguing part of our study is that we demonstrate that themore » fracture energy exhibits a maximum value within the range of conversion degrees considered (from 65% to 95%), which can be attributed to the combined effects of structural rigidity and post-yield deformability. Our study provides physical insight into the molecular mechanisms that govern the fracture characteristics of epoxy resins and demonstrates the success of utilizing atomistic molecular simulations towards predicting macroscopic material properties.« less

Designed Er(3+)-singly doped NaYF4 with double excitation bands for simultaneous deep macroscopic and microscopic upconverting bioimaging.

PubMed

Wen, Xuanyuan; Wang, Baoju; Wu, Ruitao; Li, Nana; He, Sailing; Zhan, Qiuqiang

2016-06-01

Simultaneous deep macroscopic imaging and microscopic imaging is in urgent demand, but is challenging to achieve experimentally due to the lack of proper fluorescent probes. Herein, we have designed and successfully synthesized simplex Er(3+)-doped upconversion nanoparticles (UCNPs) with double excitation bands for simultaneous deep macroscopic and microscopic imaging. The material structure and the excitation wavelength of Er(3+)-singly doped UCNPs were further optimized to enhance the upconversion emission efficiency. After optimization, we found that NaYF4:30%Er(3+)@NaYF4:2%Er(3+) could simultaneously achieve efficient two-photon excitation (2PE) macroscopic tissue imaging and three-photon excitation (3PE) deep microscopic when excited by 808 nm continuous wave (CW) and 1480 nm CW lasers, respectively. In vitro cell imaging and in vivo imaging have also been implemented to demonstrate the feasibility and potential of the proposed simplex Er(3+)-doped UCNPs as bioprobe.

Hierarchical macroscopic fibrillar adhesives: in situ study of buckling and adhesion mechanisms on wavy substrates.

PubMed

Bauer, Christina T; Kroner, Elmar; Fleck, Norman A; Arzt, Eduard

2015-10-23

Nature uses hierarchical fibrillar structures to mediate temporary adhesion to arbitrary substrates. Such structures provide high compliance such that the flat fibril tips can be better positioned with respect to asperities of a wavy rough substrate. We investigated the buckling and adhesion of hierarchically structured adhesives in contact with flat smooth, flat rough and wavy rough substrates. A macroscopic model for the structural adhesive was fabricated by molding polydimethylsiloxane into pillars of diameter in the range of 0.3-4.8 mm, with up to three different hierarchy levels. Both flat-ended and mushroom-shaped hierarchical samples buckled at preloads one quarter that of the single level structures. We explain this behavior by a change in the buckling mode; buckling leads to a loss of contact and diminishes adhesion. Our results indicate that hierarchical structures can have a strong influence on the degree of adhesion on both flat and wavy substrates. Strategies are discussed that achieve highly compliant substrates which adhere to rough substrates.

Macroscopic appearance of Type IV and giant Type III is a high risk for a poor prognosis in pathological stage II/III advanced gastric cancer with postoperative adjuvant chemotherapy

PubMed Central

Yamashita, Keishi; Ema, Akira; Hosoda, Kei; Mieno, Hiroaki; Moriya, Hiromitsu; Katada, Natsuya; Watanabe, Masahiko

2017-01-01

AIM To evaluate whether a high risk macroscopic appearance (Type IV and giant Type III) is associated with a dismal prognosis after curative surgery, because its prognostic relevance remains elusive in pathological stage II/III (pStage II/III) gastric cancer. METHODS One hundred and seventy-two advanced gastric cancer (defined as pT2 or beyond) patients with pStage II/III who underwent curative surgery plus adjuvant S1 chemotherapy were evaluated, and the prognostic relevance of a high-risk macroscopic appearance was examined. RESULTS Advanced gastric cancers with a high-risk macroscopic appearance were retrospectively identified by preoperative recorded images. A high-risk macroscopic appearance showed a significantly worse relapse free survival (RFS) (35.7%) and overall survival (OS) (34%) than an average risk appearance (P = 0.0003 and P < 0.0001, respectively). A high-risk macroscopic appearance was significantly associated with the 13th Japanese Gastric Cancer Association (JGCA) pT (P = 0.01), but not with the 13th JGCA pN. On univariate analysis for RFS and OS, prognostic factors included 13th JGCA pStage (P < 0.0001) and other clinicopathological factors including macroscopic appearance. A multivariate Cox proportional hazards model for univariate prognostic factors identified high-risk macroscopic appearance (P = 0.036, HR = 2.29 for RFS and P = 0.021, HR = 2.74 for OS) as an independent prognostic indicator. CONCLUSION A high-risk macroscopic appearance was associated with a poor prognosis, and it could be a prognostic factor independent of 13th JGCA stage in pStage II/III advanced gastric cancer. PMID:28451064

Role of 3D force networks in linking grain scale to macroscale processes in sheared granular debris

NASA Astrophysics Data System (ADS)

Mair, K.; Jettestuen, E.; Abe, S.

2013-12-01

Active faults, landslides and subglacial tills contain accumulations of granular debris that evolve during sliding. The macroscopic motion in these environments is at least to some extent determined by processes operating in this sheared granular material. A valid question is how the local behavior at the individual granular contacts actually sums up to influence macroscopic sliding. Laboratory experiments and numerical modeling can potentially help elucidate this. Observations of jamming (stick) and unjamming (flow) as well as concentrated shear bands on the scale of 5-10 grains suggest that a simple continuum description may be insufficient to capture important elements of the behavior. We therefore seek a measure of the organization of the granular fabric and the 3D structure of the load bearing skeleton that effectively demonstrates how the individual grain interactions are manifested in the macroscopic sliding behavior we observe. Contact force networks are an expression of this. Here we investigate the structure and variability of the most connected system spanning force networks produced in 3D discrete element models of granular layers under shear. We use percolation measures to identify, characterize, compare and track the evolution of these strongly connected contact force networks. We show that specific topological measures used in describing the networks, such as number of contacts and coordination number, are sensitive to grain size distribution (and likely the grain shape) of the material as well as loading conditions. Hence, faults of different maturity would be expected to accommodate shear in different ways. Distinct changes in the topological characteristics i.e. the geometry of strong force networks with accumulated strain are directly correlated to fluctuations in macroscopic shearing resistance. This suggests that 3D force networks play an important bridging role between individual grain scale processes and macroscopic sliding behavior.

Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon

PubMed Central

2015-01-01

We investigate the influence of structural heterogeneity on the transport properties of simple gases in a Hybrid Reverse Monte Carlo (HRMC) constructed model of silicon carbide-derived carbon (SiC-DC). The energy landscape of the system is determined based on free energy analysis of the atomistic model. The overall energy barriers of the system for different gases are computed along with important properties, such as Henry constant and differential enthalpy of adsorption at infinite dilution, and indicate hydrophobicity of the SiC-DC structure and its affinity for CO2 and CH4 adsorption. We also study the effect of molecular geometry, pore structure and energy heterogeneity considering different hopping scenarios for diffusion of CO2 and CH4 through ultramicropores using the Nudged Elastic Band (NEB) method. It is shown that the energy barrier of a hopping molecule is very sensitive to the shape of the pore entry. We provide evidence for the influence of structural heterogeneity on self-diffusivity of methane and carbon dioxide using molecular dynamics simulation, based on a maximum in the variation of self-diffusivity with loading. A comparison of the MD simulation results with self-diffusivities from quasi-elastic neutron scattering (QENS) measurements and, with macroscopic uptake-based low-density transport coefficients, reveals the existence of internal barriers not captured in MD simulation and QENS experiments. Nevertheless, the simulation and macroscopic uptake-based diffusion coefficients agree within a factor of 2–3, indicating that our HRMC model structure captures most of the important energy barriers affecting the transport of CH4 in the nanostructure of SiC-DC. PMID:24932319

Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon.

PubMed

Farmahini, Amir H; Shahtalebi, Ali; Jobic, Hervé; Bhatia, Suresh K

2014-06-05

We investigate the influence of structural heterogeneity on the transport properties of simple gases in a Hybrid Reverse Monte Carlo (HRMC) constructed model of silicon carbide-derived carbon (SiC-DC). The energy landscape of the system is determined based on free energy analysis of the atomistic model. The overall energy barriers of the system for different gases are computed along with important properties, such as Henry constant and differential enthalpy of adsorption at infinite dilution, and indicate hydrophobicity of the SiC-DC structure and its affinity for CO 2 and CH 4 adsorption. We also study the effect of molecular geometry, pore structure and energy heterogeneity considering different hopping scenarios for diffusion of CO 2 and CH 4 through ultramicropores using the Nudged Elastic Band (NEB) method. It is shown that the energy barrier of a hopping molecule is very sensitive to the shape of the pore entry. We provide evidence for the influence of structural heterogeneity on self-diffusivity of methane and carbon dioxide using molecular dynamics simulation, based on a maximum in the variation of self-diffusivity with loading. A comparison of the MD simulation results with self-diffusivities from quasi-elastic neutron scattering (QENS) measurements and, with macroscopic uptake-based low-density transport coefficients, reveals the existence of internal barriers not captured in MD simulation and QENS experiments. Nevertheless, the simulation and macroscopic uptake-based diffusion coefficients agree within a factor of 2-3, indicating that our HRMC model structure captures most of the important energy barriers affecting the transport of CH 4 in the nanostructure of SiC-DC.

Drying-induced atomic structural rearrangements in sodium-based calcium-alumino-silicate-hydrate gel and the mitigating effects of ZrO2 nanoparticles

NASA Astrophysics Data System (ADS)

Yang, Kengran; Özçelik, V. Ongun; Garg, Nishant; Gong, Kai; White, Claire E.

Conventional drying of colloidal materials and gels (including cement) can lead to detrimental effects due to the buildup of internal stresses as water evaporates from the nano/microscopic pores. However, the underlying nanoscopic alterations in these gel materials that are, in part, responsible for macroscopically-measured strain values, especially at low relative humidity, remain a topic of open debate in the literature. In this study, sodium-based calcium-alumino-silicate-hydrate (C-(N)-A-S-H) gel, the major binding phase of silicate-activated blast furnace slag (one type of low-CO$_2$ cement), is investigated from a drying perspective, since it is known to suffer extensively from drying-induced microcracking. By employing in situ synchrotron X-ray total scattering measurements and pair distribution function (PDF) analysis we show that the significant contributing factor to the strain development in this material at extremely low relative humidity (0%) is the local atomic structural rearrangement of the C-(N)-A-S-H gel, including collapse of interlayer spacing and slight disintegration of the gel. Moreover, analysis of the medium range (1.0 - 2.2 nm) ordering in the PDF data reveals that the PDF-derived strain values are in much closer agreement (same order of magnitude) with the macroscopically measured strain data, compared to previous results based on reciprocal space X-ray diffraction data. From a mitigation standpoint, we show that small amounts of ZrO$_2$ nanoparticles are able to actively reinforce the structure of silicate-activated slag during drying, preventing atomic level strains from developing. Mechanistically, these nanoparticles induce growth of a silica-rich gel during drying, which, via density functional theory calculations, we show is attributed to the high surface reactivity of tetragonal ZrO$_2$.

Evaluation of coronary stenosis with the aid of quantitative image analysis in histological cross sections.

PubMed

Dulohery, Kate; Papavdi, Asteria; Michalodimitrakis, Manolis; Kranioti, Elena F

2012-11-01

Coronary artery atherosclerosis is a hugely prevalent condition in the Western World and is often encountered during autopsy. Atherosclerotic plaques can cause luminal stenosis: which, if over a significant level (75%), is said to contribute to cause of death. Estimation of stenosis can be macroscopically performed by the forensic pathologists at the time of autopsy or by microscopic examination. This study compares macroscopic estimation with quantitative microscopic image analysis with a particular focus on the assessment of significant stenosis (>75%). A total of 131 individuals were analysed. The sample consists of an atherosclerotic group (n=122) and a control group (n=9). The results of the two methods were significantly different from each other (p=0.001) and the macroscopic method gave a greater percentage stenosis by an average of 3.5%. Also, histological examination of coronary artery stenosis yielded a difference in significant stenosis in 11.5% of cases. The differences were attributed to either histological quantitative image analysis underestimation; gross examination overestimation; or, a combination of both. The underestimation may have come from tissue shrinkage during tissue processing for histological specimen. The overestimation from the macroscopic assessment can be attributed to the lumen shape, to the examiner observer error or to a possible bias to diagnose coronary disease when no other cause of death is apparent. The results indicate that the macroscopic estimation is open to more biases and that histological quantitative image analysis only gives a precise assessment of stenosis ex vivo. Once tissue shrinkage, if any, is accounted for then histological quantitative image analysis will yield a more accurate assessment of in vivo stenosis. It may then be considered a complementary tool for the examination of coronary stenosis. Copyright © 2012 Elsevier Ltd and Faculty of Forensic and Legal Medicine. All rights reserved.

Evolution of twinning in extruded AZ31 alloy with bimodal grain structure

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

Garcés, G., E-mail: ggarces@cenim.csic.es

2017-04-15

Twinning in extruded AZ31 alloy with a bimodal grain structure is studied under compression along the extrusion direction. This study has combined in-situ measurements during the compression tests by Synchrotron Radiation Diffraction and Acoustic Emission techniques and the evaluation of the microstructure and texture in post-mortem compression samples deformed at different strains. The microstructure of the alloy is characterized by the coexistence of large areas of fine dynamic recrystallized grains and coarse non-recrystallized grains elongated along extrusion direction. Twinning occurs initially in large elongated grains before the macroscopic yield stress which is controlled by the twinning in equiaxed dynamically recrystallizedmore » grains. - Highlights: • The AZ31 extruded at low temperature exhibits a bimodal grains structure. • Twinning takes place before macroscopic yielding in coarse non-DRXed grains. • DRXed grains controls the beginning of plasticity in magnesium alloys with bimodal grain structure.« less

How mesoscopic staircases condense to macroscopic barriers in confined plasma turbulence

NASA Astrophysics Data System (ADS)

Ashourvan, Arash; Diamond, P. H.

2016-11-01

This Rapid Communication sets forth the mechanism by which mesoscale staircase structures condense to form macroscopic states of enhanced confinement. Density, vorticity, and turbulent potential enstrophy are the variables for this model. Formation of the staircase structures is due to inhomogeneous mixing of (generalized) potential vorticity (PV). Such mixing results in the local sharpening of density and vorticity gradients. When PV gradients steepen, the density staircase structure develops into a lattice of mesoscale "jumps" and "steps," which are, respectively, regions of local gradient steepening and flattening. The jumps then merge and migrate in radius, leading to the emergence of a new macroscale profile structure, so indicating that profile self-organization is a global process, which may be described by a local, but nonlinear model. This work predicts and demonstrates how mesoscale condensation of staircases leads to global states of enhanced confinement.

A Novel Class of Helical Nanostructures: Paradigms for their Design and Synthesis Using Imprint Lithography and Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Smalling, David

2006-03-01

This research focuses on the use of solenoid-like configurations which are both microscopic and macroscopic, to make energy conversions between electrical energy and other forms. Numerous conceptual models are to be evaluated for the construction of an environment in which a charged particle could be allowed travel along a helical path of extremely small pitch and comparatively large large radius. The two main types of solenoid designs discussed, are lithographically synthesized solenoids and coiled carbon nano tube solenoids. For future identification the family of structures described will be referred to as Zeta (ζ) Structures. In the case of a ζ solenoid, the objective would be to create a solenoid whose general structure is macroscopic but comprises a conductive trace which is on the nano-scale, In the case of such a solenoid the current flowing I and the magnetic flux B would be related approximately by B 1.256x10^3I. Such a situation gives rise to a very fascinating relationship between B and I. This means that if a current of say 1 ampere was made to flow through the solenoid, a magnetic flux of 1250 Tesla would be generated. The defining characteristic of ζ structures is their overall macroscopic dimensions which comprise high level nano-scale repetition. This research discusses theoretical propositions for the development of a class sub micron structures defined by a unique helical foundation, to be used for the generation of magnetic fields.

Determination of strain fields in porous shape memory alloys using micro-computed tomography

NASA Astrophysics Data System (ADS)

Bormann, Therese; Friess, Sebastian; de Wild, Michael; Schumacher, Ralf; Schulz, Georg; Müller, Bert

2010-09-01

Shape memory alloys (SMAs) belong to 'intelligent' materials since the metal alloy can change its macroscopic shape as the result of the temperature-induced, reversible martensite-austenite phase transition. SMAs are often applied for medical applications such as stents, hinge-less instruments, artificial muscles, and dental braces. Rapid prototyping techniques, including selective laser melting (SLM), allow fabricating complex porous SMA microstructures. In the present study, the macroscopic shape changes of the SMA test structures fabricated by SLM have been investigated by means of micro computed tomography (μCT). For this purpose, the SMA structures are placed into the heating stage of the μCT system SkyScan 1172™ (SkyScan, Kontich, Belgium) to acquire three-dimensional datasets above and below the transition temperature, i.e. at room temperature and at about 80°C, respectively. The two datasets were registered on the basis of an affine registration algorithm with nine independent parameters - three for the translation, three for the rotation and three for the scaling in orthogonal directions. Essentially, the scaling parameters characterize the macroscopic deformation of the SMA structure of interest. Furthermore, applying the non-rigid registration algorithm, the three-dimensional strain field of the SMA structure on the micrometer scale comes to light. The strain fields obtained will serve for the optimization of the SLM-process and, more important, of the design of the complex shaped SMA structures for tissue engineering and medical implants.

Effects of bacterial infestation caused by human wastes on the skin structures of Mugil platanus Günther, 1880 (Mugilidae).

PubMed

Langer, S L; Vargas, V M F; Flores-Lopes, F; Malabarba, L R

2009-05-01

Manifestation of infectious pathologies in fishes usually increases in environments where organic wastes are disposed. Specimens of Mugil platanus Günther, 1880 and water samples collected at three points of the Tramandaí river were analyzed during a one year period. The macroscopic observation revealed ulcerations in the caudal peduncle area covered with a mass of amorphous and whitened tissues. Histopathologic analysis showed the presence of negative gram bacteria, probably responsible for alterations of the normal structure of the epidermic tissues. Non-parametric statistical analysis for ammonia concentration showed a significant variation among the three collected spots as well as in the multiple comparison between two spots. In this study, we describe cutaneous lesions observed in Mugil platanus specimens and tested their correlation with environmental ammonia concentration.

Nanoporous thermosetting polymers.

PubMed

Raman, Vijay I; Palmese, Giuseppe R

2005-02-15

Potential applications of nanoporous thermosetting polymers include polyelectrolytes in fuel cells, separation membranes, adsorption media, and sensors. Design of nanoporous polymers for such applications entails controlling permeability by tailoring pore size, structure, and interface chemistry. Nanoporous thermosetting polymers are often synthesized via free radical mechanisms using solvents that phase separate during polymerization. In this work, a novel technique for the synthesis of nanoporous thermosets is presented that is based on the reactive encapsulation of an inert solvent using step-growth cross-linking polymerization without micro/macroscopic phase separation. The criteria for selecting such a monomer-polymer-solvent system are discussed based on FTIR analysis, observed micro/macroscopic phase separation, and thermodynamics of swelling. Investigation of resulting network pore structures by scanning electron microscopy (SEM) and small-angle X-ray scattering following extraction and supercritical drying using carbon dioxide showed that nanoporous polymeric materials with pore sizes ranging from 1 to 50 nm can be synthesized by varying the solvent content. The differences in the porous morphology of these materials compared to more common free radically polymerized analogues that exhibit phase separation were evident from SEM imaging. Furthermore, it was demonstrated that the chemical activity of the nanoporous materials obtained by our method could be tailored by grafting appropriate functional groups at the pore interface.

Porous biodegradable lumbar interbody fusion cage design and fabrication using integrated global-local topology optimization with laser sintering.

PubMed

Kang, Heesuk; Hollister, Scott J; La Marca, Frank; Park, Paul; Lin, Chia-Ying

2013-10-01

Biodegradable cages have received increasing attention for their use in spinal procedures involving interbody fusion to resolve complications associated with the use of nondegradable cages, such as stress shielding and long-term foreign body reaction. However, the relatively weak initial material strength compared to permanent materials and subsequent reduction due to degradation may be problematic. To design a porous biodegradable interbody fusion cage for a preclinical large animal study that can withstand physiological loads while possessing sufficient interconnected porosity for bony bridging and fusion, we developed a multiscale topology optimization technique. Topology optimization at the macroscopic scale provides optimal structural layout that ensures mechanical strength, while optimally designed microstructures, which replace the macroscopic material layout, ensure maximum permeability. Optimally designed cages were fabricated using solid, freeform fabrication of poly(ε-caprolactone) mixed with hydroxyapatite. Compression tests revealed that the yield strength of optimized fusion cages was two times that of typical human lumbar spine loads. Computational analysis further confirmed the mechanical integrity within the human lumbar spine, although the pore structure locally underwent higher stress than yield stress. This optimization technique may be utilized to balance the complex requirements of load-bearing, stress shielding, and interconnected porosity when using biodegradable materials for fusion cages.

Characterization of a defective PbWO4 crystal cut along the a-c crystallographic plane: structural assessment and a novel photoelastic stress analysis

NASA Astrophysics Data System (ADS)

Montalto, L.; Natali, P. P.; Daví, F.; Mengucci., P.; Paone, N.; Rinaldi, D.

2017-12-01

Among scintillators, the PWO is one of the most widely used, for instance in CMS calorimeter at CERN and PANDA project. Crystallographic structure and chemical composition as well as residual stress condition, are indicators of homogeneity and good quality of the crystal. In this paper, structural characterization of a defective PbWO4 (PWO) crystal has been performed by X-ray Diffraction (XRD), Energy Dispersive Spectroscopy (EDS) and Photoelasticity in the unusual (a, c) crystallographic plane. XRD and EDS analysis have been used to investigate crystallographic orientation and chemical composition, while stress distribution, which indicates macroscopic inhomogeneities and defects, has been obtained by photoelastic approaches, in Conoscopic and Sphenoscopic configuration. Since the sample is cut along the (a, c) crystallographic plane, a new method is proposed for the interpretation of the fringe pattern. The structural analysis has detected odds from the nominal lattice dimension, which can be attributed to the strong presence of Pb and W. A strong inhomogeneity over the crystal sample has been revealed by the photoelastic inspection. The results give reliability to the proposed procedure which is exploitable in crystals with other structures.

An Analysis of Indonesian and Japanese Students' Understandings of Macroscopic and Submicroscopic Levels of Representing Matter and Its Changes

ERIC Educational Resources Information Center

Rahayu, Sri; Kita, Masakazu

2010-01-01

This study investigated Indonesian and Japanese students' understandings of macroscopic and submicroscopic levels of representing matter and its changes and the difficulties they have with these concepts. A multiple-choice questionnaire was constructed and delivered to 447 Indonesian and 446 Japanese public senior high school students. The data…

Image-Based Macro-Micro Finite Element Models of a Canine Femur with Implant Design Implications

NASA Astrophysics Data System (ADS)

Ghosh, Somnath; Krishnan, Ganapathi; Dyce, Jonathan

2006-06-01

In this paper, a comprehensive model of a bone-cement-implant assembly is developed for a canine cemented femoral prosthesis system. Various steps in this development entail profiling the canine femur contours by computed tomography (CT) scanning, computer aided design (CAD) reconstruction of the canine femur from CT images, CAD modeling of the implant from implant blue prints and CAD modeling of the interface cement. Finite element analysis of the macroscopic assembly is conducted for stress analysis in individual components of the system, accounting for variation in density and material properties in the porous bone material. A sensitivity analysis is conducted with the macroscopic model to investigate the effect of implant design variables on the stress distribution in the assembly. Subsequently, rigorous microstructural analysis of the bone incorporating the morphological intricacies is conducted. Various steps in this development include acquisition of the bone microstructural data from histological serial sectioning, stacking of sections to obtain 3D renderings of void distributions, microstructural characterization and determination of properties and, finally, microstructural stress analysis using a 3D Voronoi cell finite element method. Generation of the simulated microstructure and analysis by the 3D Voronoi cell finite element model provides a new way of modeling complex microstructures and correlating to morphological characteristics. An inverse calculation of the material parameters of bone by combining macroscopic experiments with microstructural characterization and analysis provides a new approach to evaluating properties without having to do experiments at this scale. Finally, the microstructural stresses in the femur are computed using the 3D VCFEM to study the stress distribution at the scale of the bone porosity. Significant difference is observed between the macroscopic stresses and the peak microscopic stresses at different locations.

Inverse Bayesian inference as a key of consciousness featuring a macroscopic quantum logical structure.

PubMed

Gunji, Yukio-Pegio; Shinohara, Shuji; Haruna, Taichi; Basios, Vasileios

2017-02-01

To overcome the dualism between mind and matter and to implement consciousness in science, a physical entity has to be embedded with a measurement process. Although quantum mechanics have been regarded as a candidate for implementing consciousness, nature at its macroscopic level is inconsistent with quantum mechanics. We propose a measurement-oriented inference system comprising Bayesian and inverse Bayesian inferences. While Bayesian inference contracts probability space, the newly defined inverse one relaxes the space. These two inferences allow an agent to make a decision corresponding to an immediate change in their environment. They generate a particular pattern of joint probability for data and hypotheses, comprising multiple diagonal and noisy matrices. This is expressed as a nondistributive orthomodular lattice equivalent to quantum logic. We also show that an orthomodular lattice can reveal information generated by inverse syllogism as well as the solutions to the frame and symbol-grounding problems. Our model is the first to connect macroscopic cognitive processes with the mathematical structure of quantum mechanics with no additional assumptions. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

A two-scale model for dynamic damage evolution

NASA Astrophysics Data System (ADS)

Keita, Oumar; Dascalu, Cristian; François, Bertrand

2014-03-01

This paper presents a new micro-mechanical damage model accounting for inertial effect. The two-scale damage model is fully deduced from small-scale descriptions of dynamic micro-crack propagation under tensile loading (mode I). An appropriate micro-mechanical energy analysis is combined with homogenization based on asymptotic developments in order to obtain the macroscopic evolution law for damage. Numerical simulations are presented in order to illustrate the ability of the model to describe known behaviors like size effects for the structural response, strain-rate sensitivity, brittle-ductile transition and wave dispersion.

Spin-Polarized Scanning Tunneling Microscope for Atomic-Scale Studies of Spin Transport, Spin Relaxation, and Magnetism in Graphene

DTIC Science & Technology

2017-11-09

to correlate the atomic-scale magnetism and spin density with the macroscopic spin transport properties of 2D materials. This is a long-term effort...devices, our goal is to correlate the atomic-scale magnetism and spin density with the macroscopic spin transport properties of 2D materials. This is a... correlate the change in transport with the atomic structure of hydrogen-doped graphene, we subsequently use the STM to investigate the graphene

General theory of skin reinforcement.

PubMed

Kruglikov, Ilja L; Scherer, Philipp E

2017-01-01

Macroscopic mechanical properties of human skin in vivo cannot be considered independent of adjacent subcutaneous white adipose tissue (sWAT). The layered system skin/sWAT appears as the hierarchical structural composite in which single layers behave as fiber-reinforced structures. Effective macroscopic mechanical properties of such composites are mainly determined either by the properties of the skin or by those of the sWAT, dependent on the conditions of mechanical loading. Mechanical interactions between the skin and the adjacent sWAT associated with a mismatch in the mechanical moduli of these two layers can lead to production of the skin wrinkles. Reinforcement of the composite skin/sWAT can take place in different ways. It can be provided through reorientation of collagen fibers under applied loading, through production of new bonds between existing collagen fibers and through induction of additional collagen structures. Effectiveness of this type of reinforcement is strongly dependent on the type of mechanical loading. Different physical interventions induce the reinforcement of at least one of these two layers, thus increasing the effective macroscopic stiffness of the total composite. At the same time, the standalone reinforcement of the skin appears to be less effective to achieve a delay or a reduction of the apparent signs of skin aging relative to the reinforcement of the sWAT.

Fully kinetic simulations of collisionless, mesothermal plasma emission: Macroscopic plume structure and microscopic electron characteristics

NASA Astrophysics Data System (ADS)

Hu, Yuan; Wang, Joseph

2017-03-01

This paper presents a fully kinetic particle particle-in-cell simulation study on the emission of a collisionless plasma plume consisting of cold beam ions and thermal electrons. Results are presented for both the two-dimensional macroscopic plume structure and the microscopic electron kinetic characteristics. We find that the macroscopic plume structure exhibits several distinctive regions, including an undisturbed core region, an electron cooling expansion region, and an electron isothermal expansion region. The properties of each region are determined by microscopic electron kinetic characteristics. The division between the undisturbed region and the cooling expansion region approximately matches the Mach line generated at the edge of the emission surface, and that between the cooling expansion region and the isothermal expansion region approximately matches the potential well established in the beam. The interactions between electrons and the potential well lead to a new, near-equilibrium state different from the initial distribution for the electrons in the isothermal expansion region. The electron kinetic characteristics in the plume are also very anisotropic. As the electron expansion process is mostly non-equilibrium and anisotropic, the commonly used assumption that the electrons in a collisionless, mesothermal plasma plume may be treated as a single equilibrium fluid in general is not valid.

Exploring Solid-State Structure and Physical Properties: A Molecular and Crystal Model Exercise

ERIC Educational Resources Information Center

Bindel, Thomas H.

2008-01-01

A crystal model laboratory exercise is presented that allows students to examine relations among the microscopic-macroscopic-symbolic levels, using crystalline mineral samples and corresponding crystal models. Students explore the relationship between solid-state structure and crystal form. Other structure-property relationships are explored. The…

On localization and void coalescence as a precursor to ductile fracture.

PubMed

Tekoğlu, C; Hutchinson, J W; Pardoen, T

2015-03-28

Two modes of plastic flow localization commonly occur in the ductile fracture of structural metals undergoing damage and failure by the mechanism involving void nucleation, growth and coalescence. The first mode consists of a macroscopic localization, usually linked to the softening effect of void nucleation and growth, in either a normal band or a shear band where the thickness of the band is comparable to void spacing. The second mode is coalescence with plastic strain localizing to the ligaments between voids by an internal necking process. The ductility of a material is tied to the strain at macroscopic localization, as this marks the limit of uniform straining at the macroscopic scale. The question addressed is whether macroscopic localization occurs prior to void coalescence or whether the two occur simultaneously. The relation between these two modes of localization is studied quantitatively in this paper using a three-dimensional elastic-plastic computational model representing a doubly periodic array of voids within a band confined between two semi-infinite outer blocks of the same material but without voids. At sufficiently high stress triaxiality, a clear separation exists between the two modes of localization. At lower stress triaxialities, the model predicts that the onset of macroscopic localization and coalescence occur simultaneously. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

The flow of plasma in the solar terrestrial environment

NASA Technical Reports Server (NTRS)

Schunk, R. W.

1992-01-01

The overall goal of our NASA Theory Program is to study the coupling, time delays, and feedback mechanisms between the various regions of the solar-terrestrial system in a self-consistent, quantitative manner. To accomplish this goal, it will eventually be necessary to have time-dependent macroscopic models of the different regions of the solar-terrestrial system and we are continually working toward this goal. However, our immediate emphasis is on the near-earth plasma environment, including the ionosphere, the plasmasphere, and the polar wind. In this area, we have developed unique global models that allow us to study the coupling between the different regions. Another important aspect of our NASA Theory Program concerns the effect that localized structure has on the macroscopic flow in the ionosphere, plasmasphere, thermosphere, and polar wind. The localized structure can be created by structured magnetospheric inputs (i.e., structured plasma convection, particle precipitation or Birkeland current patterns) or time variations in these inputs due to storms and substorms. Also, some of the plasma flows that we predict with our macroscopic models may be unstable, and another one of our goals is to examine the stability of our predicted flows. Because time-dependent, three-dimensional numerical models of the solar-terrestrial environment generally require extensive computer resources, they are usually based on relatively simple mathematical formulations (i.e., simple MHD or hydrodynamic formulation). Therefore, another long-range goal of our NASA Theory Program is to study the conditions under which various mathematical formulations can be applied to specific solar-terrestrial regions. This may involve a detailed comparison of kinetic, semikinetic, and hydrodynamic predictions for a given polar wind scenario or it may involve the comparison of a small-scale particle-in-cell (PIC) simulation of a plasma expansion event with a similar macroscopic expansion event. The different mathematical formulations have different strengths and weaknesses and a careful comparison of model predictions for similar geophysical situations will provide insight into when the various models can be used with confidence.

Micro and macroscopic investigation to quantify tillage impact on soil hydrodynamic behaviour

NASA Astrophysics Data System (ADS)

Beckers, E.; Roisin, C.; Plougonven, E.; Deraedt, D.; Léonard, A.; Degré, A.

2012-04-01

Nowadays, tillage simplification is an increasing practice. Many advantages are cited in the literature, such as energy saving, soil conservation etc. Agricultural management practices influence soil structure, but consequent changes in soil hydrodynamic behaviour at the field scale are still not well understood. Many studies focus only on macroscopic measurements which do not provide mechanistic explanations. Moreover, research shows divergent conclusions over structure modification. The aim of this work is to fill this gap by quantifying soil structure modification depending on tillage intensity through both macroscopic and microscopic measurements, the latter improving our comprehension of the fundamental mechanisms involved. Our experiment takes place in Gentinnes (Walloon Brabant, Belgium), on a field organized in a Latin square scheme. Since 2004, plots have been cultivated in conventional tillage (CT) or in reduced tillage (RT). The latter consists in sowing after stubble ploughing of about 10cm. The crop rotation is sugar beet followed by winter wheat. The soil is mainly composed of silt loam and can be classified as a Luvisol. Macroscopic investigations consist in establishing pF and K(h) curves and 3D soil strength profiles. At the microscale, 3D morphologic parameters are measured using X-ray microtomography. Because of the variation of working depth between management practices (10cm for RT vs. 25cm for CT), two horizons were investigated: H1 between 0-10cm and H2 between 12-25cm. 3D soil strength profiles were established thanks to a fully automated penetrometer (30° angle cone with a base area of 10mm2) which covered a 160 × 80cm2 area with 5cm spacing between neighbouring points. At each node, penetration was performed and soil strength measurements were collected every 1cm from 5 to 55cm depth. K(h) curves were provided by 20cm diameter tension-infiltrometer measurements (Eijkelkamp Agrisearch Equipment). Undisturbed soil samples were removed from H1 and H2 for both management practices: 100cm3 samples were used to establish pF curves with the Richards procedure, and 35cm3 samples were used for X-ray microtomography investigation. Samples for microtomography were air-dried at 40°C in order to empty meso- and macroporosity and then scanned using a Skyscan-1172 high-resolution desktop micro-CT system (Skyscan, Kontich, Belgium). Macroscopic measurements show consistent results: penetrometry profiles confirm the presence of two different horizons for RT, with a permeable superficial horizon between 0 and 10cm and a compacted subjacent horizon. Despite the long-term experiment, the old plough pan is still observed. The superficial horizon is equivalent in terms of pF curves to CT. The second horizon in RT shows significant differences with CT: porosity and especially effective porosity are greater for CT than RT. Infiltration tests confirm these reports with a higher conductivity for CT than RT. In fact, the first permeable horizon for RT is thin and the second horizon impacts vertical infiltration. These observations will be completed with microtomograms analysis. Pore size distribution, but particularly morphological parameters like eccentricity, orientation, connectivity and anisotropy of the pore network will be quantified and connected with macroscopic measurements.

High-throughput imaging of adult fluorescent zebrafish with an LED fluorescence macroscope

PubMed Central

Blackburn, Jessica S; Liu, Sali; Raimondi, Aubrey R; Ignatius, Myron S; Salthouse, Christopher D; Langenau, David M

2011-01-01

Zebrafish are a useful vertebrate model for the study of development, behavior, disease and cancer. A major advantage of zebrafish is that large numbers of animals can be economically used for experimentation; however, high-throughput methods for imaging live adult zebrafish had not been developed. Here, we describe protocols for building a light-emitting diode (LED) fluorescence macroscope and for using it to simultaneously image up to 30 adult animals that transgenically express a fluorescent protein, are transplanted with fluorescently labeled tumor cells or are tagged with fluorescent elastomers. These protocols show that the LED fluorescence macroscope is capable of distinguishing five fluorescent proteins and can image unanesthetized swimming adult zebrafish in multiple fluorescent channels simultaneously. The macroscope can be built and used for imaging within 1 day, whereas creating fluorescently labeled adult zebrafish requires 1 hour to several months, depending on the method chosen. The LED fluorescence macroscope provides a low-cost, high-throughput method to rapidly screen adult fluorescent zebrafish and it will be useful for imaging transgenic animals, screening for tumor engraftment, and tagging individual fish for long-term analysis. PMID:21293462

Testing quantum mechanics against macroscopic realism using the output of {chi}{sup (2)} nonlinearity

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

Podoshvedov, Sergey A.; Kim, Jaewan

2006-09-15

We suggest an all-optical scheme to generate entangled superposition of a single photon with macroscopic entangled states for testing macroscopic realism. The scheme consists of source of single photons, a Mach-Zehnder interferometer in routes of which a system of coupled-down converters with type-I phase matching is inserted, and a beam splitter for the other auxiliary modes of the scheme. We use quantization of the pumping modes, depletion of the coherent states passing through the system, and interference effect in the pumping modes in the process of erasing which-path information of the single-photon on exit from the Mach-Zehnder interferometer. We showmore » the macroscopic fields of the output superposition are distinguishable states. This scheme generates macroscopic entangled state that violates Bell's inequality. Moreover, the detailed analysis concerning change of amplitudes of entangled superposition by means of repeating this process many times is accomplished. We show our scheme works without photon number resolving detection and it is robust to detector inefficiency.« less

Hybrid methods for witnessing entanglement in a microscopic-macroscopic system

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

Spagnolo, Nicolo; Consorzio Nazionale Interuniversitario per le Scienze Fisiche della Materia, Piazzale Aldo Moro 5, I-00185 Roma; Vitelli, Chiara

2011-09-15

We propose a hybrid approach to the experimental assessment of the genuine quantum features of a general system consisting of microscopic and macroscopic parts. We infer entanglement by combining dichotomic measurements on a bidimensional system and phase-space inference through the Wigner distribution associated with the macroscopic component of the state. As a benchmark, we investigate the feasibility of our proposal in a bipartite-entangled state composed of a single-photon and a multiphoton field. Our analysis shows that, under ideal conditions, maximal violation of a Clauser-Horne-Shimony-Holt-based inequality is achievable regardless of the number of photons in the macroscopic part of the state.more » The difficulty in observing entanglement when losses and detection inefficiency are included can be overcome by using a hybrid entanglement witness that allows efficient correction for losses in the few-photon regime.« less

Macroscopic Models of Local Field Potentials and the Apparent 1/f Noise in Brain Activity

PubMed Central

Bédard, Claude; Destexhe, Alain

2009-01-01

The power spectrum of local field potentials (LFPs) has been reported to scale as the inverse of the frequency, but the origin of this 1/f noise is at present unclear. Macroscopic measurements in cortical tissue demonstrated that electric conductivity (as well as permittivity) is frequency-dependent, while other measurements failed to evidence any dependence on frequency. In this article, we propose a model of the genesis of LFPs that accounts for the above data and contradictions. Starting from first principles (Maxwell equations), we introduce a macroscopic formalism in which macroscopic measurements are naturally incorporated, and also examine different physical causes for the frequency dependence. We suggest that ionic diffusion primes over electric field effects, and is responsible for the frequency dependence. This explains the contradictory observations, and also reproduces the 1/f power spectral structure of LFPs, as well as more complex frequency scaling. Finally, we suggest a measurement method to reveal the frequency dependence of current propagation in biological tissue, and which could be used to directly test the predictions of this formalism. PMID:19348744

Failure Analysis of Main Flame Deflector Nelson Studs

NASA Technical Reports Server (NTRS)

Long, Victoria

2009-01-01

NASA Structures engineers submitted two Nelson refractory studs from the main flame deflector at Launch Complex (LC) 39 A for analysis when they were observed to be missing a significant amount of material after launch. The damaged stud and an unused comparative stud were analyzed by macroscopic and microscopic examination along with metallographic evaluation of the microstructure. The stud lost material due to a combination of erosion and corrosion. Plain carbon steel readily forms an oxide layer in the coastal launch environment at Kennedy Space Center. The blast during a launch removes this brittle oxide layer, which then forms again post-launch, thereby further removing material. No indications of melting were observed.

Tipping the Scale from Disorder to Alpha-helix: Folding of Amphiphilic Peptides in the Presence of Macroscopic and Molecular Interfaces

PubMed Central

Dalgicdir, Cahit; Globisch, Christoph; Peter, Christine; Sayar, Mehmet

2015-01-01

Secondary amphiphilicity is inherent to the secondary structural elements of proteins. By forming energetically favorable contacts with each other these amphiphilic building blocks give rise to the formation of a tertiary structure. Small proteins and peptides, on the other hand, are usually too short to form multiple structural elements and cannot stabilize them internally. Therefore, these molecules are often found to be structurally ambiguous up to the point of a large degree of intrinsic disorder in solution. Consequently, their conformational preference is particularly susceptible to environmental conditions such as pH, salts, or presence of interfaces. In this study we use molecular dynamics simulations to analyze the conformational behavior of two synthetic peptides, LKKLLKLLKKLLKL (LK) and EAALAEALAEALAE (EALA), with built-in secondary amphiphilicity upon forming an alpha-helix. We use these model peptides to systematically study their aggregation and the influence of macroscopic and molecular interfaces on their conformational preferences. We show that the peptides are neither random coils in bulk water nor fully formed alpha helices, but adopt multiple conformations and secondary structure elements with short lifetimes. These provide a basis for conformation-selection and population-shift upon environmental changes. Differences in these peptides’ response to macroscopic and molecular interfaces (presented by an aggregation partner) can be linked to their inherent alpha-helical tendencies in bulk water. We find that the peptides’ aggregation behavior is also strongly affected by presence or absence of an interface, and rather subtly depends on their surface charge and hydrophobicity. PMID:26295346

Tipping the Scale from Disorder to Alpha-helix: Folding of Amphiphilic Peptides in the Presence of Macroscopic and Molecular Interfaces.

PubMed

Dalgicdir, Cahit; Globisch, Christoph; Peter, Christine; Sayar, Mehmet

2015-08-01

Secondary amphiphilicity is inherent to the secondary structural elements of proteins. By forming energetically favorable contacts with each other these amphiphilic building blocks give rise to the formation of a tertiary structure. Small proteins and peptides, on the other hand, are usually too short to form multiple structural elements and cannot stabilize them internally. Therefore, these molecules are often found to be structurally ambiguous up to the point of a large degree of intrinsic disorder in solution. Consequently, their conformational preference is particularly susceptible to environmental conditions such as pH, salts, or presence of interfaces. In this study we use molecular dynamics simulations to analyze the conformational behavior of two synthetic peptides, LKKLLKLLKKLLKL (LK) and EAALAEALAEALAE (EALA), with built-in secondary amphiphilicity upon forming an alpha-helix. We use these model peptides to systematically study their aggregation and the influence of macroscopic and molecular interfaces on their conformational preferences. We show that the peptides are neither random coils in bulk water nor fully formed alpha helices, but adopt multiple conformations and secondary structure elements with short lifetimes. These provide a basis for conformation-selection and population-shift upon environmental changes. Differences in these peptides' response to macroscopic and molecular interfaces (presented by an aggregation partner) can be linked to their inherent alpha-helical tendencies in bulk water. We find that the peptides' aggregation behavior is also strongly affected by presence or absence of an interface, and rather subtly depends on their surface charge and hydrophobicity.

Characterizing Crystalline-Vitreous Structures: From Atomically Resolved Silica to Macroscopic Bubble Rafts

ERIC Educational Resources Information Center

Burson, Kristen M.; Schlexer, Philomena; Bu¨chner, Christin; Lichtenstein, Leonid; Heyde, Markus; Freund, Hans-Joachim

2015-01-01

A two-part experiment using bubble rafts to analyze amorphous structures is presented. In the first part, the distinctions between crystalline and vitreous structures are examined. In the second part, the interface between crystalline and amorphous regions is considered. Bubble rafts are easy to produce and provide excellent analogy to recent…

An Investigation of College Chemistry Students' Understanding of Structure-Property Relationships

ERIC Educational Resources Information Center

Cooper, Melanie M.; Corley, Leah M.; Underwood, Sonia M.

2013-01-01

The connection between the molecular-level structure of a substance and its macroscopic properties is a fundamental concept in chemistry. Students in college-level general and organic chemistry courses were interviewed to investigate how they used structure-property relationships to predict properties such as melting and boiling points. Although…

The macroscopic delamination of thin films from elastic substrates

PubMed Central

Vella, Dominic; Bico, José; Boudaoud, Arezki; Roman, Benoit; Reis, Pedro M.

2009-01-01

The wrinkling and delamination of stiff thin films adhered to a polymer substrate have important applications in “flexible electronics.” The resulting periodic structures, when used for circuitry, have remarkable mechanical properties because stretching or twisting of the substrate is mostly accommodated through bending of the film, which minimizes fatigue or fracture. To date, applications in this context have used substrate patterning to create an anisotropic substrate-film adhesion energy, thereby producing a controlled array of delamination “blisters.” However, even in the absence of such patterning, blisters appear spontaneously, with a characteristic size. Here, we perform well-controlled experiments at macroscopic scales to study what sets the dimensions of these blisters in terms of the material properties and explain our results by using a combination of scaling and analytical methods. Besides pointing to a method for determining the interfacial toughness, our analysis suggests a number of design guidelines for the thin films used in flexible electronic applications. Crucially, we show that, to avoid the possibility that delamination may cause fatigue damage, the thin film thickness must be greater than a critical value, which we determine. PMID:19556551

Infrared and Ultraviolet Spectroscopy of Gas-Phase Imidazolium and Pyridinium Ionic Liquids.

NASA Astrophysics Data System (ADS)

Young, Justin W.; Booth, Ryan S.; Annesley, Christopher; Stearns, Jaime A.

2015-06-01

Ionic liquids (ILs) are a highly variable and potentially game-changing class of molecules for a number of Air Force applications such as satellite propulsion, but the complex nature of IL structure and intermolecular interactions makes it difficult to adequately predict structure-property relationships in order to make new IL-based technology a reality. For example, methylation of imidazolium ionic liquids leads to a substantial increase in viscosity but the underlying physical mechanism is not understood. In addition, the role of hydrogen bonding in ILs, and especially its relationship to macroscopic properties, is a matter of ongoing research. Here we describe the gas-phase spectroscopy of a series of imidazolium- and pyridinium-based ILs, using a combination of infrared spectroscopy and density functional theory to establish the intermolecular interactions present in various ILs, to assess how well they are described by theory, and to relate microscopic structure to macroscopic properties.

Molecular engineering of chiral colloidal liquid crystals using DNA origami

NASA Astrophysics Data System (ADS)

Siavashpouri, Mahsa; Wachauf, Christian H.; Zakhary, Mark J.; Praetorius, Florian; Dietz, Hendrik; Dogic, Zvonimir

2017-08-01

Establishing precise control over the shape and the interactions of the microscopic building blocks is essential for design of macroscopic soft materials with novel structural, optical and mechanical properties. Here, we demonstrate robust assembly of DNA origami filaments into cholesteric liquid crystals, one-dimensional supramolecular twisted ribbons and two-dimensional colloidal membranes. The exquisite control afforded by the DNA origami technology establishes a quantitative relationship between the microscopic filament structure and the macroscopic cholesteric pitch. Furthermore, it also enables robust assembly of one-dimensional twisted ribbons, which behave as effective supramolecular polymers whose structure and elastic properties can be precisely tuned by controlling the geometry of the elemental building blocks. Our results demonstrate the potential synergy between DNA origami technology and colloidal science, in which the former allows for rapid and robust synthesis of complex particles, and the latter can be used to assemble such particles into bulk materials.

Molecular engineering of chiral colloidal liquid crystals using DNA origami.

PubMed

Siavashpouri, Mahsa; Wachauf, Christian H; Zakhary, Mark J; Praetorius, Florian; Dietz, Hendrik; Dogic, Zvonimir

2017-08-01

Establishing precise control over the shape and the interactions of the microscopic building blocks is essential for design of macroscopic soft materials with novel structural, optical and mechanical properties. Here, we demonstrate robust assembly of DNA origami filaments into cholesteric liquid crystals, one-dimensional supramolecular twisted ribbons and two-dimensional colloidal membranes. The exquisite control afforded by the DNA origami technology establishes a quantitative relationship between the microscopic filament structure and the macroscopic cholesteric pitch. Furthermore, it also enables robust assembly of one-dimensional twisted ribbons, which behave as effective supramolecular polymers whose structure and elastic properties can be precisely tuned by controlling the geometry of the elemental building blocks. Our results demonstrate the potential synergy between DNA origami technology and colloidal science, in which the former allows for rapid and robust synthesis of complex particles, and the latter can be used to assemble such particles into bulk materials.

Adaptation of the chevron-notch beam fracture toughness method to specimens harvested from diesel particulate filters

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

Wereszczak, Andrew; Jadaan, Osama; Modugno, Max

In this paper, the apparent fracture toughness of a porous cordierite ceramic was estimated using a large specimen whose geometry was inspired by the ASTM-C1421-standardized chevron-notch beam. In this paper, using the same combination of experiment and analysis used to develop the standardized chevron-notch test for small, monolithic ceramic bend bars, an apparent fracture toughness of 0.6 and 0.9 MPa√m were estimated for an unaged and aged cordierite diesel particulate filter structure, respectively. Finally, the effectiveness and simplicity of this adapted specimen geometry and test method lends itself to the evaluation of (macroscopic) apparent fracture toughness of an entire porous-ceramic,more » diesel particulate filter structure.« less

Adaptation of the chevron-notch beam fracture toughness method to specimens harvested from diesel particulate filters

DOE PAGES

Wereszczak, Andrew; Jadaan, Osama; Modugno, Max; ...

2017-01-18

In this paper, the apparent fracture toughness of a porous cordierite ceramic was estimated using a large specimen whose geometry was inspired by the ASTM-C1421-standardized chevron-notch beam. In this paper, using the same combination of experiment and analysis used to develop the standardized chevron-notch test for small, monolithic ceramic bend bars, an apparent fracture toughness of 0.6 and 0.9 MPa√m were estimated for an unaged and aged cordierite diesel particulate filter structure, respectively. Finally, the effectiveness and simplicity of this adapted specimen geometry and test method lends itself to the evaluation of (macroscopic) apparent fracture toughness of an entire porous-ceramic,more » diesel particulate filter structure.« less

Retracing the etymology of terms in neuroanatomy.

PubMed

Paluzzi, Alessandro; Fernandez-Miranda, Juan; Torrenti, Matthew; Gardner, Paul

2012-11-01

Researching the origin of the terms that we use to identify neuroanatomical structures is a helpful and fascinating exercise. It can provide neuroscientists with a better insight and understanding of the macroscopic anatomy of the cranium and its contents. It can also help the novice to this discipline to become acquainted with structures whose three dimensional anatomy is often difficult to appreciate. The purpose of this article was to investigate the etymology of some of the terms referring to the macroscopic anatomical structures of the skull and the intracranial cavity. We observed how each name unravels an interesting story, sometimes linked to mythological creatures, other times to the shape of animals or objects and tools of everyday life. We conclude that even without a deep knowledge of the Greek, Latin, or Arabic language, learning who described a particular structure and how they decided to name it, makes the study of neuroanatomy more complete and fulfilling. Copyright © 2012 Wiley Periodicals, Inc.

Investigations of the local environment and macroscopic alignment behavior of novel polymerizeable lyotropic liquid crystals using nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Juang, Elizabeth

In this dissertation, a variety of NMR techniques were used to explore the local environment of novel polymerizeable lyotropic liquid crystals (LLC). The LLC monomers examined in this study self-assemble in the presence of a small amount of water to form uniform, nanometer-scale tubes with aqueous interiors. The phase architecture is retained upon photopolymerization to yield the resulting nanoporous material. By dissolving reactive precursors into the aqueous phase, well- structured nancomposite materials have also been formed. Proposed uses for these novel polymerizeable LLCs are as porous water filtration membranes, as heterogeneous organic catalysts, and as nanocomposite materials for load bearing and optical applications. In order to better exploit these polymerizeable LLCs for materials development, the local environment must be examined. In addition, the macroscopic orientation of these materials remains an important step in their advancement. Various NMR studies were conducted on these novel LLCs. NMR T1 relaxation measurements were conducted to elucidate the local environment and dynamics of the 23Na counterions located inside the aqueous channels. 2H NMR line shape analyses were used to characterize the local structure and dynamics near the hydrophilic headgroup. 29 Si NMR studies were performed on silica nanocomposites formed with these LLC structures. Finally, the macroscopic alignment behavior of these novel LLCs using shear and magnetic fields was examined.

Dynamic Behavior of Engineered Lattice Materials

PubMed Central

Hawreliak, J. A.; Lind, J.; Maddox, B.; Barham, M.; Messner, M.; Barton, N.; Jensen, B. J.; Kumar, M.

2016-01-01

Additive manufacturing (AM) is enabling the fabrication of materials with engineered lattice structures at the micron scale. These mesoscopic structures fall between the length scale associated with the organization of atoms and the scale at which macroscopic structures are constructed. Dynamic compression experiments were performed to study the emergence of behavior owing to the lattice periodicity in AM materials on length scales that approach a single unit cell. For the lattice structures, both bend and stretch dominated, elastic deflection of the structure was observed ahead of the compaction of the lattice, while no elastic deformation was observed to precede the compaction in a stochastic, random structure. The material showed lattice characteristics in the elastic response of the material, while the compaction was consistent with a model for compression of porous media. The experimental observations made on arrays of 4 × 4 × 6 lattice unit cells show excellent agreement with elastic wave velocity calculations for an infinite periodic lattice, as determined by Bloch wave analysis, and finite element simulations. PMID:27321697

Foam Optics and Mechanics

NASA Technical Reports Server (NTRS)

Durian, Douglas J.; Zimmerli, Gregory A.

2002-01-01

The Foam Optics and Mechanics (FOAM) project will exploit the microgravity environment to more accurately measure the rheological and optical characteristics of wet aqueous foams. Using both rheology and laser light scattering diagnostics, the goal is to quantify the unusual elastic character of foams in terms of their underlying microscopic structure and dynamics. Of particular interest is determining how the elastic character vanishes, i.e., how the foam 'melts' into a simple viscous liquid, as a function of both increasing liquid content and increasing shear strain rate. The unusual elastic character of foams will be quantified macroscopically by measurement of the shear stress as a function of shear strain rate and of time following a step strain. Such data will be analyzed in terms of a yield stress, shear moduli, and dynamical time scales. Microscopic information about bubble packing and rearrangement dynamics, from which the macroscopic non-Newtonian properties ultimately arise, will be obtained non-invasively by multiple-light scattering: diffuse transmission spectroscopy (DTS) and diffusing wave spectroscopy (DWS). Quantitative trends with materials parameters, most importantly average bubble size and liquid content, will be sought in order to elucidate the fundamental connection between the microscopic structure and dynamics and the macroscopic rheology.

Complexity theory, time series analysis and Tsallis q-entropy principle part one: theoretical aspects

NASA Astrophysics Data System (ADS)

Pavlos, George P.

2017-12-01

In this study, we present the highlights of complexity theory (Part I) and significant experimental verifications (Part II) and we try to give a synoptic description of complexity theory both at the microscopic and at the macroscopic level of the physical reality. Also, we propose that the self-organization observed macroscopically is a phenomenon that reveals the strong unifying character of the complex dynamics which includes thermodynamical and dynamical characteristics in all levels of the physical reality. From this point of view, macroscopical deterministic and stochastic processes are closely related to the microscopical chaos and self-organization. The scientific work of scientists such as Wilson, Nicolis, Prigogine, Hooft, Nottale, El Naschie, Castro, Tsallis, Chang and others is used for the development of a unified physical comprehension of complex dynamics from the microscopic to the macroscopic level. Finally, we provide a comprehensive description of the novel concepts included in the complexity theory from microscopic to macroscopic level. Some of the modern concepts that can be used for a unified description of complex systems and for the understanding of modern complexity theory, as it is manifested at the macroscopic and the microscopic level, are the fractal geometry and fractal space-time, scale invariance and scale relativity, phase transition and self-organization, path integral amplitudes, renormalization group theory, stochastic and chaotic quantization and E-infinite theory, etc.

Functional connectomics from resting-state fMRI

PubMed Central

Smith, Stephen M; Vidaurre, Diego; Beckmann, Christian F; Glasser, Matthew F; Jenkinson, Mark; Miller, Karla L; Nichols, Thomas E; Robinson, Emma; Salimi-Khorshidi, Gholamreza; Woolrich, Mark W; Barch, Deanna M; Uğurbil, Kamil; Van Essen, David C

2014-01-01

Spontaneous fluctuations in activity in different parts of the brain can be used to study functional brain networks. We review the use of resting-state functional MRI for the purpose of mapping the macroscopic functional connectome. After describing MRI acquisition and image processing methods commonly used to generate data in a form amenable to connectomics network analysis, we discuss different approaches for estimating network structure from that data. Finally, we describe new possibilities resulting from the high-quality rfMRI data being generated by the Human Connectome Project, and highlight some upcoming challenges in functional connectomics. PMID:24238796

Synthesis and morphogenesis of organic polymer materials with hierarchical structures in biominerals.

PubMed

Oaki, Yuya; Kijima, Misako; Imai, Hiroaki

2011-06-08

Synthesis and morphogenesis of polypyrrole (PPy) with hierarchical structures from nanoscopic to macroscopic scales have been achieved by using hierarchically organized architectures of biominerals. We adopted biominerals, such as a sea urchin spine and nacreous layer, having hierarchical architectures based on mesocrystals as model materials used for synthesis of an organic polymer. A sea urchin spine led to the formation of PPy macroscopic sponge structures consisting of nanosheets less than 100 nm in thickness with the mosaic interior of the nanoparticles. The morphologies of the resultant PPy hierarchical architectures can be tuned by the structural modification of the original biomineral with chemical and thermal treatments. In another case, a nacreous layer provided PPy porous nanosheets consisting of the nanoparticles. Conductive pathways were formed in these PPy hierarchical architectures. The nanoscale interspaces in the mesocrystal structures of biominerals are used for introduction and polymerization of the monomers, leading to the formation of hierarchically organized polymer architectures. These results show that functional organic materials with complex and nanoscale morphologies can be synthesized by using hierarchically organized architectures as observed in biominerals.

Investigating the origins of nanostructural variations in differential ethnic hair types using X-ray scattering techniques.

PubMed

Wade, M; Tucker, I; Cunningham, P; Skinner, R; Bell, F; Lyons, T; Patten, K; Gonzalez, L; Wess, T

2013-10-01

Human hair is a major determinant of visual ethnic differentiation. Although hair types are celebrated as part of our ethnic diversity, the approach to hair care has made the assumption that hair types are structurally and chemically similar. Although this is clearly not the case at the macroscopic level, the intervention of many hair treatments is at the nanoscopic and molecular levels. The purpose of the work presented here is to identify the main nanoscopic and molecular hierarchical differences across five different ethnic hair types from hair fibres taken exclusively from the scalp. These are Afro (subdivided into elastic 'rubber' and softer non-elastic 'soft'), Chinese, European and Mullato (mixed race). Small angle X-Ray scattering (SAXS) is a technique capable of resolving nanostructural variations in complex materials. Individual hair fibres from different ethnic hair types were used to investigate structural features found in common and also specific to each type. Simultaneous wide angle X-Ray scattering (WAXS) was used to analyse the submolecular level structure of the fibrous keratin present. The data sets from both techniques were analysed with principal component analysis (PCA) to identify underlying variables. Principal component analysis of both SAXS and WAXS data was shown to discriminate the scattering signal between different hair types. The X-ray scattering results show a common underlying keratin intermediate filament (KIF) structure. However, distinct differences were observed in the preferential orientation and intensity signal from the lipid component of the hair. In addition, differences were observed in the intensity distribution of the very low-angle sample-dependent diffuse scatter surrounding the 'beamstop.' The results indicate that the fibrous keratin scaffold remains consistent between ethnic hair types. The hierarchies made by these may be modulated by variation in the content of keratin-associated proteins (KAPs) and lipids that alter the interfacial structures and lead to macroscopic differences in hair morphology. © 2013 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

Study of Fission Barrier Heights of Uranium Isotopes by the Macroscopic-Microscopic Method

NASA Astrophysics Data System (ADS)

Zhong, Chun-Lai; Fan, Tie-Shuan

2014-09-01

Potential energy surfaces of uranium nuclei in the range of mass numbers 229 through 244 are investigated in the framework of the macroscopic-microscopic model and the heights of static fission barriers are obtained in terms of a double-humped structure. The macroscopic part of the nuclear energy is calculated according to Lublin—Strasbourg-drop (LSD) model. Shell and pairing corrections as the microscopic part are calculated with a folded-Yukawa single-particle potential. The calculation is carried out in a five-dimensional parameter space of the generalized Lawrence shapes. In order to extract saddle points on the potential energy surface, a new algorithm which can effectively find an optimal fission path leading from the ground state to the scission point is developed. The comparison of our results with available experimental data and others' theoretical results confirms the reliability of our calculations.

Rapid Growth of Acetylated Aβ(16-20) into Macroscopic Crystals.

PubMed

Bortolini, Christian; Klausen, Lasse Hyldgaard; Hoffmann, Søren Vrønning; Jones, Nykola C; Saadeh, Daniela; Wang, Zegao; Knowles, Tuomas P J; Dong, Mingdong

2018-05-22

Aberrant assembly of the amyloid-β (Aβ) is responsible for the development of Alzheimer's disease, but can also be exploited to obtain highly functional biomaterials. The short Aβ fragment, KLVFF (Aβ 16-20 ), is crucial for Aβ assembly and considered to be an Aβ aggregation inhibitor. Here, we show that acetylation of KLVFF turns it into an extremely fast self-assembling molecule, reaching macroscopic ( i.e., mm) size in seconds. We show that KLVFF is metastable and that the self-assembly can be directed toward a crystalline or fibrillar phase simply through chemical modification, via acetylation or amidation of the peptide. Amidated KLVFF can form amyloid fibrils; we observed folding events of such fibrils occurring in as little as 60 ms. The ability of single KLVFF molecules to rapidly assemble as highly ordered macroscopic structures makes it a promising candidate for applications as a rapid-forming templating material.

Processor farming in two-level analysis of historical bridge

NASA Astrophysics Data System (ADS)

Krejčí, T.; Kruis, J.; Koudelka, T.; Šejnoha, M.

2017-11-01

This contribution presents a processor farming method in connection with a multi-scale analysis. In this method, each macro-scopic integration point or each finite element is connected with a certain meso-scopic problem represented by an appropriate representative volume element (RVE). The solution of a meso-scale problem provides then effective parameters needed on the macro-scale. Such an analysis is suitable for parallel computing because the meso-scale problems can be distributed among many processors. The application of the processor farming method to a real world masonry structure is illustrated by an analysis of Charles bridge in Prague. The three-dimensional numerical model simulates the coupled heat and moisture transfer of one half of arch No. 3. and it is a part of a complex hygro-thermo-mechanical analysis which has been developed to determine the influence of climatic loading on the current state of the bridge.

Unidirectional self-assembly of soft templated mesoporous carbons by zone annealing

NASA Astrophysics Data System (ADS)

Xue, Jiachen; Singh, Gurpreet; Qiang, Zhe; Karim, Alamgir; Vogt, Bryan D.

2013-08-01

Surfactant or block copolymer-templated mesoporous films have been extensively explored, but achieving mesostructure coherence and unidirectional orientation over macroscopic dimensions has remained quite challenging for these self-assembled systems. Here, we extend the concepts associated with zone refinement of crystalline materials to soft templated mesoporous carbon films based on the cooperative assembly of commercial non-ionic surfactants (block copolymers) and phenolic resin oligomers (resol) to provide macroscopic alignment of both cubic (FDU-16) and hexagonal (FDU-15) mesostructures. The average orientation of these mesophases is determined from rotation grazing incidence small angle X-ray scattering (GISAXS) measurements. For FDU-15 templated by Pluronic P123, the orientation factor for the zone-annealed film is 0.98 based on the average of the second Legendre polynomial, but this orientation deteriorates significantly during carbonization. Notably, a thermal stabilization step following zone annealing preserves the orientation of the mesostructure during carbonization. The orientation factor for an isotropic cubic structure (FDU-16 templated by Pluronic F127) is only 0.48 (based on the 111 reflection with incident angle 0.15°) for the same zone annealing protocol, but this illustrates the versatility of zone annealing to different mesostructures. Unexpectedly, zone annealing of FDU-15 templated by Pluronic F127 leads to stabilization of the mesostructure through carbonization, whereas this structure collapses fully during carbonization even after extended oven annealing; despite no clear macroscopic orientation of the cylindrical mesostructure from zone annealing. Thermal zone annealing provides a simple methodology to produce highly ordered and macroscopically oriented stable mesoporous carbon films, but the efficacy is strongly tied to the mobility of the template during the zone annealing.Surfactant or block copolymer-templated mesoporous films have been extensively explored, but achieving mesostructure coherence and unidirectional orientation over macroscopic dimensions has remained quite challenging for these self-assembled systems. Here, we extend the concepts associated with zone refinement of crystalline materials to soft templated mesoporous carbon films based on the cooperative assembly of commercial non-ionic surfactants (block copolymers) and phenolic resin oligomers (resol) to provide macroscopic alignment of both cubic (FDU-16) and hexagonal (FDU-15) mesostructures. The average orientation of these mesophases is determined from rotation grazing incidence small angle X-ray scattering (GISAXS) measurements. For FDU-15 templated by Pluronic P123, the orientation factor for the zone-annealed film is 0.98 based on the average of the second Legendre polynomial, but this orientation deteriorates significantly during carbonization. Notably, a thermal stabilization step following zone annealing preserves the orientation of the mesostructure during carbonization. The orientation factor for an isotropic cubic structure (FDU-16 templated by Pluronic F127) is only 0.48 (based on the 111 reflection with incident angle 0.15°) for the same zone annealing protocol, but this illustrates the versatility of zone annealing to different mesostructures. Unexpectedly, zone annealing of FDU-15 templated by Pluronic F127 leads to stabilization of the mesostructure through carbonization, whereas this structure collapses fully during carbonization even after extended oven annealing; despite no clear macroscopic orientation of the cylindrical mesostructure from zone annealing. Thermal zone annealing provides a simple methodology to produce highly ordered and macroscopically oriented stable mesoporous carbon films, but the efficacy is strongly tied to the mobility of the template during the zone annealing. Electronic supplementary information (ESI) available: GISAXS profiles for the FDU-15-F127 at φ = 0° and φ = 90° is included along with 2D GISAXS data for all azimuthal data associated with FDU-15-P123 to illustrate the azimuthal dependence on the diffraction patterns. See DOI: 10.1039/c3nr02821f

Modeling ancient Egyptian mummification on fresh human tissue: macroscopic and histological aspects.

PubMed

Papageorgopoulou, Christina; Shved, Natallia; Wanek, Johann; Rühli, Frank J

2015-06-01

Many studies have been concerned with the ancient Egyptian mummification method; nevertheless, little effort has been made to explore it experimentally. The goal of this study is to apply evidence-based diagnostic criteria and state-of-the art methodology in order to improve knowledge on soft tissues preservation and postmortem alterations. Two human lower limbs (LL) from a female donor were (1) "naturally" mummified by dry heat and (2) artificially in natron. At specific time intervals a macroscopic and radiological examination of the LL was performed and skin and muscle samples were taken for histological and biomolecular analysis. Temperature, humidity, pH, and weight of the LL were systematically measured. The mummification by dry heat was stopped after 7 days due to unexpected lack of mummification progress. The mummification in natron was completed successfully after 208 days. The humidity, the external temperature, and the pH were proven with Pearson correlation and principal component analysis as important factors for the mummification process. The steady removal of water from the tissues through the natron has prevented the putrefaction. This is also evident in the absence of bacteria or fungi through the microbiological analysis. The histological analysis revealed very good preservation of the skin and the muscle tissues. In the muscular sample certain degree of structural disintegration can be seen, particularly affecting the epimysium whilst in the skin samples the epidermis, especially the stratum corneum, is mostly affected. The samples show better preservation compared with ancient Egyptian sections and other mummified tissues from historic or forensic context. © 2015 Wiley Periodicals, Inc.

3D Printing of Hierarchical Silk Fibroin Structures.

PubMed

Sommer, Marianne R; Schaffner, Manuel; Carnelli, Davide; Studart, André R

2016-12-21

Like many other natural materials, silk is hierarchically structured from the amino acid level up to the cocoon or spider web macroscopic structures. Despite being used industrially in a number of applications, hierarchically structured silk fibroin objects with a similar degree of architectural control as in natural structures have not been produced yet due to limitations in fabrication processes. In a combined top-down and bottom-up approach, we exploit the freedom in macroscopic design offered by 3D printing and the template-guided assembly of ink building blocks at the meso- and nanolevel to fabricate hierarchical silk porous materials with unprecedented structural control. Pores with tunable sizes in the range 40-350 μm are generated by adding sacrificial organic microparticles as templates to a silk fibroin-based ink. Commercially available wax particles or monodisperse polycaprolactone made by microfluidics can be used as microparticle templates. Since closed pores are generated after template removal, an ultrasonication treatment can optionally be used to achieve open porosity. Such pore templating particles can be further modified with nanoparticles to create a hierarchical template that results in porous structures with a defined nanotopography on the pore walls. The hierarchically porous silk structures obtained with this processing technique can potentially be utilized in various application fields from structural materials to thermal insulation to tissue engineering scaffolds.

Ion adsorption at the rutile-water interface: linking molecular and macroscopic properties.

PubMed

Zhang, Z; Fenter, P; Cheng, L; Sturchio, N C; Bedzyk, M J; Predota, M; Bandura, A; Kubicki, J D; Lvov, S N; Cummings, P T; Chialvo, A A; Ridley, M K; Bénézeth, P; Anovitz, L; Palmer, D A; Machesky, M L; Wesolowski, D J

2004-06-08

A comprehensive picture of the interface between aqueous solutions and the (110) surface of rutile (alpha-TiO2) is being developed by combining molecular-scale and macroscopic approaches, including experimental measurements, quantum calculations, molecular simulations, and Gouy-Chapman-Stern models. In situ X-ray reflectivity and X-ray standing-wave measurements are used to define the atomic arrangement of adsorbed ions, the coordination of interfacial water molecules, and substrate surface termination and structure. Ab initio calculations and molecular dynamics simulations, validated through direct comparison with the X-ray results, are used to predict ion distributions not measured experimentally. Potentiometric titration and ion adsorption results for rutile powders having predominant (110) surface expression provide macroscopic constraints of electrical double layer (EDL) properties (e.g., proton release) which are evaluated by comparison with a three-layer EDL model including surface oxygen proton affinities calculated using ab initio bond lengths and partial charges. These results allow a direct correlation of the three-dimensional, crystallographically controlled arrangements of various species (H2O, Na+, Rb+, Ca2+, Sr2+, Zn2+, Y3+, Nd3+) with macroscopic observables (H+ release, metal uptake, zeta potential) and thermodynamic/electrostatic constraints. All cations are found to be adsorbed as "inner sphere" species bonded directly to surface oxygen atoms, while the specific binding geometries and reaction stoichiometries are dependent on ionic radius. Ternary surface complexes of sorbed cations with electrolyte anions are not observed. Finally, surface oxygen proton affinities computed using the MUSIC model are improved by incorporation of ab initio bond lengths and hydrogen bonding information derived from MD simulations. This multitechnique and multiscale approach demonstrates the compatibility of bond-valence models of surface oxygen proton affinities and Stern-based models of the EDL structure, with the actual molecular interfacial distributions observed experimentally, revealing new insight into EDL properties including specific binding sites and hydration states of sorbed ions, interfacial solvent properties (structure, diffusivity, dielectric constant), surface protonation and hydrolysis, and the effect of solution ionic strength.

The flow of plasma in the solar terrestrial environment

NASA Technical Reports Server (NTRS)

Schunk, Robert W.; Banks, P.; Barakat, A. R.; Crain, D. J.; Demars, H. G.; Lemaire, J.; Ma, T.-Z.; Rasmussen, C. E.; Richards, P.; Sica, R.

1990-01-01

The overall goal of our NASA Theory Program was to study the coupling, time delays, and feedback mechanisms between the various regions of the solar-terrestrial system in a self-consistent, quantitative manner. To accomplish this goal, it will eventually be necessary to have time-dependent macroscopic models of the different regions of the solar-terrestrial system and we are continually working toward this goal. However, with the funding from this NASA program, we concentrated on the near-earth plasma environment, including the ionosphere, the plasmasphere, and the polar wind. In this area, we developed unique global models that allowed us to study the coupling between the different regions. These results are highlighted in the next section. Another important aspect of our NASA Theory Program concerned the effect that localized 'structure' had on the macroscopic flow in the ionosphere, plasmasphere, thermosphere, and polar wind. The localized structure can be created by structured magnetospheric inputs (i.e., structured plasma convection, particle precipitation or Birkland current patterns) or time variations in these input due to storms and substorms. Also, some of the plasma flows that we predicted with our macroscopic models could be unstable, and another one of our goals was to examine the stability of our predicted flows. Because time-dependent, three-dimensional numerical models of the solar-terrestrial environment generally require extensive computer resources, they are usually based on relatively simple mathematical formulations (i.e., simple MHD or hydrodynamic formulations). Therefore, another goal of our NASA Theory Program was to study the conditions under which various mathematical formulations can be applied to specific solar-terrestrial regions. This could involve a detailed comparison of kinetic, semi-kinetic, and hydrodynamic predictions for a given polar wind scenario or it could involve the comparison of a small-scale particle-in-cell (PIC) simulation of a plasma expansion event with a similar macroscopic expansion event. The different mathematical formulations have different strengths and weaknesses and a careful comparison of model predictions for similar geophysical situations provides insight into when the various models can be used with confidence.

The flow of plasma in the solar terrestrial environment

NASA Technical Reports Server (NTRS)

Schunk, Robert W.

1991-01-01

The overall goal of our NASA Theory Program is to study the coupling, time delays, and feedback mechanisms between the various regions of the solar-terrestrial system in a self-consistent, quantitative, manner. To accomplish this goal, it will eventually be necessary to have time-dependent macroscopic models of the different regions of the solar-terrestrial system and we are continually working toward this goal. However, our immediate emphasis is on the near-earth plasma environment, including the ionosphere, the plasmasphere, and the polar wind. In this area, we have developed unique global models that allow us to study the coupling between the different regions. These results are highlighted. Another important aspect of our NASA Theory Program concerns the effect that localized structure has on the macroscopic flow in the ionosphere, plasmasphere, thermosphere and polar wind. The localized structure can be created by structured magnetospheric inputs (i.e., structured plasma convection, particle precipitation or Birkeland current patterns) or time variations in these inputs due to storms and substorms. Also, some of the plasma flows that we predict with our macroscopic models may be unstable. Another one of our goals is to examine the stability of our predicted flows. Because time-dependent three-dimensional numerical models of the solar-terrestrial environment generally require extensive computer resources, they are usually based on relatively simple mathematical formulations (i.e., simple MHD or hydrodynamic formulations). Therefore, another long-range goal of our NASA Theory Program is to study the conditions under which various mathematical formulations can be applied to specific solar-terrestrial regions. This may involve a detailed comparison of kinetic, semikinetic, and hydrodynamic predictions for a given polar wind scenario or it may involve the comparison of a small-scale particle-in-cell (PIC) simulation of a plasma expansion event with a similar macroscopic expansion event. The different mathematical formulations have different strengths and weaknesses and a careful comparison of model predictions for similar geophysical situations will provide insight into when the various models can be used with confidence.

Initial stage corrosion of nanocrystalline copper particles and thin films

NASA Astrophysics Data System (ADS)

Tao, Weimin

1997-12-01

Corrosion behavior is an important issue in nanocrystalline materials research and development. A very fine grain size is expected to have significant effects on the corrosion resistance of these novel materials. However, both the macroscopic corrosion properties and the corresponding structure evolution during corrosion have not been fully studied. Under such circumstances, conducting fundamental research in this area is important and necessary. In this study, high purity nanocrystalline and coarse-grained copper were selected as our sample material, sodium nitrite aqueous solution at room temperature and air at a high temperature were employed as corrosive environments. The weight loss testing and electrochemical methods were used to obtain the macroscopic corrosion properties, whereas the high resolution transmission electron microscope was employed for the structure analysis. The weight loss tests indicate that the corrosion rate of nanocrystalline copper is about 5 times higher than that of coarse-grained copper at the initial stage of corrosion. The electrochemical measurements show that the corrosion potential of the nanocrystalline copper has a 230 mV negative shift in comparison with that of the coarse-grained copper. The nanocrystalline copper also exhibits a significantly higher exchange current density than the coarse-grained copper. High resolution TEM revealed that the surface structure changes at the initial stage of corrosion. It was found that the first copper oxide layer formed on the surface of nanocrystalline copper thin film contains a large density of high angle grain boundaries, whereas that formed on the surface of coarse-grained copper shows highly oriented oxide nuclei and appears to show a strong tendency for forming low angle grain boundaries. A correlation between the macroscopic corrosion properties and the structure characteristics is proposed for the nanocrystalline copper based on the concept of the "apparent" exchange current density associated with mass transport of ions in the oxide layer. A hypothesis is developed that the high corrosion rate of the nanocrystalline copper is closely associated with the structure of the copper oxide layer. Therefore, a high "apparent" exchange current density for the nanocrystalline copper is associated with the high angle grain boundary structure in the initial oxide layer. Additional structure analysis was also carried out: (a) High resolution TEM imaging has provided a cross sectional view of the epitaxial interface between nanocrystalline copper and copper (I) oxide and explicitly discloses the presence of interface defects such as misfit dislocations. Based on this observation, a mechanism was proposed to explain the Cu/Cusb2O interface misfit accommodation. This appears to be the first time this interface has been directly examined. (b) A nanocrystalline analogue to a cross-section of Gwathmey's copper single crystal sphere was revealed by high resolution TEM imaging. A partially oxidized nanocrystalline copper particle is used to examine the variation of the Cu/Cusb2O orientation relationship with respect to changes in surface orientation. A new orientation relationship, Cu (011) //Cusb2O (11), ˜ Cu(011)//Cusb2O(111), was found for the oxidation of nanocrystalline copper.

Pathways toward understanding Macroscopic Quantum Phenomena

NASA Astrophysics Data System (ADS)

Hu, B. L.; Subaşi, Y.

2013-06-01

Macroscopic quantum phenomena refer to quantum features in objects of 'large' sizes, systems with many components or degrees of freedom, organized in some ways where they can be identified as macroscopic objects. This emerging field is ushered in by several categories of definitive experiments in superconductivity, electromechanical systems, Bose-Einstein condensates and others. Yet this new field which is rich in open issues at the foundation of quantum and statistical physics remains little explored theoretically (with the important exception of the work of A J Leggett [1], while touched upon or implied by several groups of authors represented in this conference. Our attitude differs in that we believe in the full validity of quantum mechanics stretching from the testable micro to meso scales, with no need for the introduction of new laws of physics.) This talk summarizes our thoughts in attempting a systematic investigation into some key foundational issues of quantum macroscopic phenomena, with the goal of ultimately revealing or building a viable theoretical framework. Three major themes discussed in three intended essays are the large N expansion [2], the correlation hierarchy [3] and quantum entanglement [4]. We give a sketch of the first two themes and then discuss several key issues in the consideration of macro and quantum, namely, a) recognition that there exist many levels of structure in a composite body and only by judicious choice of an appropriate set of collective variables can one give the best description of the dynamics of a specific level of structure. Capturing the quantum features of a macroscopic object is greatly facilitated by the existence and functioning of these collective variables; b) quantum entanglement, an exclusively quantum feature [5], is known to persist to high temperatures [6] and large scales [7] under certain conditions, and may actually decrease with increased connectivity in a quantum network [8]. We use entanglement as a measure of quantumness here and pick out these somewhat counter-intuitive examples to show that there are blind spots worthy of our attention and issues which we need to analyze closer. Our purpose is to try to remove the stigma that quantum only pertains to micro, in order to make way for deeper probes into the conditions whereby quantum features of macroscopic systems manifest.

Weak Higher-Order Interactions in Macroscopic Functional Networks of the Resting Brain.

PubMed

Huang, Xuhui; Xu, Kaibin; Chu, Congying; Jiang, Tianzi; Yu, Shan

2017-10-25

Interactions among different brain regions are usually examined through functional connectivity (FC) analysis, which is exclusively based on measuring pairwise correlations in activities. However, interactions beyond the pairwise level, that is, higher-order interactions (HOIs), are vital in understanding the behavior of many complex systems. So far, whether HOIs exist among brain regions and how they can affect the brain's activities remains largely elusive. To address these issues, here, we analyzed blood oxygenation level-dependent (BOLD) signals recorded from six typical macroscopic functional networks of the brain in 100 human subjects (46 males and 54 females) during the resting state. Through examining the binarized BOLD signals, we found that HOIs within and across individual networks were both very weak regardless of the network size, topology, degree of spatial proximity, spatial scales, and whether the global signal was regressed. To investigate the potential mechanisms underlying the weak HOIs, we analyzed the dynamics of a network model and also found that HOIs were generally weak within a wide range of key parameters provided that the overall dynamic feature of the model was similar to the empirical data and it was operating close to a linear fluctuation regime. Our results suggest that weak HOI may be a general property of brain's macroscopic functional networks, which implies the dominance of pairwise interactions in shaping brain activities at such a scale and warrants the validity of widely used pairwise-based FC approaches. SIGNIFICANCE STATEMENT To explain how activities of different brain areas are coordinated through interactions is essential to revealing the mechanisms underlying various brain functions. Traditionally, such an interaction structure is commonly studied using pairwise-based functional network analyses. It is unclear whether the interactions beyond the pairwise level (higher-order interactions or HOIs) play any role in this process. Here, we show that HOIs are generally weak in macroscopic brain networks. We also suggest a possible dynamical mechanism that may underlie this phenomenon. These results provide plausible explanation for the effectiveness of widely used pairwise-based approaches in analyzing brain networks. More importantly, it reveals a previously unknown, simple organization of the brain's macroscopic functional systems. Copyright © 2017 the authors 0270-6474/17/3710481-17$15.00/0.

Micro-finite-element method to assess elastic properties of trabecular bone at micro- and macroscopic level.

PubMed

Rieger, R; Auregan, J C; Hoc, T

2018-03-01

The objective of the present study is to assess the mechanical behavior of trabecular bone based on microCT imaging and micro-finite-element analysis. In this way two methods are detailed: (i) direct determination of macroscopic elastic property of trabecular bone; (ii) inverse approach to assess mechanical properties of trabecular bone tissue. Thirty-five females and seven males (forty-two subjects) mean aged (±SD) 80±11.7 years from hospitals of Assistance publique-Hôpitaux de Paris (AP-HP) diagnosed with osteoporosis following a femoral neck fracture due to a fall from standing were included in this study. Fractured heads were collected during hip replacement surgery. Standardized bone cores were removed from the femoral head's equator by a trephine in a water bath. MicroCT images acquisition and analysis were performed with CTan ® software and bone volume fraction was then determined. Micro-finite-element simulations were per-formed using Abaqus 6.9-2 ® software in order to determine the macroscopic mechanical behaviour of the trabecular bone. After microCT acquisition, a longitudinal compression test was performed and the experimental macroscopic Young's Modulus was extracted. An inverse approach based on the whole trabecular bone's mechanical response and micro-finite-element analysis was performed to determine microscopic mechanical properties of trabecular bone. In the present study, elasticity of the tissue was shown to be similar to that of healthy tissue but with a lower yield stress. Classical histomorphometric analysis form microCT imaging associated with an inverse micro-finite-element method allowed to assess microscopic mechanical trabecular bone parameters. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Routine histological analysis of a macroscopically normal gallbladder--a review of the literature.

PubMed

Jamal, K; Ratansingham, K; Siddique, M; Nehra, D

2014-01-01

70,000 cholecystectomies were performed in the United Kingdom in 2011-2012. Currently it is standard practice to submit all gallbladder specimens for routine histology to exclude malignancy. The aim of this systematic review was to establish whether a normal macroscopic appearance to the gallbladder at the time of cholecystectomy is sufficient to rule out malignancy and therefore negate the need for routine histology. Relevant articles that were published between 1966 and January 2013 were identified through electronic databases. 21 studies reported on 34,499 histologically analysed specimens. 172/187 (92%) of gallbladder cancers demonstrated intra-operative macroscopic abnormality. Studies that opened the specimens intra-operatively identified all cancers, whereas gross macroscopic visualization resulted in 15 potentially missed cancers (p = 0.10). In patients of European ethnicity, gallbladder cancer in a macroscopically normal looking gallbladder was identified in only one study; however all of these patients were above the age of 60. The incidence of gallbladder cancer was significantly raised in ethnic groups from high risk areas (p = 0.0001). A macroscopically normal gallbladder in patients of European ethnicity under the age of 60 may not require formal histopathology. The best method for intra-operative examination may involve opening the specimen to allow inspection of the mucosa and wall, however this needs further investigation. In the context of the volume of gallbladder surgery being performed there is the potential for significant cost and time savings. Copyright © 2014 Surgical Associates Ltd. All rights reserved.

Well-Differentiated Papillary Mesothelioma of the Tunica Vaginalis: A Case Study and Review of the Literature

PubMed Central

Acikalin, Arbil; Zeren, Handan; Gonlusen, Gulfılız; Zorludemir, Suzan; Izol, Volkan

2014-01-01

Well-differentiated papillary mesothelioma is an uncommon tumor of the testes that usually presents as a hydrocele. Here, we present the case of one patient who did not have a history of asbestos exposure. The tumor was localized in the tunica vaginalis and was composed of three pedunculated masses macroscopically. Microscopically, branching papillary structures with focal coagulative necrosis were present. In addition to immunohistochemistry, simian virus 40 DNA was also tested by polymerase chain reaction. This report presents one case of this rare entity, its clinical and macroscopic features, and follow-up results. PMID:25013421

Improve FREQ macroscopic freeway analysis model

DOT National Transportation Integrated Search

2008-07-01

The primary objectives of this project have been to provide technical assistance on district freeway analysis projects, enhance the FREQ model based on guidance and suggestions from Caltrans staff members, and offer three freeway analysis workshops f...

Undecalcified temporal bone morphology: a methodology useful for gross to fine observation and three-dimensional reconstruction.

PubMed

Fujiyoshi, T; Mogi, G; Watanabe, T; Matsushita, F

1992-01-01

Using a novel method of cutting undecalcified temporal bone specimens, quantitative structural analysis in the human and the Japanese monkey was undertaken. One millimeter thick serial slices made from unembedded temporal bones retained fine structure. Therefore, gross to fine observation could be performed systematically at the macroscopic, light, scanning, and transmission electron microscopic levels. The entire temporal bone three-dimensional reconstruction was completed from embedded sections; consequently, the volume of the tubotympanum and air cell system could be calculated. Available methods by embedding, tungsten carbide sectioning, grinding, and microwave irradiation for decalcification were also examined. These morphologic studies suggest that these novel methods offer timesaving advantages over any presently available techniques, and allow for elucidation of temporal bone morphology with only a few specimens.

Tensor of effective susceptibility in random magnetic composites: Application to two-dimensional and three-dimensional cases

NASA Astrophysics Data System (ADS)

Posnansky, Oleg P.

2018-05-01

The measuring of dynamic magnetic susceptibility by nuclear magnetic resonance is used for revealing information about the internal structure of various magnetoactive composites. The response of such material on the applied external static and time-varying magnetic fields encodes intrinsic dynamic correlations and depends on links between macroscopic effective susceptibility and structure on the microscopic scale. In the current work we carried out computational analysis of the frequency dependent dynamic magnetic susceptibility and demonstrated its dependence on the microscopic architectural elements while also considering Euclidean dimensionality. The proposed numerical method is efficient in the simulation of nuclear magnetic resonance experiments in two- and three-dimensional random magnetic media by choosing and modeling the influence of the concentration of components and internal hierarchical characteristics of physical parameters.

Tuning and Freezing Disorder in Photonic Crystals using Percolation Lithography.

PubMed

Burgess, Ian B; Abedzadeh, Navid; Kay, Theresa M; Shneidman, Anna V; Cranshaw, Derek J; Lončar, Marko; Aizenberg, Joanna

2016-01-21

Although common in biological systems, synthetic self-assembly routes to complex 3D photonic structures with tailored degrees of disorder remain elusive. Here we show how liquids can be used to finely control disorder in porous 3D photonic crystals, leading to complex and hierarchical geometries. In these optofluidic crystals, dynamically tunable disorder is superimposed onto the periodic optical structure through partial wetting or evaporation. In both cases, macroscopic symmetry breaking is driven by subtle sub-wavelength variations in the pore geometry. These variations direct site-selective infiltration of liquids through capillary interactions. Incorporating cross-linkable resins into our liquids, we developed methods to freeze in place the filling patterns at arbitrary degrees of partial wetting and intermediate stages of drying. These percolation lithography techniques produced permanent photonic structures with adjustable disorder. By coupling strong changes in optical properties to subtle differences in fluid behavior, optofluidic crystals may also prove useful in rapid analysis of liquids.

Nanocrystallography measurements of early stage synthetic malaria pigment

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

Dilanian, Ruben A.; Streltsov, Victor; Coughlan, Hannah D.

The recent availability of extremely intense, femtosecond X-ray free-electron laser (XFEL) sources has spurred the development of serial femtosecond nanocrystallography (SFX). Here, SFX is used to analyze nanoscale crystals of β-hematin, the synthetic form of hemozoin which is a waste by-product of the malaria parasite. This analysis reveals significant differences in β-hematin data collected during SFX and synchrotron crystallography experiments. To interpret these differences two possibilities are considered: structural differences between the nanocrystal and larger crystalline forms of β-hematin, and radiation damage. Simulation studies show that structural inhomogeneity appears at present to provide a better fit to the experimental data.more » If confirmed, these observations will have implications for designing compounds that inhibit hemozoin formation and suggest that, for some systems at least, additional information may be gained by comparing structures obtained from nanocrystals and macroscopic crystals of the same molecule.« less

Dynamics and Emergent Structures in Active Fluids

NASA Astrophysics Data System (ADS)

Baskaran, Aparna

2014-03-01

In this talk, we consider an active fluid of colloidal sized particles, with the primary manifestation of activity being a self-replenishing velocity along one body axis of the particle. This is a minimal model for varied systems such as bacterial colonies, cytoskeletal filament motility assays vibrated granular particles and self propelled diffusophoretic colloids, depending on the nature of interaction among the particles. Using microscopic Brownian dynamics simulations, coarse-graining using the tools of non-equilibrium statistical mechanics and analysis of macroscopic hydrodynamic theories, we characterize emergent structures seen in these systems, which are determined by the symmetry of the interactions among the active units, such as propagating density waves, dense stationary bands, asters and phase separated isotropic clusters. We identify a universal mechanism, termed ``self-regulation,'' as the underlying physics that leads to these structures in diverse systems. Support from NSF through DMR-1149266 and DMR-0820492.

Physicochemical hair conformation of patients with Sanfilippo disease type IIIA.

PubMed

Charan, R K; Nauer, G; Wagner, U; Klabuschnig, A; Lubec, G

1986-01-01

Sanfilippo disease type IIIA is an inborn error of metabolism with a deficiency in the heparan sulfamidase. Besides severe psychomotor retardation hair changes are obligatory. Hair is found to be coarse like a brush. We applied X-ray diffraction and infrared spectroscopy to characterize the conformation of hair samples of Sanfilippo patients. In healthy subjects as well as in the affected hair samples we found the wave numbers of structural relevance 1450, 1500, 1630, 1730, the pair 2337 and 2362, the quadruplet 2850, 2870, 2917, 2930 and 3080 cm-1. Also on X-ray diffraction analysis no differences could be detected. Though morphological-macroscopically and microscopically-changes were described for Sanfilippo hair samples, we could not find any change in supramolecular structure. The physical properties of coarseness of those hair specimen seems to be due to differences in the structural assembly of hair fibres and storage of heparan sulfate.

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

Dilanian, Ruben A.; Streltsov, Victor; Coughlan, Hannah D.

The recent availability of extremely intense, femtosecond X-ray free-electron laser (XFEL) sources has spurred the development of serial femtosecond nanocrystallography (SFX). Here, SFX is used to analyze nanoscale crystals of β-hematin, the synthetic form of hemozoin which is a waste by-product of the malaria parasite. This analysis reveals significant differences in β-hematin data collected during SFX and synchrotron crystallography experiments. To interpret these differences two possibilities are considered: structural differences between the nanocrystal and larger crystalline forms of β-hematin, and radiation damage. Simulation studies show that structural inhomogeneity appears at present to provide a better fit to the experimental data.more » If confirmed, these observations will have implications for designing compounds that inhibit hemozoin formation and suggest that, for some systems at least, additional information may be gained by comparing structures obtained from nanocrystals and macroscopic crystals of the same molecule.« less

Nanocrystallography measurements of early stage synthetic malaria pigment

DOE PAGES

Dilanian, Ruben A.; Streltsov, Victor; Coughlan, Hannah D.; ...

2017-09-28

The recent availability of extremely intense, femtosecond X-ray free-electron laser (XFEL) sources has spurred the development of serial femtosecond nanocrystallography (SFX). Here, SFX is used to analyze nanoscale crystals of β-hematin, the synthetic form of hemozoin which is a waste by-product of the malaria parasite. This analysis reveals significant differences in β-hematin data collected during SFX and synchrotron crystallography experiments. To interpret these differences two possibilities are considered: structural differences between the nanocrystal and larger crystalline forms of β-hematin, and radiation damage. Simulation studies show that structural inhomogeneity appears at present to provide a better fit to the experimental data.more » If confirmed, these observations will have implications for designing compounds that inhibit hemozoin formation and suggest that, for some systems at least, additional information may be gained by comparing structures obtained from nanocrystals and macroscopic crystals of the same molecule.« less

Bone morphology of the hind limbs in two caviomorph rodents.

PubMed

de Araújo, F A P; Sesoko, N F; Rahal, S C; Teixeira, C R; Müller, T R; Machado, M R F

2013-04-01

In order to evaluate the hind limbs of caviomorph rodents a descriptive analysis of the Cuniculus paca (Linnaeus, 1766) and Hydrochoerus hydrochaeris (Linnaeus, 1766) was performed using anatomical specimens, radiography, computed tomography (CT) and full-coloured prototype models to generate bone anatomy data. The appendicular skeleton of the two largest rodents of Neotropical America was compared with the previously reported anatomical features of Rattus norvegicus (Berkenhout, 1769) and domestic Cavia porcellus (Linnaeus, 1758). The structures were analyzed macroscopically and particular findings of each species reported. Features including the presence of articular fibular projection and lunulae were observed in the stifle joint of all rodents. Imaging aided in anatomical description and, specifically in the identification of bone structures in Cuniculus paca and Hydrochoerus hydrochaeris. The imaging findings were correlated with the anatomical structures observed. The data may be used in future studies comparing these animals to other rodents and mammalian species. © 2012 Blackwell Verlag GmbH.

Osmylation of C[sub 60]: Proof and characterization of the soccer-ball framework

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

Hawkins, J.M.

1992-03-01

When C[sub 60] was isolated in macroscopic quantities in 1990, it transcended the realm of gas-phase physical chemistry and availed itself to the characterization and utilizations of condensed matter. On one hand, it became a new material, a new allotrope of carbon. On the other hand, it became a new organic compound, one that did not contain elements other than carbon, and one that could serve as the parent and precursors to a whole class of novel organic compounds. When first available in macroscopic quantities, C[sub 60] was probed spectroscopically in a number of laboratories. The authors probed the structuremore » of C[sub 60] chemically and found that the characterization of pure derivatives of C[sub 60] could yield information about C[sub 60] which could not be obtained directly. They prepared the first pure fullerene derivative, C[sub 60](OsO[sub 4])(4-tert-butylpyridine)[sub 2]. The characterization of this species yielded the first time atomic-resolution X-ray crystallographic analysis of the carbon framework of C[sub 60], thereby providing the first definitive proof of the buckminsterfullerene structure. Further analysis of 1 yielded the first measurement of coupling constants and hybridizations corresponding to that two types of bonds in C[sub 60] and the first quantitative labeling study probing the mechanism of C[sub 60] formation. 34 refs., 9 figs., 2 tabs.« less

The Strategic Environment Assessment bibliographic network: A quantitative literature review analysis

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

Caschili, Simone, E-mail: s.caschili@ucl.ac.uk; De Montis, Andrea; Ganciu, Amedeo

2014-07-01

Academic literature has been continuously growing at such a pace that it can be difficult to follow the progression of scientific achievements; hence, the need to dispose of quantitative knowledge support systems to analyze the literature of a subject. In this article we utilize network analysis tools to build a literature review of scientific documents published in the multidisciplinary field of Strategic Environment Assessment (SEA). The proposed approach helps researchers to build unbiased and comprehensive literature reviews. We collect information on 7662 SEA publications and build the SEA Bibliographic Network (SEABN) employing the basic idea that two publications are interconnectedmore » if one cites the other. We apply network analysis at macroscopic (network architecture), mesoscopic (sub graph) and microscopic levels (node) in order to i) verify what network structure characterizes the SEA literature, ii) identify the authors, disciplines and journals that are contributing to the international discussion on SEA, and iii) scrutinize the most cited and important publications in the field. Results show that the SEA is a multidisciplinary subject; the SEABN belongs to the class of real small world networks with a dominance of publications in Environmental studies over a total of 12 scientific sectors. Christopher Wood, Olivia Bina, Matthew Cashmore, and Andrew Jordan are found to be the leading authors while Environmental Impact Assessment Review is by far the scientific journal with the highest number of publications in SEA studies. - Highlights: • We utilize network analysis to analyze scientific documents in the SEA field. • We build the SEA Bibliographic Network (SEABN) of 7662 publications. • We apply network analysis at macroscopic, mesoscopic and microscopic network levels. • We identify SEABN architecture, relevant publications, authors, subjects and journals.« less

Vortex Filaments in Grids for Scalable, Fine Smoke Simulation.

PubMed

Meng, Zhang; Weixin, Si; Yinling, Qian; Hanqiu, Sun; Jing, Qin; Heng, Pheng-Ann

2015-01-01

Vortex modeling can produce attractive visual effects of dynamic fluids, which are widely applicable for dynamic media, computer games, special effects, and virtual reality systems. However, it is challenging to effectively simulate intensive and fine detailed fluids such as smoke with fast increasing vortex filaments and smoke particles. The authors propose a novel vortex filaments in grids scheme in which the uniform grids dynamically bridge the vortex filaments and smoke particles for scalable, fine smoke simulation with macroscopic vortex structures. Using the vortex model, their approach supports the trade-off between simulation speed and scale of details. After computing the whole velocity, external control can be easily exerted on the embedded grid to guide the vortex-based smoke motion. The experimental results demonstrate the efficiency of using the proposed scheme for a visually plausible smoke simulation with macroscopic vortex structures.

Obtaining macroscopic quantities for the contact line problem from Density Functional Theory using asymptotic methods

NASA Astrophysics Data System (ADS)

Sibley, David; Nold, Andreas; Kalliadasis, Serafim

2015-11-01

Density Functional Theory (DFT), a statistical mechanics of fluids approach, captures microscopic details of the fluid density structure in the vicinity of contact lines, as seen in computations in our recent study. Contact lines describe the location where interfaces between two fluids meet solid substrates, and have stimulated a wealth of research due to both their ubiquity in nature and technological applications and also due to their rich multiscale behaviour. Whilst progress can be made computationally to capture the microscopic to mesoscopic structure from DFT, complete analytical results to fully bridge to the macroscale are lacking. In this work, we describe our efforts to bring asymptotic methods to DFT to obtain results for contact angles and other macroscopic quantities in various parameter regimes. We acknowledge financial support from European Research Council via Advanced Grant No. 247031.

State-space based analysis and forecasting of macroscopic road safety trends in Greece.

PubMed

Antoniou, Constantinos; Yannis, George

2013-11-01

In this paper, macroscopic road safety trends in Greece are analyzed using state-space models and data for 52 years (1960-2011). Seemingly unrelated time series equations (SUTSE) models are developed first, followed by richer latent risk time-series (LRT) models. As reliable estimates of vehicle-kilometers are not available for Greece, the number of vehicles in circulation is used as a proxy to the exposure. Alternative considered models are presented and discussed, including diagnostics for the assessment of their model quality and recommendations for further enrichment of this model. Important interventions were incorporated in the models developed (1986 financial crisis, 1991 old-car exchange scheme, 1996 new road fatality definition) and found statistically significant. Furthermore, the forecasting results using data up to 2008 were compared with final actual data (2009-2011) indicating that the models perform properly, even in unusual situations, like the current strong financial crisis in Greece. Forecasting results up to 2020 are also presented and compared with the forecasts of a model that explicitly considers the currently on-going recession. Modeling the recession, and assuming that it will end by 2013, results in more reasonable estimates of risk and vehicle-kilometers for the 2020 horizon. This research demonstrates the benefits of using advanced state-space modeling techniques for modeling macroscopic road safety trends, such as allowing the explicit modeling of interventions. The challenges associated with the application of such state-of-the-art models for macroscopic phenomena, such as traffic fatalities in a region or country, are also highlighted. Furthermore, it is demonstrated that it is possible to apply such complex models using the relatively short time-series that are available in macroscopic road safety analysis. Copyright © 2013 Elsevier Ltd. All rights reserved.

Macroscopic modeling for heat and water vapor transfer in dry snow by homogenization.

PubMed

Calonne, Neige; Geindreau, Christian; Flin, Frédéric

2014-11-26

Dry snow metamorphism, involved in several topics related to cryospheric sciences, is mainly linked to heat and water vapor transfers through snow including sublimation and deposition at the ice-pore interface. In this paper, the macroscopic equivalent modeling of heat and water vapor transfers through a snow layer was derived from the physics at the pore scale using the homogenization of multiple scale expansions. The microscopic phenomena under consideration are heat conduction, vapor diffusion, sublimation, and deposition. The obtained macroscopic equivalent model is described by two coupled transient diffusion equations including a source term arising from phase change at the pore scale. By dimensional analysis, it was shown that the influence of such source terms on the overall transfers can generally not be neglected, except typically under small temperature gradients. The precision and the robustness of the proposed macroscopic modeling were illustrated through 2D numerical simulations. Finally, the effective vapor diffusion tensor arising in the macroscopic modeling was computed on 3D images of snow. The self-consistent formula offers a good estimate of the effective diffusion coefficient with respect to the snow density, within an average relative error of 10%. Our results confirm recent work that the effective vapor diffusion is not enhanced in snow.

Development and Assessment of a Molecular Structure and Properties Learning Progression

ERIC Educational Resources Information Center

Cooper, Melanie M.; Underwood, Sonia M.; Hilley, Caleb Z.; Klymkowsky, Michael W.

2012-01-01

Previously, we found that: (i) many students were unable to construct representations of simple molecular structures; (ii) a majority of students fail to make the important connection between these representations and macroscopic properties of the material; and (iii) they were unable to decode the information contained in such representations.…

“Skin-Core-Skin” Structure of Polymer Crystallization Investigated by Multiscale Simulation

PubMed Central

Ruan, Chunlei

2018-01-01

“Skin-core-skin” structure is a typical crystal morphology in injection products. Previous numerical works have rarely focused on crystal evolution; rather, they have mostly been based on the prediction of temperature distribution or crystallization kinetics. The aim of this work was to achieve the “skin-core-skin” structure and investigate the role of external flow and temperature fields on crystal morphology. Therefore, the multiscale algorithm was extended to the simulation of polymer crystallization in a pipe flow. The multiscale algorithm contains two parts: a collocated finite volume method at the macroscopic level and a morphological Monte Carlo method at the microscopic level. The SIMPLE (semi-implicit method for pressure linked equations) algorithm was used to calculate the polymeric model at the macroscopic level, while the Monte Carlo method with stochastic birth-growth process of spherulites and shish-kebabs was used at the microscopic level. Results show that our algorithm is valid to predict “skin-core-skin” structure, and the initial melt temperature and the maximum velocity of melt at the inlet mainly affects the morphology of shish-kebabs. PMID:29659516

Synchronization invariance under network structural transformations

NASA Astrophysics Data System (ADS)

Arola-Fernández, Lluís; Díaz-Guilera, Albert; Arenas, Alex

2018-06-01

Synchronization processes are ubiquitous despite the many connectivity patterns that complex systems can show. Usually, the emergence of synchrony is a macroscopic observable; however, the microscopic details of the system, as, e.g., the underlying network of interactions, is many times partially or totally unknown. We already know that different interaction structures can give rise to a common functionality, understood as a common macroscopic observable. Building upon this fact, here we propose network transformations that keep the collective behavior of a large system of Kuramoto oscillators invariant. We derive a method based on information theory principles, that allows us to adjust the weights of the structural interactions to map random homogeneous in-degree networks into random heterogeneous networks and vice versa, keeping synchronization values invariant. The results of the proposed transformations reveal an interesting principle; heterogeneous networks can be mapped to homogeneous ones with local information, but the reverse process needs to exploit higher-order information. The formalism provides analytical insight to tackle real complex scenarios when dealing with uncertainty in the measurements of the underlying connectivity structure.

Cooperation dynamics of generalized reciprocity in state-based social dilemmas

NASA Astrophysics Data System (ADS)

Stojkoski, Viktor; Utkovski, Zoran; Basnarkov, Lasko; Kocarev, Ljupco

2018-05-01

We introduce a framework for studying social dilemmas in networked societies where individuals follow a simple state-based behavioral mechanism based on generalized reciprocity, which is rooted in the principle "help anyone if helped by someone." Within this general framework, which applies to a wide range of social dilemmas including, among others, public goods, donation, and snowdrift games, we study the cooperation dynamics on a variety of complex network examples. By interpreting the studied model through the lenses of nonlinear dynamical systems, we show that cooperation through generalized reciprocity always emerges as the unique attractor in which the overall level of cooperation is maximized, while simultaneously exploitation of the participating individuals is prevented. The analysis elucidates the role of the network structure, here captured by a local centrality measure which uniquely quantifies the propensity of the network structure to cooperation by dictating the degree of cooperation displayed both at the microscopic and macroscopic level. We demonstrate the applicability of the analysis on a practical example by considering an interaction structure that couples a donation process with a public goods game.

Community structure of free-floating filamentous cyanobacterial mats from the Wonder Lake geothermal springs in the Philippines.

PubMed

Lacap, Donnabella C; Smith, Gavin J D; Warren-Rhodes, Kimberley; Pointing, Stephen B

2005-07-01

Cyanobacterial mats were characterized from pools of 45-60 degrees C in near-neutral pH, low-sulphide geothermal springs in the Philippines. Mat structure did not vary with temperature. All mats possessed highly ordered layers of airspaces at both the macroscopic and microscopic level, and these appear to be an adaptation to a free-floating growth habit. Upper mat layers supported biomass with elevated carotenoid:chlorophyll a ratios and an as yet uncharacterized waxy layer on the dorsal surface. Microscopic examination revealed mats comprised a single Fischerella morphotype, with abundant heterocysts throughout mats at all temperatures. Molecular analysis of mat community structure only partly matched morphological identification. All samples supported greater 16S rDNA-defined diversity than morphology suggested, with a progressive loss in the number of genotypes with increasing temperature. Fischerella-like sequences were recovered from mats occurring at all temperatures, but some mats also yielded Oscillatoria-like sequences, although corresponding phenotypes were not observed. Phylogenetic analysis revealed that Fischerella-like sequences were most closely affiliated with Fischerella major and the Oscillatoria-like sequences with Oscillatoria amphigranulata.

HOTCFGM-1D: A Coupled Higher-Order Theory for Cylindrical Structural Components with Through-Thickness Functionally Graded Microstructures

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Aboudi, Jacob

1998-01-01

The objective of this three-year project was to develop and deliver to NASA Lewis one-dimensional and two-dimensional higher-order theories, and related computer codes, for the analysis, optimization and design of cylindrical functionally graded materials/structural components for use in advanced aircraft engines (e.g., combustor linings, rotor disks, heat shields, blisk blades). To satisfy this objective, a quasi one-dimensional version of the higher-order theory, HOTCFGM-1D, and four computer codes based on this theory, for the analysis, design and optimization of cylindrical structural components functionally graded in the radial direction were developed. The theory is applicable to thin multi-phased composite shell/cylinders subjected to macroscopically axisymmetric thermomechanical and inertial loading applied uniformly along the axial direction such that the overall deformation is characterized by a constant average axial strain. The reinforcement phases are uniformly distributed in the axial and circumferential directions, and arbitrarily distributed in the radial direction, thereby allowing functional grading of the internal reinforcement in this direction.

Novel Micropatterned Cardiac Cell Cultures with Realistic Ventricular Microstructure

PubMed Central

Badie, Nima; Bursac, Nenad

2009-01-01

Systematic studies of cardiac structure-function relationships to date have been hindered by the intrinsic complexity and variability of in vivo and ex vivo model systems. Thus, we set out to develop a reproducible cell culture system that can accurately replicate the realistic microstructure of native cardiac tissues. Using cell micropatterning techniques, we aligned cultured cardiomyocytes at micro- and macroscopic spatial scales to follow local directions of cardiac fibers in murine ventricular cross sections, as measured by high-resolution diffusion tensor magnetic resonance imaging. To elucidate the roles of ventricular tissue microstructure in macroscopic impulse conduction, we optically mapped membrane potentials in micropatterned cardiac cultures with realistic tissue boundaries and natural cell orientation, cardiac cultures with realistic tissue boundaries but random cell orientation, and standard isotropic monolayers. At 2 Hz pacing, both microscopic changes in cell orientation and ventricular tissue boundaries independently and synergistically increased the spatial dispersion of conduction velocity, but not the action potential duration. The realistic variations in intramural microstructure created unique spatial signatures in micro- and macroscopic impulse propagation within ventricular cross-section cultures. This novel in vitro model system is expected to help bridge the existing gap between experimental structure-function studies in standard cardiac monolayers and intact heart tissues. PMID:19413993

Skin hydration: interplay between molecular dynamics, structure and water uptake in the stratum corneum.

PubMed

Mojumdar, Enamul Haque; Pham, Quoc Dat; Topgaard, Daniel; Sparr, Emma

2017-11-16

Hydration is a key aspect of the skin that influences its physical and mechanical properties. Here, we investigate the interplay between molecular and macroscopic properties of the outer skin layer - the stratum corneum (SC) and how this varies with hydration. It is shown that hydration leads to changes in the molecular arrangement of the peptides in the keratin filaments as well as dynamics of C-H bond reorientation of amino acids in the protruding terminals of keratin protein within the SC. The changes in molecular structure and dynamics occur at a threshold hydration corresponding to ca. 85% relative humidity (RH). The abrupt changes in SC molecular properties coincide with changes in SC macroscopic swelling properties as well as mechanical properties in the SC. The flexible terminals at the solid keratin filaments can be compared to flexible polymer brushes in colloidal systems, creating long-range repulsion and extensive swelling in water. We further show that the addition of urea to the SC at reduced RH leads to similar molecular and macroscopic responses as the increase in RH for SC without urea. The findings provide new molecular insights to deepen the understanding of how intermediate filament organization responds to changes in the surrounding environment.

A Jones matrix formalism for simulating three-dimensional polarized light imaging of brain tissue.

PubMed

Menzel, M; Michielsen, K; De Raedt, H; Reckfort, J; Amunts, K; Axer, M

2015-10-06

The neuroimaging technique three-dimensional polarized light imaging (3D-PLI) provides a high-resolution reconstruction of nerve fibres in human post-mortem brains. The orientations of the fibres are derived from birefringence measurements of histological brain sections assuming that the nerve fibres—consisting of an axon and a surrounding myelin sheath—are uniaxial birefringent and that the measured optic axis is oriented in the direction of the nerve fibres (macroscopic model). Although experimental studies support this assumption, the molecular structure of the myelin sheath suggests that the birefringence of a nerve fibre can be described more precisely by multiple optic axes oriented radially around the fibre axis (microscopic model). In this paper, we compare the use of the macroscopic and the microscopic model for simulating 3D-PLI by means of the Jones matrix formalism. The simulations show that the macroscopic model ensures a reliable estimation of the fibre orientations as long as the polarimeter does not resolve structures smaller than the diameter of single fibres. In the case of fibre bundles, polarimeters with even higher resolutions can be used without losing reliability. When taking the myelin density into account, the derived fibre orientations are considerably improved. © 2015 The Author(s).

Phases and interfaces from real space atomically resolved data: Physics-based deep data image analysis

DOE PAGES

Vasudevan, Rama K.; Ziatdinov, Maxim; Jesse, Stephen; ...

2016-08-12

Advances in electron and scanning probe microscopies have led to a wealth of atomically resolved structural and electronic data, often with ~1–10 pm precision. However, knowledge generation from such data requires the development of a physics-based robust framework to link the observed structures to macroscopic chemical and physical descriptors, including single phase regions, order parameter fields, interfaces, and structural and topological defects. Here, we develop an approach based on a synergy of sliding window Fourier transform to capture the local analog of traditional structure factors combined with blind linear unmixing of the resultant 4D data set. This deep data analysismore » is ideally matched to the underlying physics of the problem and allows reconstruction of the a priori unknown structure factors of individual components and their spatial localization. We demonstrate the principles of this approach using a synthetic data set and further apply it for extracting chemical and physically relevant information from electron and scanning tunneling microscopy data. Furthermore, this method promises to dramatically speed up crystallographic analysis in atomically resolved data, paving the road toward automatic local structure–property determinations in crystalline and quasi-ordered systems, as well as systems with competing structural and electronic order parameters.« less

Specific effects of Ca2+ ions and molecular structure of β-lactoglobulin interfacial layers that drive macroscopic foam stability† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sm00636a Click here for additional data file.

PubMed Central

Schulze-Zachau, Felix; Nagel, Eva; Engelhardt, Kathrin; Stoyanov, Stefan; Gochev, Georgi; Khristov, Khr.; Mileva, Elena; Exerowa, Dotchi; Miller, Reinhard; Peukert, Wolfgang

2016-01-01

β-Lactoglobulin (BLG) adsorption layers at air–water interfaces were studied in situ with vibrational sum-frequency generation (SFG), tensiometry, surface dilatational rheology and ellipsometry as a function of bulk Ca2+ concentration. The relation between the interfacial molecular structure of adsorbed BLG and the interactions with the supporting electrolyte is additionally addressed on higher length scales along the foam hierarchy – from the ubiquitous air–water interface through thin foam films to macroscopic foam. For concentrations <1 mM, a strong decrease in SFG intensity from O–H stretching bands and a slight increase in layer thickness and surface pressure are observed. A further increase in Ca2+ concentrations above 1 mM causes an apparent change in the polarity of aromatic C–H stretching vibrations from interfacial BLG which we associate to a charge reversal at the interface. Foam film measurements show formation of common black films at Ca2+ concentrations above 1 mM due to considerable decrease of the stabilizing electrostatic disjoining pressure. These observations also correlate with a minimum in macroscopic foam stability. For concentrations >30 mM Ca2+, micrographs of foam films show clear signatures of aggregates which tend to increase the stability of foam films. Here, the interfacial layers have a higher surface dilatational elasticity. In fact, macroscopic foams formed from BLG dilutions with high Ca2+ concentrations where aggregates and interfacial layers with higher elasticity are found, showed the highest stability with much smaller bubble sizes. PMID:27337699

Correlation between hierarchical structure of crystal networks and macroscopic performance of mesoscopic soft materials and engineering principles.

PubMed

Lin, Naibo; Liu, Xiang Yang

2015-11-07

This review examines how the concepts and ideas of crystallization can be extended further and applied to the field of mesoscopic soft materials. It concerns the structural characteristics vs. the macroscopic performance, and the formation mechanism of crystal networks. Although this subject can be discussed in a broad sense across the area of mesoscopic soft materials, our main focus is on supramolecular materials, spider and silkworm silks, and biominerals. First, the occurrence of a hierarchical structure, i.e. crystal network and domain network structures, will facilitate the formation kinetics of mesoscopic phases and boost up the macroscopic performance of materials in some cases (i.e. spider silk fibres). Second, the structure and performance of materials can be correlated in some way by the four factors: topology, correlation length, symmetry/ordering, and strength of association of crystal networks. Moreover, four different kinetic paths of crystal network formation are identified, namely, one-step process of assembly, two-step process of assembly, mixed mode of assembly and foreign molecule mediated assembly. Based on the basic mechanisms of crystal nucleation and growth, the formation of crystal networks, such as crystallographic mismatch (or noncrystallographic) branching (tip branching and fibre side branching) and fibre/polymeric side merging, are reviewed. This facilitates the rational design and construction of crystal networks in supramolecular materials. In this context, the (re-)construction of a hierarchical crystal network structure can be implemented by thermal, precipitate, chemical, and sonication stimuli. As another important class of soft materials, the unusual mechanical performance of spider and silkworm silk fibres are reviewed in comparison with the regenerated silk protein derivatives. It follows that the considerably larger breaking stress and unusual breaking strain of spider silk fibres vs. silkworm silk fibres can be interpreted according to the synergistically correlated hierarchical structures of the domain and crystal networks, which can be quantified by the hierarchical structural correlation and the four structural parameters. Based on the concept of crystal networks, the new understanding acquired will transfer the research and engineering of mesoscopic materials, particularly, soft functional materials, to a new phase.

Ancient sedimentary structures in the <3.7 Ga Gillespie Lake Member, Mars, that resemble macroscopic morphology, spatial associations, and temporal succession in terrestrial microbialites.

PubMed

Noffke, Nora

2015-02-01

Sandstone beds of the <3.7 Ga Gillespie Lake Member on Mars have been interpreted as evidence of an ancient playa lake environment. On Earth, such environments have been sites of colonization by microbial mats from the early Archean to the present time. Terrestrial microbial mats in playa lake environments form microbialites known as microbially induced sedimentary structures (MISS). On Mars, three lithofacies of the Gillespie Lake Member sandstone display centimeter- to meter-scale structures similar in macroscopic morphology to terrestrial MISS that include "erosional remnants and pockets," "mat chips," "roll-ups," "desiccation cracks," and "gas domes." The microbially induced sedimentary-like structures identified in Curiosity rover mission images do not have a random distribution. Rather, they were found to be arranged in spatial associations and temporal successions that indicate they changed over time. On Earth, if such MISS occurred with this type of spatial association and temporal succession, they would be interpreted as having recorded the growth of a microbially dominated ecosystem that thrived in pools that later dried completely: erosional pockets, mat chips, and roll-ups resulted from water eroding an ancient microbial mat-covered sedimentary surface; during the course of subsequent water recess, channels would have cut deep into the microbial mats, leaving erosional remnants behind; desiccation cracks and gas domes would have occurred during a final period of subaerial exposure of the microbial mats. In this paper, the similarities of the macroscopic morphologies, spatial associations, and temporal succession of sedimentary structures on Mars to MISS preserved on Earth has led to the following hypothesis: The sedimentary structures in the <3.7 Ga Gillespie Lake Member on Mars are ancient MISS produced by interactions between microbial mats and their environment. Proposed here is a strategy for detecting, identifying, confirming, and differentiating possible MISS during current and future Mars missions.

Examining the volume efficiency of the cortical architecture in a multi-processor network model.

PubMed

Ruppin, E; Schwartz, E L; Yeshurun, Y

1993-01-01

The convoluted form of the sheet-like mammalian cortex naturally raises the question whether there is a simple geometrical reason for the prevalence of cortical architecture in the brains of higher vertebrates. Addressing this question, we present a formal analysis of the volume occupied by a massively connected network or processors (neurons) and then consider the pertaining cortical data. Three gross macroscopic features of cortical organization are examined: the segregation of white and gray matter, the circumferential organization of the gray matter around the white matter, and the folded cortical structure. Our results testify to the efficiency of cortical architecture.

Anisotropic failure and size effects in periodic honeycomb materials: A gradient-elasticity approach

NASA Astrophysics Data System (ADS)

Réthoré, Julien; Dang, Thi Bach Tuyet; Kaltenbrunner, Christine

2017-02-01

This paper proposes a fracture mechanics model for the analysis of crack propagation in periodic honeycomb materials. The model is based on gradient-elasticity which enables us to account for the effect of the material structure at the macroscopic scale. For simulating the propagation of cracks along an arbitrary path, the numerical implementation is elaborated based on an extended finite element method with the required level of continuity. The two main features captured by the model are directionality and size effect. The numerical predictions are consistent with experimental results on honeycomb materials but also with results reported in the literature for microstructurally short cracks in metals.

High-Fidelity Micromechanics Model Developed for the Response of Multiphase Materials

NASA Technical Reports Server (NTRS)

Aboudi, Jacob; Pindera, Marek-Jerzy; Arnold, Steven M.

2002-01-01

A new high-fidelity micromechanics model has been developed under funding from the NASA Glenn Research Center for predicting the response of multiphase materials with arbitrary periodic microstructures. The model's analytical framework is based on the homogenization technique, but the method of solution for the local displacement and stress fields borrows concepts previously employed in constructing the higher order theory for functionally graded materials. The resulting closed-form macroscopic and microscopic constitutive equations, valid for both uniaxial and multiaxial loading of periodic materials with elastic and inelastic constitutive phases, can be incorporated into a structural analysis computer code. Consequently, this model now provides an alternative, accurate method.

Effect of cryogenic treatment on the fracture toughness of aircraft aluminum alloy 7075

NASA Astrophysics Data System (ADS)

Ermishkin, V. A.; Soloveva, Y. B.

2018-04-01

Influence of three types of the treatment on fracture toughness of the Al-7075 alloy was investigated in this study. Commercial Al-7075 alloy in the solid solution heat-treated condition was processed by hardening with post-cryogenic deformation treatment and PVD deposition titanium and copper coatings. The fracture toughness was estimated with using macroscopic and microscopic approaches. The conditions for the coincidence of the fracture toughness estimates between brittle fracture mechanics and the photometric analysis of structural images (PHASI) methods were achieved. The highest fracture toughness was obtained by applying hardening, cryogenic compression, ageing and deposition of the Ti-coating, leading to dispersion particles precipitation.

Creating an Optimal 3D Printed Model for Temporal Bone Dissection Training.

PubMed

Takahashi, Kuniyuki; Morita, Yuka; Ohshima, Shinsuke; Izumi, Shuji; Kubota, Yamato; Yamamoto, Yutaka; Takahashi, Sugata; Horii, Arata

2017-07-01

Making a 3-dimensional (3D) temporal bone model is simple using a plaster powder bed and an inkjet printer. However, it is difficult to reproduce air-containing spaces and precise middle ear structures. The objective of this study was to overcome these problems and create a temporal bone model that would be useful both as a training tool and for preoperative simulation. Drainage holes were made to remove excess materials from air-containing spaces, ossicle ligaments were manually changed to bony structures, and small and/or soft tissue structures were colored differently while designing the 3D models. The outcomes were evaluated by 3 procedures: macroscopic and endoscopic inspection of the model, comparison of computed tomography (CT) images of the model to the original CT, and assessment of tactile sensation and reproducibility by 20 surgeons performing surgery on the model. Macroscopic and endoscopic inspection, CT images, and assessment by surgeons were in agreement in terms of reproducibility of model structures. Most structures could be reproduced, but the stapes, tympanic sinus, and mastoid air cells were unsatisfactory. Perioperative tactile sensation of the model was excellent. Although this model still does not embody perfect reproducibility, it proved sufficiently practical for use in surgical training.

Contact force structure and force chains in 3D sheared granular systems

NASA Astrophysics Data System (ADS)

Mair, Karen; Jettestuen, Espen; Abe, Steffen

2010-05-01

Faults often exhibit accumulations of granular debris, ground up to create a layer of rock flour or fault gouge separating the rigid fault walls. Numerical simulations and laboratory experiments of sheared granular materials, suggest that applied loads are preferentially transmitted across such systems by transient force networks that carry enhanced forces. The characterisation of such features is important since their nature and persistence almost certainly influence the macroscopic mechanical stability of these systems and potentially that of natural faults. 3D numerical simulations of granular shear are a valuable investigation tool since they allow us to track individual particle motions, contact forces and their evolution during applied shear, that are difficult to view directly in laboratory experiments or natural fault zones. In characterising contact force distributions, it is important to use global structure measures that allow meaningful comparisons of granular systems having e.g. different grain size distributions, as may be expected at different stages of a fault's evolution. We therefore use a series of simple measures to characterise the structure, such as distributions and correlations of contact forces that can be mapped onto a force network percolation problem as recently proposed by Ostojic and coworkers for 2D granular systems. This allows the use of measures from percolation theory to both define and characterise the force networks. We demonstrate the application of this method to 3D simulations of a sheared granular material. Importantly, we then compare our measure of the contact force structure with macroscopic frictional behaviour measured at the boundaries of our model to determine the influence of the force networks on macroscopic mechanical stability.

Characterising protein, salt and water interactions with combined vibrational spectroscopic techniques.

PubMed

Perisic, Nebojsa; Afseth, Nils Kristian; Ofstad, Ragni; Hassani, Sahar; Kohler, Achim

2013-05-01

In this paper a combination of NIR spectroscopy and FTIR and Raman microspectroscopy was used to elucidate the effects of different salts (NaCl, KCl and MgSO(4)) on structural proteins and their hydration in muscle tissue. Multivariate multi-block technique Consensus Principal Component Analysis enabled integration of different vibrational spectroscopic techniques: macroscopic information obtained by NIR spectroscopy is directly related to microscopic information obtained by FTIR and Raman microspectroscopy. Changes in protein secondary structure observed at different concentrations of salts were linked to changes in protein hydration affinity. The evidence for this was given by connecting the underlying FTIR bands of the amide I region (1700-1600 cm(-1)) and the water region (3500-3000 cm(-1)) with water vibrations obtained by NIR spectroscopy. In addition, Raman microspectroscopy demonstrated that different cations affected structures of aromatic amino acid residues differently, which indicates that cation-π interactions play an important role in determination of the final structure of protein molecules. Copyright © 2012 Elsevier Ltd. All rights reserved.

A Structural Perspective on the Dynamics of Kinesin Motors

PubMed Central

Hyeon, Changbong; Onuchic, José N.

2011-01-01

Despite significant fluctuation under thermal noise, biological machines in cells perform their tasks with exquisite precision. Using molecular simulation of a coarse-grained model and theoretical arguments, we envisaged how kinesin, a prototype of biological machines, generates force and regulates its dynamics to sustain persistent motor action. A structure-based model, which can be versatile in adapting its structure to external stresses while maintaining its native fold, was employed to account for several features of kinesin dynamics along the biochemical cycle. This analysis complements our current understandings of kinesin dynamics and connections to experiments. We propose a thermodynamic cycle for kinesin that emphasizes the mechanical and regulatory role of the neck linker and clarify issues related to the motor directionality, and the difference between the external stalling force and the internal tension responsible for the head-head coordination. The comparison between the thermodynamic cycle of kinesin and macroscopic heat engines highlights the importance of structural change as the source of work production in biomolecular machines. PMID:22261064

Structural and mechanical features of the order-disorder transition in experimental hard-sphere packings

NASA Astrophysics Data System (ADS)

Hanifpour, M.; Francois, N.; Robins, V.; Kingston, A.; Vaez Allaei, S. M.; Saadatfar, M.

2015-06-01

Here we present an experimental and numerical investigation on the grain-scale geometrical and mechanical properties of partially crystallized structures made of macroscopic frictional grains. Crystallization is inevitable in arrangements of monosized hard spheres with packing densities exceeding Bernal's limiting density ϕBernal≈0.64 . We study packings of monosized hard spheres whose density spans over a wide range (0.59 <ϕ <0.72 ) . These experiments harness x-ray computed tomography, three-dimensional image analysis, and numerical simulations to access precisely the geometry and the 3D structure of internal forces within the sphere packings. We show that clear geometrical transitions coincide with modifications of the mechanical backbone of the packing both at the grain and global scale. Notably, two transitions are identified at ϕBernal≈0.64 and ϕc≈0.68 . These results provide insights on how geometrical and mechanical features at the grain scale conspire to yield partially crystallized structures that are mechanically stable.

Experimental and numerical analysis of pre-compressed masonry walls in two-way-bending with second order effects

NASA Astrophysics Data System (ADS)

Milani, Gabriele; Olivito, Renato S.; Tralli, Antonio

2014-10-01

The buckling behavior of slender unreinforced masonry (URM) walls subjected to axial compression and out-of-plane lateral loads is investigated through a combined experimental and numerical homogenizedapproach. After a preliminary analysis performed on a unit cell meshed by means of elastic FEs and non-linear interfaces, macroscopic moment-curvature diagrams so obtained are implemented at a structural level, discretizing masonry by means of rigid triangular elements and non-linear interfaces. The non-linear incremental response of the structure is accounted for a specific quadratic programming routine. In parallel, a wide experimental campaign is conducted on walls in two way bending, with the double aim of both validating the numerical model and investigating the behavior of walls that may not be reduced to simple cantilevers or simply supported beams. Panels investigated are dry-joint in scale square walls simply supported at the base and on a vertical edge, exhibiting the classical Rondelet's mechanism. The results obtained are compared with those provided by the numerical model.

Leaf Dimorphism Of Microgramma Squamulosa (Polypodiaceae): a qualitative and quantitative analysis focusing on adaptations to epiphytism.

PubMed

Rocha, Ledyane Dalgallo; Droste, Annette; Gehlen, Günther; Schmitt, Jairo Lizandro

2013-03-01

The epiphytic fern Microgramma squamulosa occurs in the Neotropics and shows dimorphic sterile and fertile leaves. The present study aimed to describe and compare qualitatively and quantitatively macroscopic and microscopic structural characteristics of the dimorphic leaves of M. squamulosa, to point more precisely those characteristics which may contribute to epiphytic adaptations. In June 2009, six isolated host trees covered by M squamulosa were selected close to the edge of a semi-deciduous seasonal forest fragment in the municipality of Novo Hamburgo, State of Rio Grande do Sul, Brazil. Macroscopic and microscopic analyzes were performed from 192 samples for each leaf type, and permanent and semi-permanent slides were prepared. Sections were observed under light microscopy using image capture software to produce illustrations and scales, as well as to perform quantitative analyses. Fertile and sterile leaves had no qualitative structural differences, being hypostomatous and presenting uniseriate epidermis, homogeneous chlorenchyma, amphicribal vascular bundle, and hypodermis. The presence of hypodermal tissue and the occurrence of stomata at the abaxial face are typical characteristics ofxeromorphic leaves. Sterile leaves showed significantly larger areas (14.80cm2), higher sclerophylly index (0.13g/cm2) and higher stomatal density (27.75stomata/mm2) than fertile leaves. The higher sclerophylly index and the higher stomatal density observed in sterile leaves are features that make these leaves more xeromorphic, enhancing their efficiency to deal with limited water availability in the epiphytic environment, compared to fertile leaves.

Cluster and constraint analysis in tetrahedron packings

NASA Astrophysics Data System (ADS)

Jin, Weiwei; Lu, Peng; Liu, Lufeng; Li, Shuixiang

2015-04-01

The disordered packings of tetrahedra often show no obvious macroscopic orientational or positional order for a wide range of packing densities, and it has been found that the local order in particle clusters is the main order form of tetrahedron packings. Therefore, a cluster analysis is carried out to investigate the local structures and properties of tetrahedron packings in this work. We obtain a cluster distribution of differently sized clusters, and peaks are observed at two special clusters, i.e., dimer and wagon wheel. We then calculate the amounts of dimers and wagon wheels, which are observed to have linear or approximate linear correlations with packing density. Following our previous work, the amount of particles participating in dimers is used as an order metric to evaluate the order degree of the hierarchical packing structure of tetrahedra, and an order map is consequently depicted. Furthermore, a constraint analysis is performed to determine the isostatic or hyperstatic region in the order map. We employ a Monte Carlo algorithm to test jamming and then suggest a new maximally random jammed packing of hard tetrahedra from the order map with a packing density of 0.6337.

Ultrasonic constraint of the microfracture anisotropy of flysch rocks from the Podhale Synclinorium (Poland)

NASA Astrophysics Data System (ADS)

Kłopotowska, Agnieszka

2018-01-01

This paper attempts to show the relationship between joints observed in flysch formations in the field and microfracture fabrics invisible to the naked eye in hand specimens. Ultrasonic measurements demonstrate that the intensity and orientations of domains "memorised" by rock specimens are associated with the historical stresses within the rock mass rather than the rock lamination. The spatial orientations of these microfractures have been measured, and their dynamic-elastic properties have been found to correlate with the orientation of macroscopic joint sets measured in the field. The elastic properties measured vary because of sedimentary diagenetic processes that occured during the tectonic deformations of these flysch rocks in the Podhale Synclinorium of Poland. The structural discontinuities detected by ultrasonic measurements can be perceived as an incipient phase of the macroscopic joints already visible in the field and are attributed to the in situ residual tectonic stresses. Such historical stresses impart a hidden mechanical anisotropy to the entire flysch sequence. The microfractures will develop into macroscopic joints during future relaxation of the exposed rock mass. Understanding the nature and orientation of the invisible microfracture anisotropy that will become macroscopic in the future is vital for the safe and efficient engineering of any rock mass.

Reversible and dissipative macroscopic contributions to the stress tensor: active or passive?

PubMed

Brand, H R; Pleiner, H; Svenšek, D

2014-09-01

The issue of dynamic contributions to the macroscopic stress tensor has been of high interest in the field of bio-inspired active systems over the last few years. Of particular interest is a direct coupling ("active term") of the stress tensor with the order parameter, the latter describing orientational order induced by active processes. Here we analyze more generally possible reversible and irreversible dynamic contributions to the stress tensor for various passive and active macroscopic systems. This includes systems with tetrahedral/octupolar order, polar and non-polar (chiral) nematic and smectic liquid crystals, as well as active fluids with a dynamic preferred (polar or non-polar) direction. We show that it cannot a priori be seen, neither from the symmetry properties of the macroscopic variables involved, nor from the structure of the cross-coupling contributions to the stress tensor, whether the system studied is active or passive. Rather, that depends on whether the variables that give rise to those cross-couplings in the stress tensor are driven or not. We demonstrate that several simplified descriptions of active systems in the literature that neglect the necessary counter term to the active term violate linear irreversible thermodynamics and lead to an unphysical contribution to the entropy production.

A Possible Link Between Macroscopic Wear and Temperature Dependent Friction Behaviors of MoS2 Coatings

DTIC Science & Technology

2008-09-01

In situ analysis of third body contributions to sliding friction of a pb-mo-s coating in dry and humid air. Tribol. Lett. 28, 263–274 (2007). doi...activated behavior in macroscopic tribology is reserved for systems with stable interfaces and ultra-low wear, and athermal behavior is characteristic to...efforts to measure and under- stand tribological behavior at cryogenic temperatures; to date, results of these efforts show either no trend or con- flicting

Macroscopic tensile plasticity by scalarizating stress distribution in bulk metallic glass

PubMed Central

Gao, Meng; Dong, Jie; Huan, Yong; Wang, Yong Tian; Wang, Wei-Hua

2016-01-01

The macroscopic tensile plasticity of bulk metallic glasses (BMGs) is highly desirable for various engineering applications. However, upon yielding, plastic deformation of BMGs is highly localized into narrow shear bands and then leads to the “work softening” behaviors and subsequently catastrophic fracture, which is the major obstacle for their structural applications. Here we report that macroscopic tensile plasticity in BMG can be obtained by designing surface pore distribution using laser surface texturing. The surface pore array by design creates a complex stress field compared to the uniaxial tensile stress field of conventional glassy specimens, and the stress field scalarization induces the unusual tensile plasticity. By systematically analyzing fracture behaviors and finite element simulation, we show that the stress field scalarization can resist the main shear band propagation and promote the formation of larger plastic zones near the pores, which undertake the homogeneous tensile plasticity. These results might give enlightenment for understanding the deformation mechanism and for further improvement of the mechanical performance of metallic glasses. PMID:26902264

Macroscopic description of complex adaptive networks coevolving with dynamic node states

NASA Astrophysics Data System (ADS)

Wiedermann, Marc; Donges, Jonathan F.; Heitzig, Jobst; Lucht, Wolfgang; Kurths, Jürgen

2015-05-01

In many real-world complex systems, the time evolution of the network's structure and the dynamic state of its nodes are closely entangled. Here we study opinion formation and imitation on an adaptive complex network which is dependent on the individual dynamic state of each node and vice versa to model the coevolution of renewable resources with the dynamics of harvesting agents on a social network. The adaptive voter model is coupled to a set of identical logistic growth models and we mainly find that, in such systems, the rate of interactions between nodes as well as the adaptive rewiring probability are crucial parameters for controlling the sustainability of the system's equilibrium state. We derive a macroscopic description of the system in terms of ordinary differential equations which provides a general framework to model and quantify the influence of single node dynamics on the macroscopic state of the network. The thus obtained framework is applicable to many fields of study, such as epidemic spreading, opinion formation, or socioecological modeling.

First-principles based calculation of the macroscopic α/β interface in titanium

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

Li, Dongdong; Key Lab of Nonferrous Materials of Ministry of Education, Central South University, Changsha 410083; Zhu, Lvqi

2016-06-14

The macroscopic α/β interface in titanium and titanium alloys consists of a ledge interface (112){sub β}/(01-10){sub α} and a side interface (11-1){sub β}/(2-1-10){sub α} in a zig-zag arrangement. Here, we report a first-principles study for predicting the atomic structure and the formation energy of the α/β-Ti interface. Both component interfaces were calculated using supercell models within a restrictive relaxation approach, with various staking sequences and high-symmetry parallel translations being considered. The ledge interface energy was predicted as 0.098 J/m{sup 2} and the side interface energy as 0.811 J/m{sup 2}. By projecting the zig-zag interface area onto the macroscopic broad face, the macroscopicmore » α/β interface energy was estimated to be as low as ∼0.12 J/m{sup 2}, which, however, is almost double the ad hoc value used in previous phase-field simulations.« less

Electromagnetic stress at the boundary: Photon pressure or tension?

PubMed

Wang, Shubo; Ng, Jack; Xiao, Meng; Chan, Che Ting

2016-03-01

It is well known that incident photons carrying momentum ℏk exert a positive photon pressure. But if light is impinging from a negative refractive medium in which ℏk is directed toward the source of radiation, should light exert a photon "tension" instead of a photon pressure? Using an ab initio method that takes the underlying microstructure of a material into account, we find that when an electromagnetic wave propagates from one material into another, the electromagnetic stress at the boundary is, in fact, indeterminate if only the macroscopic parameters are specified. Light can either pull or push the boundary, depending not only on the macroscopic parameters but also on the microscopic lattice structure of the polarizable units that constitute the medium. Within the context of an effective-medium approach, the lattice effect is attributed to electrostriction and magnetostriction, which can be accounted for by the Helmholtz stress tensor if we use the macroscopic fields to calculate the boundary optical stress.

Electromagnetic stress at the boundary: Photon pressure or tension?

PubMed Central

Wang, Shubo; Ng, Jack; Xiao, Meng; Chan, Che Ting

2016-01-01

It is well known that incident photons carrying momentum ℏk exert a positive photon pressure. But if light is impinging from a negative refractive medium in which ℏk is directed toward the source of radiation, should light exert a photon “tension” instead of a photon pressure? Using an ab initio method that takes the underlying microstructure of a material into account, we find that when an electromagnetic wave propagates from one material into another, the electromagnetic stress at the boundary is, in fact, indeterminate if only the macroscopic parameters are specified. Light can either pull or push the boundary, depending not only on the macroscopic parameters but also on the microscopic lattice structure of the polarizable units that constitute the medium. Within the context of an effective-medium approach, the lattice effect is attributed to electrostriction and magnetostriction, which can be accounted for by the Helmholtz stress tensor if we use the macroscopic fields to calculate the boundary optical stress. PMID:27034987

Macroscopic description of complex adaptive networks coevolving with dynamic node states.

PubMed

Wiedermann, Marc; Donges, Jonathan F; Heitzig, Jobst; Lucht, Wolfgang; Kurths, Jürgen

2015-05-01

In many real-world complex systems, the time evolution of the network's structure and the dynamic state of its nodes are closely entangled. Here we study opinion formation and imitation on an adaptive complex network which is dependent on the individual dynamic state of each node and vice versa to model the coevolution of renewable resources with the dynamics of harvesting agents on a social network. The adaptive voter model is coupled to a set of identical logistic growth models and we mainly find that, in such systems, the rate of interactions between nodes as well as the adaptive rewiring probability are crucial parameters for controlling the sustainability of the system's equilibrium state. We derive a macroscopic description of the system in terms of ordinary differential equations which provides a general framework to model and quantify the influence of single node dynamics on the macroscopic state of the network. The thus obtained framework is applicable to many fields of study, such as epidemic spreading, opinion formation, or socioecological modeling.

Microfibres and macroscopic films from the coordination-driven hierarchical self-assembly of cylindrical micelles

PubMed Central

Lunn, David J.; Gould, Oliver E. C.; Whittell, George R.; Armstrong, Daniel P.; Mineart, Kenneth P.; Winnik, Mitchell A.; Spontak, Richard J.; Pringle, Paul G.; Manners, Ian

2016-01-01

Anisotropic nanoparticles prepared from block copolymers are of growing importance as building blocks for the creation of synthetic hierarchical materials. However, the assembly of these structural units is generally limited to the use of amphiphilic interactions. Here we report a simple, reversible coordination-driven hierarchical self-assembly strategy for the preparation of micron-scale fibres and macroscopic films based on monodisperse cylindrical block copolymer micelles. Coordination of Pd(0) metal centres to phosphine ligands immobilized within the soluble coronas of block copolymer micelles is found to induce intermicelle crosslinking, affording stable linear fibres comprised of micelle subunits in a staggered arrangement. The mean length of the fibres can be varied by altering the micelle concentration, reaction stoichiometry or aspect ratio of the micelle building blocks. Furthermore, the fibres aggregate on drying to form robust, self-supporting macroscopic micelle-based thin films with useful mechanical properties that are analogous to crosslinked polymer networks, but on a longer length scale. PMID:27538877

The prominent photoinduced voltage effect of as-prepared macroscopically long Ag core/Ni shell nanoheterojunctions.

PubMed

Sun, Jia-Lin; Zhao, Xingchen; Zhu, Jia-Lin

2008-02-27

Macroscopically long Ag core/Ni shell nanoheterojunctions have been well prepared by a dynamic growth approach. The structure characterized in detail by scanning electron microscopy reveals that the Ag nanowire bundles are wrapped in Ni nanoshields and form multicore coaxial cable frames. Notable photoinduced voltage with a fine repeatability, for irradiation with a laser, is exhibited compared with the case for bulk Ag pole/Ni shell heterojunctions and Ag nanowire bundle/bulk Ni heterojunctions. The prominent photoinduced voltage and the substantial metal nanoscale Ohmic interconnects provided by this kind of nanoheterojunction may have a wide range of applications in the future.

Agreement between preoperative transvaginal ultrasound and intraoperative macroscopic examination for assessing myometrial infiltration in low-risk endometrioid carcinoma.

PubMed

Pineda, L; Alcázar, J L; Caparrós, M; Mínguez, J A; Idoate, M A; Quiceno, H; Solórzano, J L; Jurado, M

2016-03-01

To compare diagnostic performance of preoperative transvaginal ultrasound (TVS) and intraoperative macroscopic examination for determining myometrial infiltration in women with low-risk endometrial cancer, and to estimate the agreement between the two methods. This was a single-center observational study comprising women with preoperative diagnosis of well- or moderately differentiated endometrioid carcinoma of the endometrium. All women underwent preoperative TVS by a single examiner. According to the examiner's subjective impression, myometrial infiltration was stated as ≥ 50% or < 50%. Surgical staging was performed in all cases. Intraoperative macroscopic examination of the removed uterus was performed by pathologists who were unaware of the ultrasound findings, and myometrial infiltration was stated as ≥ 50% or < 50%. Definitive histological diagnosis of myometrial infiltration was made by frozen section analysis and was used as the gold standard. Sensitivity and specificity with 95% CIs were calculated for TVS and intraoperative macroscopic inspection and compared using McNemar's test. Agreement between TVS and intraoperative macroscopic inspection was estimated using Cohen's kappa index (κ) and percentage of agreement. Of 209 eligible women, 152 were ultimately included. Mean (± SD) age was 60.9 ± 10.2 years, with a range of 32-91 years. Definitive histological diagnosis revealed that myometrial infiltration was < 50% in 114 women and ≥ 50% in 38 women. Sensitivity and specificity of TVS for detecting deep myometrial infiltration were 81.6% and 89.5%, respectively, whereas the respective values for intraoperative macroscopic examination were 78.9% and 90.4% (McNemar's test, P > 0.05 when comparing TVS and intraoperative macroscopic examination). Agreement between methods was moderate with κ = 0.54 (95% CI, 0.39-0.69) and percentage of agreement of 82%. Although the agreement between preoperative TVS and intraoperative macroscopic examination for detecting deep myometrial infiltration was only moderate, both methods had similar accuracy when compared with frozen section histology. Preoperative TVS might reasonably be proposed as a method for assessing myometrial infiltration as an alternative to intraoperative macroscopic examination, especially when performed by an experienced examiner and image quality is not poor. Copyright © 2015 ISUOG. Published by John Wiley & Sons Ltd. Copyright © 2015 ISUOG. Published by John Wiley & Sons Ltd.

A Bottom-Up Approach to Understanding Protein Layer Formation at Solid-Liquid Interfaces

PubMed Central

Kastantin, Mark; Langdon, Blake B.; Schwartz, Daniel K.

2014-01-01

A common goal across different fields (e.g. separations, biosensors, biomaterials, pharmaceuticals) is to understand how protein behavior at solid-liquid interfaces is affected by environmental conditions. Temperature, pH, ionic strength, and the chemical and physical properties of the solid surface, among many factors, can control microscopic protein dynamics (e.g. adsorption, desorption, diffusion, aggregation) that contribute to macroscopic properties like time-dependent total protein surface coverage and protein structure. These relationships are typically studied through a top-down approach in which macroscopic observations are explained using analytical models that are based upon reasonable, but not universally true, simplifying assumptions about microscopic protein dynamics. Conclusions connecting microscopic dynamics to environmental factors can be heavily biased by potentially incorrect assumptions. In contrast, more complicated models avoid several of the common assumptions but require many parameters that have overlapping effects on predictions of macroscopic, average protein properties. Consequently, these models are poorly suited for the top-down approach. Because the sophistication incorporated into these models may ultimately prove essential to understanding interfacial protein behavior, this article proposes a bottom-up approach in which direct observations of microscopic protein dynamics specify parameters in complicated models, which then generate macroscopic predictions to compare with experiment. In this framework, single-molecule tracking has proven capable of making direct measurements of microscopic protein dynamics, but must be complemented by modeling to combine and extrapolate many independent microscopic observations to the macro-scale. The bottom-up approach is expected to better connect environmental factors to macroscopic protein behavior, thereby guiding rational choices that promote desirable protein behaviors. PMID:24484895

[Algo-bacterial communities of the Kulunda steppe (Altai region, Russia) soda lakes].

PubMed

Samylina, O S; Sapozhnikov, F V; Gaĭnanova, O Iu; Riabova, A V; Nikitin, M A; Sorokin, D Iu

2015-01-01

The composition and macroscopic structure of the floating oxygenic phototrophic communities from Kulunda steppe soda lakes (Petukhovskoe sodovoe, Tanatara VI, and Gorchiny 3) was described based on the data of the 2011 and 2012 expeditions (Winogradsky Institute of Microbiology). The algo-bacterial community with a green alga Ctenocladus circinnatus as an edificator was the typical one. Filamentous Geitlerinema sp. and Nodosilinea sp. were the dominant cyanobacteria. Apart from C. circinnatus, the algological component of the community contained unicellular green algae Dunaliella viridis and cf. Chlorella minutissima, as well as diatoms (Anomeoneis sphaerophora, Brchysira brebissonii, Brachysira zellensis, Mastogloia pusilla var. subcapitata, Nitzschia amphibia, Nitzschia communis, and Nitzschia sp.1). The latter have not been previously identified in the lakes under study. In all lakes, a considerable increase in salinity was found to result in changes in the composition and macroscopic structure of algo-bacterial communities.

Using the dynamic bond to access macroscopically responsive structurally dynamic polymers

NASA Astrophysics Data System (ADS)

Wojtecki, Rudy J.; Meador, Michael A.; Rowan, Stuart J.

2011-01-01

New materials that have the ability to reversibly adapt to their environment and possess a wide range of responses ranging from self-healing to mechanical work are continually emerging. These adaptive systems have the potential to revolutionize technologies such as sensors and actuators, as well as numerous biomedical applications. We will describe the emergence of a new trend in the design of adaptive materials that involves the use of reversible chemistry (both non-covalent and covalent) to programme a response that originates at the most fundamental (molecular) level. Materials that make use of this approach - structurally dynamic polymers - produce macroscopic responses from a change in the material's molecular architecture (that is, the rearrangement or reorganization of the polymer components, or polymeric aggregates). This design approach requires careful selection of the reversible/dynamic bond used in the construction of the material to control its environmental responsiveness.

Nanocarpets for Trapping Microscopic Particles

NASA Technical Reports Server (NTRS)

Noca, Flavio; Chen, Fei; Hunt, Brian; Bronikowski, Michael; Hoenk, Michael; Kowalczyk, Robert; Choi, Daniel

2004-01-01

Nanocarpets that is, carpets of carbon nanotubes are undergoing development as means of trapping microscopic particles for scientific analysis. Examples of such particles include inorganic particles, pollen, bacteria, and spores. Nanocarpets can be characterized as scaled-down versions of ordinary macroscopic floor carpets, which trap dust and other particulate matter, albeit not purposefully. Nanocarpets can also be characterized as mimicking both the structure and the particle-trapping behavior of ciliated lung epithelia, the carbon nanotubes being analogous to cilia. Carbon nanotubes can easily be chemically functionalized for selective trapping of specific particles of interest. One could, alternatively, use such other three-dimensionally-structured materials as aerogels and activated carbon for the purposeful trapping of microscopic particles. However, nanocarpets offer important advantages over these alternative materials: (1) Nanocarpets are amenable to nonintrusive probing by optical means; and (2) Nanocarpets offer greater surface-to-volume ratios.

Geometry and Mechanics in the Opening of Chiral Seed Pods

NASA Astrophysics Data System (ADS)

Armon, Shahaf; Efrati, Efi; Kupferman, Raz; Sharon, Eran

2011-09-01

We studied the mechanical process of seed pods opening in Bauhinia variegate and found a chirality-creating mechanism, which turns an initially flat pod valve into a helix. We studied configurations of strips cut from pod valve tissue and from composite elastic materials that mimic its structure. The experiments reveal various helical configurations with sharp morphological transitions between them. Using the mathematical framework of “incompatible elasticity,” we modeled the pod as a thin strip with a flat intrinsic metric and a saddle-like intrinsic curvature. Our theoretical analysis quantitatively predicts all observed configurations, thus linking the pod’s microscopic structure and macroscopic conformation. We suggest that this type of incompatible strip is likely to play a role in the self-assembly of chiral macromolecules and could be used for the engineering of synthetic self-shaping devices.

Matching Microscopic and Macroscopic Responses in Glasses.

PubMed

Baity-Jesi, M; Calore, E; Cruz, A; Fernandez, L A; Gil-Narvion, J M; Gordillo-Guerrero, A; Iñiguez, D; Maiorano, A; Marinari, E; Martin-Mayor, V; Monforte-Garcia, J; Muñoz-Sudupe, A; Navarro, D; Parisi, G; Perez-Gaviro, S; Ricci-Tersenghi, F; Ruiz-Lorenzo, J J; Schifano, S F; Seoane, B; Tarancon, A; Tripiccione, R; Yllanes, D

2017-04-14

We first reproduce on the Janus and Janus II computers a milestone experiment that measures the spin-glass coherence length through the lowering of free-energy barriers induced by the Zeeman effect. Secondly, we determine the scaling behavior that allows a quantitative analysis of a new experiment reported in the companion Letter [S. Guchhait and R. Orbach, Phys. Rev. Lett. 118, 157203 (2017)].PRLTAO0031-900710.1103/PhysRevLett.118.157203 The value of the coherence length estimated through the analysis of microscopic correlation functions turns out to be quantitatively consistent with its measurement through macroscopic response functions. Further, nonlinear susceptibilities, recently measured in glass-forming liquids, scale as powers of the same microscopic length.

Effects of cannabis on pulmonary structure, function and symptoms

PubMed Central

Aldington, Sarah; Williams, Mathew; Nowitz, Mike; Weatherall, Mark; Pritchard, Alison; McNaughton, Amanda; Robinson, Geoffrey; Beasley, Richard

2007-01-01

Background Cannabis is the most widely used illegal drug worldwide. Long‐term use of cannabis is known to cause chronic bronchitis and airflow obstruction, but the prevalence of macroscopic emphysema, the dose‐response relationship and the dose equivalence of cannabis with tobacco has not been determined. Methods A convenience sample of adults from the Greater Wellington region was recruited into four smoking groups: cannabis only, tobacco only, combined cannabis and tobacco and non‐smokers of either substance. Their respiratory status was assessed using high‐resolution CT (HRCT) scanning, pulmonary function tests and a respiratory and smoking questionnaire. Associations between respiratory status and cannabis use were examined by analysis of covariance and logistic regression. Results 339 subjects were recruited into the four groups. A dose‐response relationship was found between cannabis smoking and reduced forced expiratory volume in 1 s to forced vital capacity ratio and specific airways conductance, and increased total lung capacity. For measures of airflow obstruction, one cannabis joint had a similar effect to 2.5–5 tobacco cigarettes. Cannabis smoking was associated with decreased lung density on HRCT scans. Macroscopic emphysema was detected in 1/75 (1.3%), 15/92 (16.3%), 17/91 (18.9%) and 0/81 subjects in the cannabis only, combined cannabis and tobacco, tobacco alone and non‐smoking groups, respectively. Conclusions Smoking cannabis was associated with a dose‐related impairment of large airways function resulting in airflow obstruction and hyperinflation. In contrast, cannabis smoking was seldom associated with macroscopic emphysema. The 1:2.5–5 dose equivalence between cannabis joints and tobacco cigarettes for adverse effects on lung function is of major public health significance. PMID:17666437

Short-Time Glassy Dynamics in Viscous Protein Solutions with Competing Interactions

DOE PAGES

Godfrin, P. Douglas; Hudson, Steven; Hong, Kunlun; ...

2015-11-24

Although there have been numerous investigations of the glass transition for colloidal dispersions with only a short-ranged attraction, less is understood for systems interacting with a long-ranged repulsion in addition to this attraction, which is ubiquitous in aqueous protein solutions at low ionic strength. Highly puri ed concentrated lysozyme solutions are used as a model system and investigated over a large range of protein concentrations at very low ionic strength. Newtonian liquid behavior is observed at all concentrations, even up to 480 mg/mL, where the zero shear viscosity increases by more than three orders of magnitude with increasing concentration. Remarkably,more » despite this macroscopic liquid-like behavior, the measurements of the dynamics in the short-time limit shows features typical of glassy colloidal systems. Investigation of the inter-protein structure indicates that the reduced short-time mobility of the protein is caused by localized regions of high density within a heterogeneous density distribution. This structural heterogeneity occurs on intermediate range length scale, driven by the competing potential features, and is distinct from commonly studied colloidal gel systems in which a heterogeneous density distribution tends to extend to the whole system. The presence of long-ranged repulsion also allows for more mobility over large length and long time scales resulting in the macroscopic relaxation of the structure. The experimental results provide evidence for the need to explicitly include intermediate range order in theories for the macroscopic properties of protein solutions interacting via competing potential features.« less

Macroscopic irreversibility and microscopic paradox: A Constructal law analysis of atoms as open systems

PubMed Central

Lucia, Umberto

2016-01-01

The relation between macroscopic irreversibility and microscopic reversibility is a present unsolved problem. Constructal law is introduced to develop analytically the Einstein’s, Schrödinger’s, and Gibbs’ considerations on the interaction between particles and thermal radiation (photons). The result leads to consider the atoms and molecules as open systems in continuous interaction with flows of photons from their surroundings. The consequent result is that, in any atomic transition, the energy related to the microscopic irreversibility is negligible, while when a great number of atoms (of the order of Avogadro’s number) is considered, this energy related to irreversibility becomes so large that its order of magnitude must be taken into account. Consequently, macroscopic irreversibility results related to microscopic irreversibility by flows of photons and amount of atoms involved in the processes. PMID:27762333

A Qualitative Investigation of Undergraduate Chemistry Students' Macroscopic Interpretations of the Submicroscopic Structure of Molecules.

ERIC Educational Resources Information Center

Nicoll, Gayle

2003-01-01

Reports research that investigates the encoding that students use to develop molecular models at the undergraduate level. Focuses on the translation between symbolic and subatomic representations of molecules. (Contains 31 references.) (DDR)

Defects in electro-optically active polymer solids

NASA Technical Reports Server (NTRS)

Martin, David C.

1993-01-01

There is considerable current interest in the application of organic and polymeric materials for electronic and photonic devices. The rapid, non-linear optical (NLO) response of these materials makes them attractive candidates for waveguides, interferometers, and frequency doublers. In order to realize the full potential of these systems, it is necessary to develop processing schemes which can fabricate these molecules into ordered arrangements. There is enormous potential for introducing well-defined, local variations in microstructure to control the photonic properties of organic materials by rational 'defect engineering.' This effort may eventually become as technologically important as the manipulation of the electronic structure of solid-state silicon based devices is at present. The success of this endeavor will require complimentary efforts in the synthesis, processing, and characterization of new materials. Detailed information about local microstructure will be necessary to understand the influence of symmetry breaking of the solid phases near point, line, and planar defects. In metallic and inorganic polycrystalline materials, defects play an important role in modifying macroscopic properties. To understand the influence of particular defects on the properties of materials, it has proven useful to isolate the defect by creating bicrystals between two-component single crystals. In this way the geometry of a grain boundary defect and its effect on macroscopic properties can be determined unambiguously. In crystalline polymers it would be valuable to establish a similar depth of understanding about the relationship between defect structure and macroscopic properties. Conventionally processed crystalline polymers have small crystallites (10-20 nm), which implies a large defect density in the solid state. Although this means that defects may play an important or even dominant role in crystalline or liquid crystalline polymer systems, it also makes it difficult to isolate the effect of a particular boundary on a macroscopically observed property. However, the development of solid-state and thin-film polymerization mechanisms have facilitated the synthesis of highly organized and ordered polymers. These systems provide a unique opportunity to isolate and investigate in detail the structure of covalently bonded solids near defects and the effect of these defects on the properties of the material. The study of defects in solid polymers has been the subject of a recent review (Martin, 1993).

Micromechanics and constitutive modeling of connective soft tissues.

PubMed

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

2016-07-01

In this paper, a micromechanical model for connective soft tissues based on the available histological evidences is developed. The proposed model constituents i.e. collagen fibers and ground matrix are considered as hyperelastic materials. The matrix material is assumed to be isotropic Neo-Hookean while the collagen fibers are considered to be transversely isotropic hyperelastic. In order to take into account the effects of tissue structure in lower scales on the macroscopic behavior of tissue, a strain energy density function (SEDF) is developed for collagen fibers based on tissue hierarchical structure. Macroscopic response and properties of tissue are obtained using the numerical homogenization method with the help of ABAQUS software. The periodic boundary conditions and the proposed constitutive models are implemented into ABAQUS using the DISP and the UMAT subroutines, respectively. The existence of the solution and stable material behavior of proposed constitutive model for collagen fibers are investigated based on the poly-convexity condition. Results of the presented micromechanics model for connective tissues are compared and validated with available experimental data. Effects of geometrical and material parameters variation at microscale on macroscopic mechanical behavior of tissues are investigated. The results show that decrease in collagen content of the connective tissues like the tendon due to diseases leads 20% more stretch than healthy tissue under the same load which can results in connective tissue malfunction and hypermobility in joints. Copyright © 2016 Elsevier Ltd. All rights reserved.

Macroscopic Hematuria After Conventional or Hypofractionated Radiation Therapy: Results From a Prospective Phase 3 Study

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

Sanguineti, Giuseppe, E-mail: sanguineti@ifo.it; Arcidiacono, Fabio; Landoni, Valeria

2016-10-01

Purpose: To assess the macroscopic hematuria rates within a single-institution randomized phase 3 trial comparing dose-escalated, conventionally fractionated radiation therapy (CFRT) and moderately hypofractionated radiation therapy (MHRT) for localized prostate cancer. Methods and Materials: Patients with intermediate- to high-risk localized prostate cancer were treated with conformal RT and short-course androgen deprivation. Both the prostate and the entire seminal vesicles were treated to 80 Gy in 40 fractions over 8 weeks (CFRT) or 62 Gy in 20 fractions over 5 weeks (MHRT). The endpoint of the present study was the development of any episode or grade of macroscopic hematuria. The median follow-up period was 93 monthsmore » (range 6-143). Results: Macroscopic hematuria was reported by 25 of 168 patients (14.9%). The actuarial estimate of hematuria at 8 years was 17.0% (95% confidence interval [CI] 10.7%-23.3%). The number of patients with hematuria was 6 and 19 in the CFRT and MHRT arms, respectively, for an actuarial 8-year estimate of 9.7% and 24.3%, respectively (hazard ratio 3.468, 95% CI 1.385-8.684; P=.008). Overall, 8 of 25 patients were found to have biopsy-proven urothelial carcinoma (3 in the CFRT arm and 5 in the MHRT arm; P=.27). Thus, the 8-year actuarial incidence of macroscopic hematuria (after censoring urothelial cancer–related episodes) was 4.1% and 18.2% after CFRT and MHRT, respectively (hazard ratio 4.961, 95% CI 1.426-17.263; P=.012). The results were confirmed by multivariate analysis after accounting for several patient-, treatment-, and tumor-related covariates. Conclusions: MHRT was associated with a statistically significant increased risk of macroscopic hematuria compared with CFRT.« less

Thermomechanical Modeling of Shape Memory Alloys and Applications

NASA Astrophysics Data System (ADS)

Lexcellent, C.; Leclercq, S.

The aim of the present paper is a general macroscopic description of the thermomechanical behavior of shape memory alloys (SMA). We use for framework the thermodynamics of irreversible processes. This model is efficient for describing the behavior of "smart" structures as a bronchial, a tentacle element and an prosthesis hybrid structure made of Ti Ni SMA wires embedded in a resin epoxy matrix.

On microscopic structure of the QCD vacuum

NASA Astrophysics Data System (ADS)

Pak, D. G.; Lee, Bum-Hoon; Kim, Youngman; Tsukioka, Takuya; Zhang, P. M.

2018-05-01

We propose a new class of regular stationary axially symmetric solutions in a pure QCD which correspond to monopole-antimonopole pairs at macroscopic scale. The solutions represent vacuum field configurations which are locally stable against quantum gluon fluctuations in any small space-time vicinity. This implies that the monopole-antimonopole pair can serve as a structural element in microscopic description of QCD vacuum formation.

A Four-Dimensional Probabilistic Atlas of the Human Brain

PubMed Central

Mazziotta, John; Toga, Arthur; Evans, Alan; Fox, Peter; Lancaster, Jack; Zilles, Karl; Woods, Roger; Paus, Tomas; Simpson, Gregory; Pike, Bruce; Holmes, Colin; Collins, Louis; Thompson, Paul; MacDonald, David; Iacoboni, Marco; Schormann, Thorsten; Amunts, Katrin; Palomero-Gallagher, Nicola; Geyer, Stefan; Parsons, Larry; Narr, Katherine; Kabani, Noor; Le Goualher, Georges; Feidler, Jordan; Smith, Kenneth; Boomsma, Dorret; Pol, Hilleke Hulshoff; Cannon, Tyrone; Kawashima, Ryuta; Mazoyer, Bernard

2001-01-01

The authors describe the development of a four-dimensional atlas and reference system that includes both macroscopic and microscopic information on structure and function of the human brain in persons between the ages of 18 and 90 years. Given the presumed large but previously unquantified degree of structural and functional variance among normal persons in the human population, the basis for this atlas and reference system is probabilistic. Through the efforts of the International Consortium for Brain Mapping (ICBM), 7,000 subjects will be included in the initial phase of database and atlas development. For each subject, detailed demographic, clinical, behavioral, and imaging information is being collected. In addition, 5,800 subjects will contribute DNA for the purpose of determining genotype– phenotype–behavioral correlations. The process of developing the strategies, algorithms, data collection methods, validation approaches, database structures, and distribution of results is described in this report. Examples of applications of the approach are described for the normal brain in both adults and children as well as in patients with schizophrenia. This project should provide new insights into the relationship between microscopic and macroscopic structure and function in the human brain and should have important implications in basic neuroscience, clinical diagnostics, and cerebral disorders. PMID:11522763

Electric-field-induced strain contributions in morphotropic phase boundary composition of (Bi{sub 1/2}Na{sub 1/2})TiO{sub 3}-BaTiO{sub 3} during poling

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

Khansur, Neamul H.; Daniels, John E.; Hinterstein, Manuel

2015-12-14

The microscopic contributions to the electric-field-induced macroscopic strain in a morphotropic 0.93(Bi{sub 1/2}Na{sub 1/2}TiO{sub 3})−0.07(BaTiO{sub 3}) with a mixed rhombohedral and tetragonal structure have been quantified using full pattern Rietveld refinement of in situ high-energy x-ray diffraction data. The analysis methodology allows a quantification of all strain mechanisms for each phase in a morphotropic composition and is applicable to use in a wide variety of piezoelectric compositions. It is shown that during the poling of this material 24%, 44%, and 32% of the total macroscopic strain is generated from lattice strain, domain switching, and phase transformation strains, respectively. The resultsmore » also suggest that the tetragonal phase contributes the most to extrinsic domain switching strain, whereas the lattice strain primarily stems from the rhombohedral phase. The analysis also suggests that almost 32% of the total strain is lost or is a one-time effect due to the irreversible nature of the electric-field-induced phase transformation in the current composition. This information is relevant to on-going compositional development strategies to harness the electric-field-induced phase transformation strain of (Bi{sub 1/2}Na{sub 1/2})TiO{sub 3}-based lead-free piezoelectric materials for actuator applications.« less

Macroscopic and microscopic variation in recovered magnesium phosphate materials: implications for phosphorus removal processes and product re-use.

PubMed

Massey, Michael S; Ippolito, James A; Davis, Jessica G; Sheffield, Ron E

2010-02-01

Phosphorus (P) recovery and re-use will become increasingly important for water quality protection and sustainable nutrient cycling as environmental regulations become stricter and global P reserves decline. The objective of this study was to examine and characterize several magnesium phosphates recovered from actual wastewater under field conditions. Three types of particles were examined including crystalline magnesium ammonium phosphate hexahydrate (struvite) recovered from dairy wastewater, crystalline magnesium ammonium phosphate hydrate (dittmarite) recovered from a food processing facility, and a heterogeneous product also recovered from dairy wastewater. The particles were analyzed using "wet" chemical techniques, powder X-ray diffraction (XRD), and scanning electron microscopy in conjunction with energy dispersive X-ray spectroscopy (SEM-EDS). The struvite crystals had regular and consistent shape, size, and structure, and SEM-EDS analysis clearly showed the struvite crystals as a surface precipitate on calcium phosphate seed material. In contrast, the dittmarite crystals showed no evidence of seed material, and were not regular in size or shape. The XRD analysis identified no crystalline magnesium phosphates in the heterogeneous product and indicated the presence of sand particles. However, magnesium phosphate precipitates on calcium phosphate seed material were observed in this product under SEM-EDS examination. These substantial variations in the macroscopic and microscopic characteristics of magnesium phosphates recovered under field conditions could affect their potential for beneficial re-use and underscore the need to develop recovery processes that result in a uniform, consistent product.

The Dispersion Tensor and Its Unique Minimizer in Hashin-Shtrikman Micro-structures

NASA Astrophysics Data System (ADS)

Bălilescu, Loredana; Conca, Carlos; Ghosh, Tuhin; San Martín, Jorge; Vanninathan, Muthusamy

2018-05-01

In this paper, we introduce a macroscopic quantity, namely the dispersion tensor or the Burnett coefficients in the class of generalized Hashin-Shtrikman micro-structures (Tartar in The general theory of homogenization, volume 7 of Lecture notes of the Unione Matematica Italiana, Springer, Berlin, p 281, 2009). In the case of two-phase materials associated with the periodic Hashin-Shtrikman structures, we settle the issue that the dispersion tensor has a unique minimizer, which is the so called Apollonian-Hashin-Shtrikman micro-structure.

CAPILLARY CONDENSATION IN MMS AND PORE STRUCTURE CHARACTERIZATION. (R825959)

EPA Science Inventory

Phenomena of capillary condensation and desorption in siliceous mesoporous molecular sieves (MMS) with cylindrical channels are studied by means of the non-local density functional theory (NLDFT). The results are compared with macroscopic thermodynamic approaches based on Kelv...

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.

PubMed

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy relaxation model, which can only be applied to molecules, the new model is applicable to atoms, molecules, ions, and their mixtures. Numerical examples and model validations are carried out with two gas mixtures using the maximum entropy linear model: one mixture consists of nitrogen molecules undergoing internal excitation and dissociation and the other consists of nitrogen atoms undergoing internal excitation and ionization. Results show that the original hundreds to thousands of microscopic equations can be reduced to two macroscopic equations with almost perfect agreement for the total number density and total internal energy using only one or two groups. We also obtain good prediction of the microscopic state populations using 5-10 groups in the macroscopic equations.

Incorporating interfacial phenomena in solidification models

NASA Technical Reports Server (NTRS)

Beckermann, Christoph; Wang, Chao Yang

1994-01-01

A general methodology is available for the incorporation of microscopic interfacial phenomena in macroscopic solidification models that include diffusion and convection. The method is derived from a formal averaging procedure and a multiphase approach, and relies on the presence of interfacial integrals in the macroscopic transport equations. In a wider engineering context, these techniques are not new, but their application in the analysis and modeling of solidification processes has largely been overlooked. This article describes the techniques and demonstrates their utility in two examples in which microscopic interfacial phenomena are of great importance.

Direct and ultrasonic measurements of macroscopic piezoelectricity in sintered hydroxyapatite

NASA Astrophysics Data System (ADS)

Tofail, S. A. M.; Haverty, D.; Cox, F.; Erhart, J.; Hána, P.; Ryzhenko, V.

2009-03-01

Macroscopic piezoelectricity in hydroxyapatite (HA) ceramic was measured by a direct quasistatic method and an ultrasonic interference technique. The effective symmetry of polycrystalline aggregate was established and a detailed theoretical analysis was carried out to determine by these two methods the shear piezoelectric coefficient, d14, of HA. Piezoelectric nature of HA was proved qualitatively although a specific quantitative value for the d14 coefficient could not be established. Ultrasound method was also employed to anisotropic elastic constants, which agreed well with those measured from the first principles.

Using Microwave and Macroscopic Samples of Dielectric Solids to Study the Photonic Properties of Disordered Photonic Bandgap Materials

PubMed Central

Hashemizad, Seyed Reza; Tsitrin, Sam; Yadak, Polin; He, Yingquan; Cuneo, Daniel; Williamson, Eric Paul; Liner, Devin; Man, Weining

2014-01-01

Recently, disordered photonic materials have been suggested as an alternative to periodic crystals for the formation of a complete photonic bandgap (PBG). In this article we will describe the methods for constructing and characterizing macroscopic disordered photonic structures using microwaves. The microwave regime offers the most convenient experimental sample size to build and test PBG media. Easily manipulated dielectric lattice components extend flexibility in building various 2D structures on top of pre-printed plastic templates. Once built, the structures could be quickly modified with point and line defects to make freeform waveguides and filters. Testing is done using a widely available Vector Network Analyzer and pairs of microwave horn antennas. Due to the scale invariance property of electromagnetic fields, the results we obtained in the microwave region can be directly applied to infrared and optical regions. Our approach is simple but delivers exciting new insight into the nature of light and disordered matter interaction. Our representative results include the first experimental demonstration of the existence of a complete and isotropic PBG in a two-dimensional (2D) hyperuniform disordered dielectric structure. Additionally we demonstrate experimentally the ability of this novel photonic structure to guide electromagnetic waves (EM) through freeform waveguides of arbitrary shape. PMID:25285416

Ceramic membranes having macroscopic channels

DOEpatents

Anderson, Marc A.; Peterson, Reid A.

1996-01-01

Methods have been developed to make porous ceramic membranes having macroscopic channels therethrough. The novel membranes are formed by temporarily supporting the sol-gel membrane precursor on an organic support which is ultimately removed from the interior of the membrane, preferably by pyrolysis or by chemical destruction. The organic support may also include an inorganic metal portion that remains on destruction of the organic portion, providing structural support and/or chemical reactivity to the membrane. The channels formed when the organic support is destroyed provide the ability to withdraw small catalytic products or size-separated molecules from the metal oxide membrane. In addition, the channel-containing membranes retain all of the advantages of existing porous ceramic membranes.

Ceramic membranes having macroscopic channels

DOEpatents

Anderson, M.A.; Peterson, R.A.

1996-09-03

Methods have been developed to make porous ceramic membranes having macroscopic channels therethrough. The novel membranes are formed by temporarily supporting the sol-gel membrane precursor on an organic support which is ultimately removed from the interior of the membrane, preferably by pyrolysis or by chemical destruction. The organic support may also include an inorganic metal portion that remains on destruction of the organic portion, providing structural support and/or chemical reactivity to the membrane. The channels formed when the organic support is destroyed provide the ability to withdraw small catalytic products or size-separated molecules from the metal oxide membrane. In addition, the channel-containing membranes retain all of the advantages of existing porous ceramic membranes. 1 fig.

Length-scale crossover of the hydrophobic interaction in a coarse-grained water model

NASA Astrophysics Data System (ADS)

Chaimovich, Aviel; Shell, M. Scott

2013-11-01

It has been difficult to establish a clear connection between the hydrophobic interaction among small molecules typically studied in molecular simulations (a weak, oscillatory force) and that found between large, macroscopic surfaces in experiments (a strong, monotonic force). Here, we show that both types of interaction can emerge with a simple, core-softened water model that captures water's unique pairwise structure. As in hydrophobic hydration, we find that the hydrophobic interaction manifests a length-scale dependence, exhibiting distinct driving forces in the molecular and macroscopic regimes. Moreover, the ability of this simple model to capture both regimes suggests that several features of the hydrophobic force can be understood merely through water's pair correlations.

Length-scale crossover of the hydrophobic interaction in a coarse-grained water model.

PubMed

Chaimovich, Aviel; Shell, M Scott

2013-11-01

It has been difficult to establish a clear connection between the hydrophobic interaction among small molecules typically studied in molecular simulations (a weak, oscillatory force) and that found between large, macroscopic surfaces in experiments (a strong, monotonic force). Here, we show that both types of interaction can emerge with a simple, core-softened water model that captures water's unique pairwise structure. As in hydrophobic hydration, we find that the hydrophobic interaction manifests a length-scale dependence, exhibiting distinct driving forces in the molecular and macroscopic regimes. Moreover, the ability of this simple model to capture both regimes suggests that several features of the hydrophobic force can be understood merely through water's pair correlations.

Silver photo-diffusion and photo-induced macroscopic surface deformation of Ge{sub 33}S{sub 67}/Ag/Si substrate

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

Sakaguchi, Y., E-mail: y-sakaguchi@cross.or.jp; Asaoka, H.; Uozumi, Y.

2016-08-07

Ge-chalcogenide films show various photo-induced changes, and silver photo-diffusion is one of them which attracts lots of interest. In this paper, we report how silver and Ge-chalcogenide layers in Ge{sub 33}S{sub 67}/Ag/Si substrate stacks change under light exposure in the depth by measuring time-resolved neutron reflectivity. It was found from the measurement that Ag ions diffuse all over the matrix Ge{sub 33}S{sub 67} layer once Ag dissolves into the layer. We also found that the surface was macroscopically deformed by the extended light exposure. Its structural origin was investigated by a scanning electron microscopy.

A network approach to the geometric structure of shallow cloud fields

NASA Astrophysics Data System (ADS)

Glassmeier, F.; Feingold, G.

2017-12-01

The representation of shallow clouds and their radiative impact is one of the largest challenges for global climate models. While the bulk properties of cloud fields, including effects of organization, are a very active area of research, the potential of the geometric arrangement of cloud fields for the development of new parameterizations has hardly been explored. Self-organized patterns are particularly evident in the cellular structure of Stratocumulus (Sc) clouds so readily visible in satellite imagery. Inspired by similar patterns in biology and physics, we approach pattern formation in Sc fields from the perspective of natural cellular networks. Our network analysis is based on large-eddy simulations of open- and closed-cell Sc cases. We find the network structure to be neither random nor characteristic to natural convection. It is independent of macroscopic cloud fields properties like the Sc regime (open vs closed) and its typical length scale (boundary layer height). The latter is a consequence of entropy maximization (Lewis's Law with parameter 0.16). The cellular pattern is on average hexagonal, where non-6 sided cells occur according to a neighbor-number distribution variance of about 2. Reflecting the continuously renewing dynamics of Sc fields, large (many-sided) cells tend to neighbor small (few-sided) cells (Aboav-Weaire Law with parameter 0.9). These macroscopic network properties emerge independent of the Sc regime because the different processes governing the evolution of closed as compared to open cells correspond to topologically equivalent network dynamics. By developing a heuristic model, we show that open and closed cell dynamics can both be mimicked by versions of cell division and cell disappearance and are biased towards the expansion of smaller cells. This model offers for the first time a fundamental and universal explanation for the geometric pattern of Sc clouds. It may contribute to the development of advanced Sc parameterizations. As an outlook, we discuss how a similar network approach can be applied to describe and quantify the geometric structure of shallow cumulus cloud fields.

Covalent-supramolecular hybrid polymers as muscle-inspired anisotropic actuators.

PubMed

Chin, Stacey M; Synatschke, Christopher V; Liu, Shuangping; Nap, Rikkert J; Sather, Nicholas A; Wang, Qifeng; Álvarez, Zaida; Edelbrock, Alexandra N; Fyrner, Timmy; Palmer, Liam C; Szleifer, Igal; Olvera de la Cruz, Monica; Stupp, Samuel I

2018-06-19

Skeletal muscle provides inspiration on how to achieve reversible, macroscopic, anisotropic motion in soft materials. Here we report on the bottom-up design of macroscopic tubes that exhibit anisotropic actuation driven by a thermal stimulus. The tube is built from a hydrogel in which extremely long supramolecular nanofibers are aligned using weak shear forces, followed by radial growth of thermoresponsive polymers from their surfaces. The hierarchically ordered tube exhibits reversible anisotropic actuation with changes in temperature, with much greater contraction perpendicular to the direction of nanofiber alignment. We identify two critical factors for the anisotropic actuation, macroscopic alignment of the supramolecular scaffold and its covalent bonding to polymer chains. Using finite element analysis and molecular calculations, we conclude polymer chain confinement and mechanical reinforcement by rigid supramolecular nanofibers are responsible for the anisotropic actuation. The work reported suggests strategies to create soft active matter with molecularly encoded capacity to perform complex tasks.

Automatic macroscopic characterization of diesel sprays by means of a new image processing algorithm

NASA Astrophysics Data System (ADS)

Rubio-Gómez, Guillermo; Martínez-Martínez, S.; Rua-Mojica, Luis F.; Gómez-Gordo, Pablo; de la Garza, Oscar A.

2018-05-01

A novel algorithm is proposed for the automatic segmentation of diesel spray images and the calculation of their macroscopic parameters. The algorithm automatically detects each spray present in an image, and therefore it is able to work with diesel injectors with a different number of nozzle holes without any modification. The main characteristic of the algorithm is that it splits each spray into three different regions and then segments each one with an individually calculated binarization threshold. Each threshold level is calculated from the analysis of a representative luminosity profile of each region. This approach makes it robust to irregular light distribution along a single spray and between different sprays of an image. Once the sprays are segmented, the macroscopic parameters of each one are calculated. The algorithm is tested with two sets of diesel spray images taken under normal and irregular illumination setups.

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

Stobinska, M.; Institute for Theoretical Physics II, Erlangen-Nuernberg University, Erlangen; Sekatski, P.

Quantum correlations may violate the Bell inequalities. Most experimental schemes confirming this prediction have been realized in all-optical Bell tests suffering from the detection loophole. Experiments which simultaneously close this loophole and the locality loophole are highly desirable and remain challenging. An approach to loophole-free Bell tests is based on amplification of the entangled photons (i.e., on macroscopic entanglement), for which an optical signal should be easy to detect. However, the macroscopic states are partially indistinguishable by classical detectors. An interesting idea to overcome these limitations is to replace the postselection by an appropriate preselection immediately after the amplification. Thismore » is in the spirit of state preprocessing revealing hidden nonlocality. Here, we examine one of the possible preselections, but the presented tools can be used for analysis of other schemes. Filtering methods making the macroscopic entanglement useful for Bell tests and quantum protocols are the subject of an intensive study in the field nowadays.« less

Grain-resolved analysis of localized deformation in nickel-titanium wire under tensile load.

PubMed

Sedmák, P; Pilch, J; Heller, L; Kopeček, J; Wright, J; Sedlák, P; Frost, M; Šittner, P

2016-08-05

The stress-induced martensitic transformation in tensioned nickel-titanium shape-memory alloys proceeds by propagation of macroscopic fronts of localized deformation. We used three-dimensional synchrotron x-ray diffraction to image at micrometer-scale resolution the grain-resolved elastic strains and stresses in austenite around one such front in a prestrained nickel-titanium wire. We found that the local stresses in austenite grains are modified ahead of the nose cone-shaped buried interface where the martensitic transformation begins. Elevated shear stresses at the cone interface explain why the martensitic transformation proceeds in a localized manner. We established the crossover from stresses in individual grains to a continuum macroscopic internal stress field in the wire and rationalized the experimentally observed internal stress field and the topology of the macroscopic front by means of finite element simulations of the localized deformation. Copyright © 2016, American Association for the Advancement of Science.

Examining the nature of retrocausal effects in biology and psychology

NASA Astrophysics Data System (ADS)

Mossbridge, Julia

2017-05-01

Multiple laboratories have reported physiological and psychological changes associated with future events that are designed to be unpredictable by normal sensory means. Such phenomena seem to be examples of retrocausality at the macroscopic level. Here I will discuss the characteristics of seemingly retrocausal effects in biology and psychology, specifically examining a biological and a psychological form of precognition, predictive anticipatory activity (PAA) and implicit precognition. The aim of this examination is to offer an analysis of the constraints posed by the characteristics of macroscopic retrocausal effects. Such constraints are critical to assessing any physical theory that purports to explain these effects. Following a brief introduction to recent research on PAA and implicit precognition, I will describe what I believe we have learned so far about the nature of these effects, and conclude with a testable, yet embryonic, model of macroscopic retrocausal phenomena.

Rigorous derivation of the effective model describing a non-isothermal fluid flow in a vertical pipe filled with porous medium

NASA Astrophysics Data System (ADS)

Beneš, Michal; Pažanin, Igor

2018-03-01

This paper reports an analytical investigation of non-isothermal fluid flow in a thin (or long) vertical pipe filled with porous medium via asymptotic analysis. We assume that the fluid inside the pipe is cooled (or heated) by the surrounding medium and that the flow is governed by the prescribed pressure drop between pipe's ends. Starting from the dimensionless Darcy-Brinkman-Boussinesq system, we formally derive a macroscopic model describing the effective flow at small Brinkman-Darcy number. The asymptotic approximation is given by the explicit formulae for the velocity, pressure and temperature clearly acknowledging the effects of the cooling (heating) and porous structure. The theoretical error analysis is carried out to indicate the order of accuracy and to provide a rigorous justification of the effective model.

Cell-accurate optical mapping across the entire developing heart.

PubMed

Weber, Michael; Scherf, Nico; Meyer, Alexander M; Panáková, Daniela; Kohl, Peter; Huisken, Jan

2017-12-29

Organogenesis depends on orchestrated interactions between individual cells and morphogenetically relevant cues at the tissue level. This is true for the heart, whose function critically relies on well-ordered communication between neighboring cells, which is established and fine-tuned during embryonic development. For an integrated understanding of the development of structure and function, we need to move from isolated snap-shot observations of either microscopic or macroscopic parameters to simultaneous and, ideally continuous, cell-to-organ scale imaging. We introduce cell-accurate three-dimensional Ca 2+ -mapping of all cells in the entire electro-mechanically uncoupled heart during the looping stage of live embryonic zebrafish, using high-speed light sheet microscopy and tailored image processing and analysis. We show how myocardial region-specific heterogeneity in cell function emerges during early development and how structural patterning goes hand-in-hand with functional maturation of the entire heart. Our method opens the way to systematic, scale-bridging, in vivo studies of vertebrate organogenesis by cell-accurate structure-function mapping across entire organs.

Tuning and Freezing Disorder in Photonic Crystals using Percolation Lithography

PubMed Central

Burgess, Ian B.; Abedzadeh, Navid; Kay, Theresa M.; Shneidman, Anna V.; Cranshaw, Derek J.; Lončar, Marko; Aizenberg, Joanna

2016-01-01

Although common in biological systems, synthetic self-assembly routes to complex 3D photonic structures with tailored degrees of disorder remain elusive. Here we show how liquids can be used to finely control disorder in porous 3D photonic crystals, leading to complex and hierarchical geometries. In these optofluidic crystals, dynamically tunable disorder is superimposed onto the periodic optical structure through partial wetting or evaporation. In both cases, macroscopic symmetry breaking is driven by subtle sub-wavelength variations in the pore geometry. These variations direct site-selective infiltration of liquids through capillary interactions. Incorporating cross-linkable resins into our liquids, we developed methods to freeze in place the filling patterns at arbitrary degrees of partial wetting and intermediate stages of drying. These percolation lithography techniques produced permanent photonic structures with adjustable disorder. By coupling strong changes in optical properties to subtle differences in fluid behavior, optofluidic crystals may also prove useful in rapid analysis of liquids. PMID:26790372

Optical Trapping and Manipulation in the Single- and Many-Body Limits

NASA Astrophysics Data System (ADS)

Spalding, Gabriel

2007-03-01

Analysis of optical dipole/scattering forces can be done at a variety of levels, some of which are appropriate to the undergraduate curriculum. The addition of simple holographic techniques has extended the basic capabilities of optical tweezing, making it a more viable tool for the assembly of micro-systems and organization of specimens into user-defined structures. In 2D, we have demonstrated an approach that allows optical forces alone to assemble microparticles over macroscopic areas. 3D structures pose greater challenges, but also significant opportunities. Our early efforts at filling a 3D lattice of optical traps led to an appreciation for the dynamics of injected microparticle streams, which yield a surprisingly successful method of sorting or re- routing within microfludic environments. We will discuss the status of efforts using optical trapping to create static many-body structures (both simple and complex), as well as recent results on dynamic interactions. At the same time, some of these techniques have clear pedagogical value, as will be emphasized.

Cell-accurate optical mapping across the entire developing heart

PubMed Central

Meyer, Alexander M; Panáková, Daniela; Kohl, Peter

2017-01-01

Organogenesis depends on orchestrated interactions between individual cells and morphogenetically relevant cues at the tissue level. This is true for the heart, whose function critically relies on well-ordered communication between neighboring cells, which is established and fine-tuned during embryonic development. For an integrated understanding of the development of structure and function, we need to move from isolated snap-shot observations of either microscopic or macroscopic parameters to simultaneous and, ideally continuous, cell-to-organ scale imaging. We introduce cell-accurate three-dimensional Ca2+-mapping of all cells in the entire electro-mechanically uncoupled heart during the looping stage of live embryonic zebrafish, using high-speed light sheet microscopy and tailored image processing and analysis. We show how myocardial region-specific heterogeneity in cell function emerges during early development and how structural patterning goes hand-in-hand with functional maturation of the entire heart. Our method opens the way to systematic, scale-bridging, in vivo studies of vertebrate organogenesis by cell-accurate structure-function mapping across entire organs. PMID:29286002

Making Macroscopic Assemblies of Aligned Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Smalley, Richard E.; Colbert, Daniel T.; Smith, Ken A.; Walters, Deron A.; Casavant, Michael J.; Qin, Xiaochuan; Yakobson, Boris; Hauge, Robert H.; Saini, Rajesh Kumar; Chiung, Wan-Ting;

Generalized statistical mechanics approaches to earthquakes and tectonics.

PubMed

Vallianatos, Filippos; Papadakis, Giorgos; Michas, Georgios

2016-12-01

Despite the extreme complexity that characterizes the mechanism of the earthquake generation process, simple empirical scaling relations apply to the collective properties of earthquakes and faults in a variety of tectonic environments and scales. The physical characterization of those properties and the scaling relations that describe them attract a wide scientific interest and are incorporated in the probabilistic forecasting of seismicity in local, regional and planetary scales. Considerable progress has been made in the analysis of the statistical mechanics of earthquakes, which, based on the principle of entropy, can provide a physical rationale to the macroscopic properties frequently observed. The scale-invariant properties, the (multi) fractal structures and the long-range interactions that have been found to characterize fault and earthquake populations have recently led to the consideration of non-extensive statistical mechanics (NESM) as a consistent statistical mechanics framework for the description of seismicity. The consistency between NESM and observations has been demonstrated in a series of publications on seismicity, faulting, rock physics and other fields of geosciences. The aim of this review is to present in a concise manner the fundamental macroscopic properties of earthquakes and faulting and how these can be derived by using the notions of statistical mechanics and NESM, providing further insights into earthquake physics and fault growth processes.

Generalized statistical mechanics approaches to earthquakes and tectonics

PubMed Central

Papadakis, Giorgos; Michas, Georgios

2016-01-01

Despite the extreme complexity that characterizes the mechanism of the earthquake generation process, simple empirical scaling relations apply to the collective properties of earthquakes and faults in a variety of tectonic environments and scales. The physical characterization of those properties and the scaling relations that describe them attract a wide scientific interest and are incorporated in the probabilistic forecasting of seismicity in local, regional and planetary scales. Considerable progress has been made in the analysis of the statistical mechanics of earthquakes, which, based on the principle of entropy, can provide a physical rationale to the macroscopic properties frequently observed. The scale-invariant properties, the (multi) fractal structures and the long-range interactions that have been found to characterize fault and earthquake populations have recently led to the consideration of non-extensive statistical mechanics (NESM) as a consistent statistical mechanics framework for the description of seismicity. The consistency between NESM and observations has been demonstrated in a series of publications on seismicity, faulting, rock physics and other fields of geosciences. The aim of this review is to present in a concise manner the fundamental macroscopic properties of earthquakes and faulting and how these can be derived by using the notions of statistical mechanics and NESM, providing further insights into earthquake physics and fault growth processes. PMID:28119548

Data-driven signal-resolving approaches of infrared spectra to explore the macroscopic and microscopic spatial distribution of organic and inorganic compounds in plant.

PubMed

Chen, Jian-bo; Sun, Su-qin; Zhou, Qun

2015-07-01

The nondestructive and label-free infrared (IR) spectroscopy is a direct tool to characterize the spatial distribution of organic and inorganic compounds in plant. Since plant samples are usually complex mixtures, signal-resolving methods are necessary to find the spectral features of compounds of interest in the signal-overlapped IR spectra. In this research, two approaches using existing data-driven signal-resolving methods are proposed to interpret the IR spectra of plant samples. If the number of spectra is small, "tri-step identification" can enhance the spectral resolution to separate and identify the overlapped bands. First, the envelope bands of the original spectrum are interpreted according to the spectra-structure correlations. Then the spectrum is differentiated to resolve the underlying peaks in each envelope band. Finally, two-dimensional correlation spectroscopy is used to enhance the spectral resolution further. For a large number of spectra, "tri-step decomposition" can resolve the spectra by multivariate methods to obtain the structural and semi-quantitative information about the chemical components. Principal component analysis is used first to explore the existing signal types without any prior knowledge. Then the spectra are decomposed by self-modeling curve resolution methods to estimate the spectra and contents of significant chemical components. At last, targeted methods such as partial least squares target can explore the content profiles of specific components sensitively. As an example, the macroscopic and microscopic distribution of eugenol and calcium oxalate in the bud of clove is studied.

Matching spatial with ontological brain regions using Java tools for visualization, database access, and integrated data analysis.

PubMed

Bezgin, Gleb; Reid, Andrew T; Schubert, Dirk; Kötter, Rolf

2009-01-01

Brain atlases are widely used in experimental neuroscience as tools for locating and targeting specific brain structures. Delineated structures in a given atlas, however, are often difficult to interpret and to interface with database systems that supply additional information using hierarchically organized vocabularies (ontologies). Here we discuss the concept of volume-to-ontology mapping in the context of macroscopical brain structures. We present Java tools with which we have implemented this concept for retrieval of mapping and connectivity data on the macaque brain from the CoCoMac database in connection with an electronic version of "The Rhesus Monkey Brain in Stereotaxic Coordinates" authored by George Paxinos and colleagues. The software, including our manually drawn monkey brain template, can be downloaded freely under the GNU General Public License. It adds value to the printed atlas and has a wider (neuro-)informatics application since it can read appropriately annotated data from delineated sections of other species and organs, and turn them into 3D registered stacks. The tools provide additional features, including visualization and analysis of connectivity data, volume and centre-of-mass estimates, and graphical manipulation of entire structures, which are potentially useful for a range of research and teaching applications.

GWAS in a Box: Statistical and Visual Analytics of Structured Associations via GenAMap

PubMed Central

Xing, Eric P.; Curtis, Ross E.; Schoenherr, Georg; Lee, Seunghak; Yin, Junming; Puniyani, Kriti; Wu, Wei; Kinnaird, Peter

2014-01-01

With the continuous improvement in genotyping and molecular phenotyping technology and the decreasing typing cost, it is expected that in a few years, more and more clinical studies of complex diseases will recruit thousands of individuals for pan-omic genetic association analyses. Hence, there is a great need for algorithms and software tools that could scale up to the whole omic level, integrate different omic data, leverage rich structure information, and be easily accessible to non-technical users. We present GenAMap, an interactive analytics software platform that 1) automates the execution of principled machine learning methods that detect genome- and phenome-wide associations among genotypes, gene expression data, and clinical or other macroscopic traits, and 2) provides new visualization tools specifically designed to aid in the exploration of association mapping results. Algorithmically, GenAMap is based on a new paradigm for GWAS and PheWAS analysis, termed structured association mapping, which leverages various structures in the omic data. We demonstrate the function of GenAMap via a case study of the Brem and Kruglyak yeast dataset, and then apply it on a comprehensive eQTL analysis of the NIH heterogeneous stock mice dataset and report some interesting findings. GenAMap is available from http://sailing.cs.cmu.edu/genamap. PMID:24905018

Wave propagation in a strongly heterogeneous elastic porous medium: Homogenization of Biot medium with double porosities

NASA Astrophysics Data System (ADS)

Rohan, Eduard; Naili, Salah; Nguyen, Vu-Hieu

2016-08-01

We study wave propagation in an elastic porous medium saturated with a compressible Newtonian fluid. The porous network is interconnected whereby the pores are characterized by two very different characteristic sizes. At the mesoscopic scale, the medium is described using the Biot model, characterized by a high contrast in the hydraulic permeability and anisotropic elasticity, whereas the contrast in the Biot coupling coefficient is only moderate. Fluid motion is governed by the Darcy flow model extended by inertia terms and by the mass conservation equation. The homogenization method based on the asymptotic analysis is used to obtain a macroscopic model. To respect the high contrast in the material properties, they are scaled by the small parameter, which is involved in the asymptotic analysis and characterized by the size of the heterogeneities. Using the estimates of wavelengths in the double-porosity networks, it is shown that the macroscopic descriptions depend on the contrast in the static permeability associated with pores and micropores and on the frequency. Moreover, the microflow in the double porosity is responsible for fading memory effects via the macroscopic poroviscoelastic constitutive law. xml:lang="fr"

Core-shell structure disclosed in self-assembled Cu-Ag nanoalloy particles

NASA Astrophysics Data System (ADS)

Tchaplyguine, M.; Andersson, T.; Zhang, Ch.; Björneholm, O.

2013-03-01

Core-shell segregation of copper and silver in self-assembled, free nanoparticles is established by means of photoelectron spectroscopy in a wide range of relative Cu-Ag concentrations. These conclusions are based on the analysis of the photon-energy-dependent changes of the Cu 3d and Ag 4d photoelectron spectra. The nanoparticles are formed from mixed Cu-Ag atomic vapor created by magnetron sputtering of a bimetallic sample in a gas-aggregation cluster source. Even at similar Cu and Ag fractions in the primary vapor the surface of the nanoparticles is dominated by silver. Only at low Ag concentration copper appears on the surface of nanoparticles. For the latter case, a threefold decrease in the Ag 4d spin-orbit splitting has been detected. The specific component distribution and electronic structure changes are discussed in connection with the earlier results on Cu-Ag macroscopic and surface alloys.

Moisture changes in the plant cell wall force cellulose crystallites to deform.

PubMed

Zabler, S; Paris, O; Burgert, I; Fratzl, P

2010-08-01

Nano-crystallite deformation of cellulose microfibrils in the secondary cell wall layer of spruce wood tracheids was observed during de- and rehydration experiments below the fibre saturation point. A quantitative analysis of the (004), (200) and the (110)/(11 0) doublet X-ray diffraction peaks revealed longitudinal contraction, lateral expansion and changes in the monoclinic angle of the cellulose unit cell during drying of wood fibres. Experiments on unfixed samples as well as the simultaneous application of mechanical tensile and dehydration stress to samples hold at constant length showed two deformation mechanisms of different nature and magnitude. The first mechanism depends on the relative wood moisture content and the second one on the macroscopic tensile stress. These findings imply a new perspective on the role of water adsorption perceiving a hydration-induced structural change of cellulose crystal structure as a major driving force for deformation. Copyright 2010 Elsevier Inc. All rights reserved.

Numerical simulation of microstructural damage and tensile strength of snow

NASA Astrophysics Data System (ADS)

Hagenmuller, Pascal; Theile, Thiemo C.; Schneebeli, Martin

2014-01-01

This contribution uses finite-element analysis to simulate microstructural failure processes and the tensile strength of snow. The 3-D structure of snow was imaged by microtomography. Modeling procedures used the elastic properties of ice with bond fracture assumptions as inputs. The microstructure experiences combined tensile and compressive stresses in response to macroscopic tensile stress. The simulated nonlocalized failure of ice lattice bonds before or after reaching peak stress creates a pseudo-plastic yield curve. This explains the occurrence of acoustic events observed in advance of global failure. The measured and simulated average tensile strengths differed by 35%, a typical range for strength measurements in snow given its low Weibull modulus. The simulation successfully explains damage, fracture nucleation, and strength according to the geometry of the microstructure of snow and the mechanical properties of ice. This novel method can be applied to more complex snow structures including the weak layers that cause avalanches.

Extragalactic Astrophysics

NASA Astrophysics Data System (ADS)

Webb, James R.

2016-09-01

This book is intended to be a course about the creation and evolution of the universe at large, including the basic macroscopic building blocks (galaxies) and the overall large-scale structure. This text covers a broad range of topics for a graduate-level class in a physics department where students' available credit hours for astrophysics classes are limited. The sections cover galactic structure, external galaxies, galaxy clustering, active galaxies, general relativity and cosmology.

Crystal structure and mechanical strain in polycrystalline ferrite films on polycrystalline sapphire substrates

NASA Astrophysics Data System (ADS)

Bogdanovich, M. P.

1996-10-01

We have grown films of magnesium, lithium, zinc, and nickel-zinc ferrites, varying in thickness from 0.5 to 8 μm on polycrystalline sapphiresubstrates by coating the surface of the substrate with an aqueous nitric acid solution of salts of the elements which compose the ferrite. The lattice parameter of the ferrite film increases with the film thickness and becomes constant at thicknesses greater than 8 μm. We have determined the ratio of the theoretical strength limit to the macroscopic one in the film based on the change in the interplanar distance d 220 and the lattice parameter calculated from it, under the assumption that the change Δa(h)=a ∞=a(h) results from macroscopic stresses in the film. This ratio shows that when h=1 μm the microstresses in the film are an order of magnitude smaller than the theoretical strength limit. At larger film thicknesses this macroscopic stress becomes even lower, and at the external surface of thick films it goes completely to zero.

Fundamental and functional aspects of mesoscopic architectures with examples in physics, cell biology, and chemistry.

PubMed

Kalay, Ziya

2011-08-01

How small can a macroscopic object be made without losing its intended function? Obviously, the smallest possible size is determined by the size of an atom, but it is not so obvious how many atoms are required to assemble an object so small, and yet that performs the same function as its macroscopic counterpart. In this review, we are concerned with objects of intermediate nature, lying between the microscopic and the macroscopic world. In physics and chemistry literature, this regime in-between is often called mesoscopic, and is known to bear interesting and counterintuitive features. After a brief introduction to the concept of mesoscopic systems from the perspective of physics, we discuss the functional aspects of mesoscopic architectures in cell biology, and supramolecular chemistry through many examples from the literature. We argue that the biochemistry of the cell is largely regulated by mesoscopic functional architectures; however, the significance of mesoscopic phenomena seems to be quite underappreciated in biological sciences. With this motivation, one of our main purposes here is to emphasize the critical role that mesoscopic structures play in cell biology and biochemistry.

Using Denatured Egg White as a Macroscopic Model for Teaching Protein Structure and Introducing Protein Synthesis for High School Students

NASA Astrophysics Data System (ADS)

Correia, Paulo R. M.; Torres, Bayardo B.

2007-12-01

The success of teaching molecular and atomic phenomena depends on the didactical strategy and the media selection adopted, in consideration of the level of abstraction of the subject to be taught and the students' capability to deal with abstract operations. Dale's cone of experience was employed to plan three 50-minute classes to discuss protein denaturation from a chemical point of view. Only low abstraction level activities were selected: (i) two demonstrations showing the denaturation of albumin by heating and by changing the solvent, (ii) the assembly of a macroscopic model representing the protein molecule, and (iii) a role-play for simulating glucagon synthesis. A student-centered approach and collaborative learning were used throughout the classes. The use of macroscopic models is a powerful didactical strategy to represent molecular and atomic events. They can convert microscopic entities into touchable objects, reducing the abstraction level required to discuss chemistry with high school students. Thus, interesting topics involving molecules and their behavior can take place efficiently when mediated by concrete experiences.

Induction of novel macroscopic properties by local symmetry violations in spin-spiral multiferroics

NASA Astrophysics Data System (ADS)

Meier, D.; Leo, N.; Becker, P.; Bohaty, L.; Ramesh, R.; Fiebig, M.

2011-03-01

Incommensurate (IC) structures are omnipresent in strongly correlated electron systems as high-TC superconductors, CMR manganites, as well as multiferroics. In each case they are origin of a pronounced symmetry reduction reflecting the complexity of the underlying microscopic interactions. Macroscopically, this can lead to new phases and possibilities to gain control of the host material. Here we report how the IC nature of a spin-spiral multiferroic induces new physical properties by renormalizing the relevant length scales of the system. Local symmetry violations directly manifest in the macroscopic response of the material and co-determine the multiferroic order giving rise to additional domain states. These usually hidden degrees of freedom become visible when non-homogenous fields are applied and condition for instance the second harmonic generation. Our study shows that incommensurabilities play a vital role in the discussion of the physical properties of multiferroics -- they represent a key ingredient for further enhancing the functionality of this class of materials. This work was supported by the DFG through the SFB 608. D.M. thanks the AvH for financial support.

The behavior of a macroscopic granular material in vortex flow

NASA Astrophysics Data System (ADS)

Nishikawa, Asami

A granular material is defined as a collection of discrete particles such as powder and grain. Granular materials display a large number of complex behaviors. In this project, the behavior of macroscopic granular materials under tornado-like vortex airflow, with varying airflow velocity, was observed and studied. The experimental system was composed of a 9.20-cm inner diameter acrylic pipe with a metal mesh bottom holding the particles, a PVC duct, and an airflow source controlled by a variable auto-transformer, and a power-meter. A fixed fan blade was attached to the duct's inner wall to create a tornado-like vortex airflow from straight flow. As the airflow velocity was increased gradually, the behavior of a set of same-diameter granular materials was observed. The observed behaviors were classified into six phases based on the macroscopic mechanical dynamics. Through this project, we gained insights on the significant parameters for a computer simulation of a similar system by Heath Rice [5]. Comparing computationally and experimentally observed phase diagrams, we can see similar structure. The experimental observations showed the effect of initial arrangement of particles on the phase transitions.

Thermal conductivity and dielectric functions of alkali chloride XCl (X = Li, Na, K and Rb): a first-principles study

NASA Astrophysics Data System (ADS)

Xu, M.; Yang, J. Y.; Liu, L. H.

2016-07-01

The macroscopic physical properties of solids are fundamentally determined by the interactions among microscopic electrons, phonons and photons. In this work, the thermal conductivity and infrared-visible-ultraviolet dielectric functions of alkali chlorides and their temperature dependence are fully investigated at the atomic level, seeking to unveil the microscopic quantum interactions beneath the macroscopic properties. The microscopic phonon-phonon interaction dominates the thermal conductivity which can be investigated by the anharmonic lattice dynamics in combination with Peierls-Boltzmann transport equation. The photon-phonon and electron-photon interaction intrinsically induce the infrared and visible-ultraviolet dielectric functions, respectively, and such microscopic processes can be simulated by first-principles molecular dynamics without empirical parameters. The temperature influence on dielectric functions can be effectively included by choosing the thermally equilibrated configurations as the basic input to calculate the total dipole moment and electronic band structure. The overall agreement between first-principles simulations and literature experiments enables us to interpret the macroscopic thermal conductivity and dielectric functions of solids in a comprehensive way.

Transpressional deformation, strain partitioning and fold superimposition in the southern Chinese Altai, Central Asian Orogenic Belt

NASA Astrophysics Data System (ADS)

Li, Pengfei; Sun, Min; Rosenbaum, Gideon; Cai, Keda; Chen, Ming; He, Yulin

2016-06-01

Transpressional deformation has played an important role in the late Paleozoic evolution of the western Central Asian Orogenic Belt (CAOB), and understanding the structural evolution of such transpressional zones is crucial for tectonic reconstructions. Here we focus on the transpressional Irtysh Shear Zone with an aim at understanding amalgamation processes between the Chinese Altai and the West/East Junggar. We mapped macroscopic fold structures in the southern Chinese Altai and analyzed their relationships with the development of the adjacent Irtysh Shear Zone. Structural observations from these macroscopic folds show evidence for four generations of folding and associated fabrics. The earlier fabric (S1), is locally recognized in low strain areas, and is commonly isoclinally folded by F2 folds that have an axial plane orientation parallel to the dominant fabric (S2). S2 is associated with a shallowly plunging stretching lineation (L2), and defines ∼NW-SE tight-close upright macroscopic folds (F3) with the doubly plunging geometry. F3 folds are superimposed by ∼NNW-SSE gentle F4 folds. The F3 and F4 folds are kinematically compatible with sinistral transpressional deformation along the Irtysh Shear Zone and may represent strain partitioning during deformation. The sub-parallelism of F3 fold axis with the Irtysh Shear Zone may have resulted from strain partitioning associated with simple shear deformation along narrow mylonite zones and pure shear-dominant deformation (F3) in fold zones. The strain partitioning may have become less efficient in the later stage of transpressional deformation, so that a fraction of transcurrent components was partitioned into F4 folds.

Wettability of natural root mucilage studied by atomic force microscopy and contact angle: Links between nanoscale and macroscale surface properties

NASA Astrophysics Data System (ADS)

Kaltenbach, Robin; Diehl, Dörte; Schaumann, Gabriele E.

2017-04-01

Organic coatings are considered as main cause of soil water repellency (SWR). This phenomenon plays a crucial role in the rhizosphere, at the interface of plant water uptake and soil hydraulics. Still, there is little knowledge about the nanoscale properties of natural soil compounds such as root-mucilage and its mechanistic effect on wettability. In this study, dried films of natural root-mucilage from Sorghum (Sorghum sp., MOENCH) on glass substrates were studied in order to explore experimental and evaluation methods that allow to link between macroscopic wettability and nano-/microscopic surface properties in this model soil system. SWR was assessed by optical contact angle (CA) measurements. The nanostructure of topography and adhesion forces of the mucilage surfaces was revealed by atomic force microscopy (AFM) measurements in ambient air, using PeakForce Quantitative Nanomechanical Mapping (PFQNM). Undiluted mucilage formed hydrophobic films on the substrate with CA > 90° and rather homogeneous nanostructure. Contact angles showed reduced water repellency of surfaces, when concentration of mucilage was decreased by dilution. AFM height and adhesion images displayed incomplete mucilage surface coverage for diluted samples. Hole-like structures in the film frequently exhibited increased adhesion forces. Spatial analysis of the AFM data via variograms enabled a numerical description of such 'adhesion holes'. The use of geostatistical approaches in AFM studies of the complex surface structure of soil compounds was considered meaningful in view of the need of comprehensive analysis of large AFM image data sets that exceed the capability of comparative visual inspection. Furthermore, force curves measured with the AFM showed increased break-free distances and pull-off forces inside the observed 'adhesion holes', indicating enhanced capillary forces due to adsorbed water films at hydrophilic domains for ambient RH (40 ± 2 %). This offers the possibility of mapping the nanostructure of water layers on soil surfaces and assessing the consequences for wettability. The collected information on macroscopic wetting properties, nanoscale roughness and adhesion structure of the investigated surfaces in this study are discussed in view of the applicability of the mechanistic wetting models given by Wenzel and Cassie-Baxter.

16th International Conference on Nuclear Structure: NS2016

DOE PAGES

Galindo-Uribarri, Alfredo

2016-10-28

Every two years the Nuclear Structure (NS) conference series brings together researchers from an international community of experimental and theoretical nuclear physicists to present and discuss their latest results in nuclear structure. This biennial conference covered the latest results on experimental and theoretical research into the structure of nuclei at the extremes of isospin, excitation energy, mass, and angular momentum. Topics included many of the most exciting areas of modern nuclear structure research such as transitional behavior, nuclear structure and its evolution across the nuclear landscape, shell structure, collectivity, nuclear structure with radioactive beams, and macroscopic and microscopic approaches tomore » nuclear structure.« less

16th International Conference on Nuclear Structure: NS2016

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

Galindo-Uribarri, Alfredo

Every two years the Nuclear Structure (NS) conference series brings together researchers from an international community of experimental and theoretical nuclear physicists to present and discuss their latest results in nuclear structure. This biennial conference covered the latest results on experimental and theoretical research into the structure of nuclei at the extremes of isospin, excitation energy, mass, and angular momentum. Topics included many of the most exciting areas of modern nuclear structure research such as transitional behavior, nuclear structure and its evolution across the nuclear landscape, shell structure, collectivity, nuclear structure with radioactive beams, and macroscopic and microscopic approaches tomore » nuclear structure.« less

The Building Blocks of Materials: Gathering Knowledge at the Molecular Level

NASA Technical Reports Server (NTRS)

2003-01-01

Two start-up positions were created within SD46 to pursue developments in the rapidly expanding areas of biomineralization and nano-technology. As envisioned by Dr. Sandor Lehoczy, the new laboratories to be developed must have the capacity to investigate not only processes associated with the self-assembly of molecules but also the examination of self-assembled structures. For these purposes, laboratories capable of performing the intended function, particularly light scattering spectroscopy and atomic force microscopy were created. What follows then are recent advances arising from the development of these new laboratories. With the implementation of the Atomic Force Microscopy Facility, examples of investigations that determine a correlation between the molecular structure of materials and their macroscopic physical properties are provided. In addition, examples of investigations with particular emphasis on the physical properties of protein crystals, at the molecular level, and subsequent macroscopic characteristics are as provided. Finally, progress in fabrication of technology at the nano-scale levels at the developmental stage is also presented.

Effects of the soil pore network architecture on the soil's physical functionalities

NASA Astrophysics Data System (ADS)

Smet, Sarah; Beckers, Eléonore; Léonard, Angélique; Degré, Aurore

2017-04-01

The soil fluid movement's prediction is of major interest within an agricultural or environmental scope because many processes depend ultimately on the soil fluids dynamic. It is common knowledge that the soil microscopic pore network structure governs the inner-soil convective fluids flow. There isn't, however, a general methodthat consider the pore network structure as a variable in the prediction of thecore scale soil's physical functionalities. There are various possible representations of the microscopic pore network: sample scale averaged structural parameters, extrapolation of theoretic pore network, or use of all the information available by modeling within the observed pore network. Different representations implydifferent analyzing methodologies. To our knowledge, few studies have compared the micro-and macroscopic soil's characteristics for the same soil core sample. The objective of our study is to explore the relationship between macroscopic physical properties and microscopic pore network structure. The saturated hydraulic conductivity, the air permeability, the retention curve, and others classical physical parameters were measured for ten soil samples from an agricultural field. The pore network characteristics were quantified through the analyses of X-ray micro-computed tomographic images(micro-CT system Skyscan-1172) with a voxel size of 22 µm3. Some of the first results confirmed what others studies had reported. Then, the comparison between macroscopic properties and microscopic parameters suggested that the air movements depended mostly on the pore connectivity and tortuosity than on the total porosity volume. We have also found that the fractal dimension calculated from the X-ray images and the fractal dimension calculated from the retention curve were significantly different. Our communication will detailthose results and discuss the methodology: would the results be similar with a different voxel size? What are the calculated and measured parameters uncertainties? Sarah Smet, as a research fellow, acknowledges the support of the National Fund for Scientific Research (Brussels, Belgium).

Protein enriched pasta: structure and digestibility of its protein network.

PubMed

Laleg, Karima; Barron, Cécile; Santé-Lhoutellier, Véronique; Walrand, Stéphane; Micard, Valérie

2016-02-01

Wheat (W) pasta was enriched in 6% gluten (G), 35% faba (F) or 5% egg (E) to increase its protein content (13% to 17%). The impact of the enrichment on the multiscale structure of the pasta and on in vitro protein digestibility was studied. Increasing the protein content (W- vs. G-pasta) strengthened pasta structure at molecular and macroscopic scales but reduced its protein digestibility by 3% by forming a higher covalently linked protein network. Greater changes in the macroscopic and molecular structure of the pasta were obtained by varying the nature of protein used for enrichment. Proteins in G- and E-pasta were highly covalently linked (28-32%) resulting in a strong pasta structure. Conversely, F-protein (98% SDS-soluble) altered the pasta structure by diluting gluten and formed a weak protein network (18% covalent link). As a result, protein digestibility in F-pasta was significantly higher (46%) than in E- (44%) and G-pasta (39%). The effect of low (55 °C, LT) vs. very high temperature (90 °C, VHT) drying on the protein network structure and digestibility was shown to cause greater molecular changes than pasta formulation. Whatever the pasta, a general strengthening of its structure, a 33% to 47% increase in covalently linked proteins and a higher β-sheet structure were observed. However, these structural differences were evened out after the pasta was cooked, resulting in identical protein digestibility in LT and VHT pasta. Even after VHT drying, F-pasta had the best amino acid profile with the highest protein digestibility, proof of its nutritional interest.

Nonlinear probabilistic finite element models of laminated composite shells

NASA Technical Reports Server (NTRS)

Engelstad, S. P.; Reddy, J. N.

1993-01-01

A probabilistic finite element analysis procedure for laminated composite shells has been developed. A total Lagrangian finite element formulation, employing a degenerated 3-D laminated composite shell with the full Green-Lagrange strains and first-order shear deformable kinematics, forms the modeling foundation. The first-order second-moment technique for probabilistic finite element analysis of random fields is employed and results are presented in the form of mean and variance of the structural response. The effects of material nonlinearity are included through the use of a rate-independent anisotropic plasticity formulation with the macroscopic point of view. Both ply-level and micromechanics-level random variables can be selected, the latter by means of the Aboudi micromechanics model. A number of sample problems are solved to verify the accuracy of the procedures developed and to quantify the variability of certain material type/structure combinations. Experimental data is compared in many cases, and the Monte Carlo simulation method is used to check the probabilistic results. In general, the procedure is quite effective in modeling the mean and variance response of the linear and nonlinear behavior of laminated composite shells.

Multi-methodological investigation of the variability of the microstructure of HPMC hard capsules.

PubMed

Faulhammer, E; Kovalcik, A; Wahl, V; Markl, D; Stelzer, F; Lawrence, S; Khinast, J G; Paudel, A

2016-09-25

The objective of this study was to analyze differences in the subtle microstructure of three different grades of HMPC hard capsule shells using mechanical, spectroscopic, microscopic and tomographic approaches. Dynamic mechanical analysis (DMA), thermogravimetric analysis (TGA), vibrational spectroscopic, X-Ray scattering techniques as well as environmental scanning electron microscopy (ESEM) and optical coherence tomography (OCT) were used. Two HPMC capsules manufactured via chemical gelling, one capsule shell manufactured via thermal gelling and one thermally gelled transparent capsule were included. Characteristic micro-structural alterations (associated manufacturing processes) such as mechanical and physical properties relevant to capsule performance and processability were thoroughly elucidated with the integration of data obtained from multi-methodological investigations. The physico-chemical and physico-mechanical data obtained from a gamut of techniques implied that thermally gelled HPMC hard capsule shells could offer an advantage in terms of machinability during capsule filling, owing to their superior micro- and macroscopic structure as well as specifically the mechanical stability under dry or humid conditions. Copyright © 2016 Elsevier B.V. All rights reserved.

Experimental and numerical analysis of pre-compressed masonry walls in two-way-bending with second order effects

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

Milani, Gabriele, E-mail: milani@stru.polimi.it; Olivito, Renato S.; Tralli, Antonio

2014-10-06

The buckling behavior of slender unreinforced masonry (URM) walls subjected to axial compression and out-of-plane lateral loads is investigated through a combined experimental and numerical homogenizedapproach. After a preliminary analysis performed on a unit cell meshed by means of elastic FEs and non-linear interfaces, macroscopic moment-curvature diagrams so obtained are implemented at a structural level, discretizing masonry by means of rigid triangular elements and non-linear interfaces. The non-linear incremental response of the structure is accounted for a specific quadratic programming routine. In parallel, a wide experimental campaign is conducted on walls in two way bending, with the double aim ofmore » both validating the numerical model and investigating the behavior of walls that may not be reduced to simple cantilevers or simply supported beams. Panels investigated are dry-joint in scale square walls simply supported at the base and on a vertical edge, exhibiting the classical Rondelet’s mechanism. The results obtained are compared with those provided by the numerical model.« less

Computational study of sheath structure in oxygen containing plasmas at medium pressures

NASA Astrophysics Data System (ADS)

Hrach, Rudolf; Novak, Stanislav; Ibehej, Tomas; Hrachova, Vera

2016-09-01

Plasma mixtures containing active species are used in many plasma-assisted material treatment technologies. The analysis of such systems is rather difficult, as both physical and chemical processes affect plasma properties. A combination of experimental and computational approaches is the best suited, especially at higher pressures and/or in chemically active plasmas. The first part of our study of argon-oxygen mixtures was based on experimental results obtained in the positive column of DC glow discharge. The plasma was analysed by the macroscopic kinetic approach which is based on the set of chemical reactions in the discharge. The result of this model is a time evolution of the number densities of each species. In the second part of contribution the detailed analysis of processes taking place during the interaction of oxygen containing plasma with immersed substrates was performed, the results of the first model being the input parameters. The used method was the particle simulation technique applied to multicomponent plasma. The sheath structure and fluxes of charged particles to substrates were analysed in the dependence on plasma pressure, plasma composition and surface geometry.

Focus: Structure and dynamics of the interfacial layer in polymer nanocomposites with attractive interactions

DOE PAGES

Cheng, Shiwang; Carroll, Bobby; Bocharova, Vera; ...

2017-03-30

In recent years it has become clear that the interfacial layer formed around nanoparticles in polymer nanocomposites (PNCs) is critical for controlling their macroscopic properties. The interfacial layer occupies a significant volume fraction of the polymer matrix in PNCs and creates strong intrinsic heterogeneity in their structure and dynamics. In this paper, we focus on analysis of the structure and dynamics of the interfacial region in model PNCs with well-dispersed, spherical nanoparticles with attractive interactions. First, we discuss several experimental techniques that provide structural and dynamic information on the interfacial region in PNCs. Then, we discuss the role of variousmore » microscopic parameters in controlling structure and dynamics of the interfacial layer. The analysis presented emphasizes the importance of the polymer-nanoparticle interactions for the slowing down dynamics in the interfacial region, while the thickness of the interfacial layer appears to be dependent on chain rigidity, and has been shown to increase with cooling upon approaching the glass transition. Aside from chain rigidity and polymer-nanoparticle interactions, the interfacial layer properties are also affected by the molecular weight of the polymer and the size of the nanoparticles. Finally, in the last part of this focus article, we emphasize the important challenges in the field of polymer nanocomposites and a potential analogy with the behavior observed in thin films.« less

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.

An artificial muscle model unit based on inorganic nanosheet sliding by photochemical reaction.

PubMed

Nabetani, Yu; Takamura, Hazuki; Hayasaka, Yuika; Sasamoto, Shin; Tanamura, Yoshihiko; Shimada, Tetsuya; Masui, Dai; Takagi, Shinsuke; Tachibana, Hiroshi; Tong, Zhiwei; Inoue, Haruo

2013-04-21

From the viewpoint of developing photoresponsive supramolecular systems in microenvironments to exhibit more sophisticated photo-functions even at the macroscopic level, inorganic/organic hybrid compounds based on clay or niobate nanosheets as the microenvironments were prepared, characterized, and examined for their photoreactions. We show here a novel type of artificial muscle model unit having much similarity with that in natural muscle fibrils. Upon photoirradiation, the organic/inorganic hybrid nanosheets reversibly slide horizontally on a giant scale, and the interlayer spaces in the layered hybrid structure shrink and expand vertically. In particular, our layered hybrid molecular system exhibits a macroscopic morphological change on a giant scale (~1500 nm) compared with the molecular size of ~1 nm, based on a reversible sliding mechanism.

Early stage of plastic deformation in thin films undergoing electromigration

NASA Astrophysics Data System (ADS)

Valek, B. C.; Tamura, N.; Spolenak, R.; Caldwell, W. A.; MacDowell, A. A.; Celestre, R. S.; Padmore, H. A.; Bravman, J. C.; Batterman, B. W.; Nix, W. D.; Patel, J. R.

2003-09-01

Electromigration occurs when a high current density drives atomic motion from the cathode to the anode end of a conductor, such as a metal interconnect line in an integrated circuit. While electromigration eventually causes macroscopic damage, in the form of voids and hillocks, the earliest stage of the process when the stress in individual micron-sized grains is still building up is largely unexplored. Using synchrotron-based x-ray microdiffraction during an in-situ electromigration experiment, we have discovered an early prefailure mode of plastic deformation involving preferential dislocation generation and motion and the formation of a subgrain structure within individual grains of a passivated Al (Cu) interconnect. This behavior occurs long before macroscopic damage (hillocks and voids) is observed.

Cross-field transport by instabilities and blobs in a magnetized toroidal plasma.

PubMed

Podestà, M; Fasoli, A; Labit, B; Furno, I; Ricci, P; Poli, F M; Diallo, A; Müller, S H; Theiler, C

2008-07-25

The mechanisms for anomalous transport across the magnetic field are investigated in a toroidal magnetized plasma. The role of plasma instabilities and macroscopic density structures (blobs) is discussed. Examples from a scenario with open magnetic field lines are shown. A transition from a main plasma region into a loss region is reproduced. In the main plasma, which includes particle and heat source locations, the transport is dominated by the fluctuation-induced particle and heat flux associated with a plasma instability. On the low-field side, the cross-field transport is ascribed to the intermittent ejection of macroscopic blobs propagating toward the outer wall. It is shown that instabilities and blobs represent fundamentally different mechanisms for cross-field transport.

Kinetic model of turbulence in an incompressible fluid

NASA Technical Reports Server (NTRS)

Tchen, C. M.

1978-01-01

A statistical description of turbulence in an incompressible fluid obeying the Navier-Stokes equations is proposed, where pressure is regarded as a potential for the interaction between fluid elements. A scaling procedure divides a fluctuation into three ranks representing the three transport processes of macroscopic evolution, transport property, and relaxation. Closure is obtained by relaxation, and a kinetic equation is obtained for the fluctuation of the macroscopic rank of the distribution function. The solution gives the transfer function and eddy viscosity. When applied to the inertia subrange of the energy spectrum the analysis recovers the Kolmogorov law and its numerical coefficient.

Macroscopic quantum states: Measures, fragility, and implementations

NASA Astrophysics Data System (ADS)

Fröwis, Florian; Sekatski, Pavel; Dür, Wolfgang; Gisin, Nicolas; Sangouard, Nicolas

2018-04-01

Large-scale quantum effects have always played an important role in the foundations of quantum theory. With recent experimental progress and the aspiration for quantum enhanced applications, the interest in macroscopic quantum effects has been reinforced. In this review, measures aiming to quantify various aspects of macroscopic quantumness are critically analyzed and discussed. Recent results on the difficulties and prospects to create, maintain, and detect macroscopic quantum states are surveyed. The role of macroscopic quantum states in foundational questions as well as practical applications is outlined. Finally, past and ongoing experimental advances aiming to generate and observe macroscopic quantum states are presented.

Ferroic Crystals for Electro-Optic and Acousto-Optic Applications.

DTIC Science & Technology

properties for potential application in acousto - optic devices; and, (2) A systematic examination of the role of domain structures in modifying the...macroscopic properties of all types of ferroic crystals and the manner in which these property modifications could be exploited in acousto - optic , electro

Silver-cotton nanocomposites: nano-design of microfibrillar structure causes morphological changes and increased tenacity

USDA-ARS?s Scientific Manuscript database

The interactions of nanoparticles with polymer hosts have important implications for directing the macroscopic properties of composite fibers, yet little is known about such interactions with hierarchically ordered natural polymers due to the difficulty of achieving uniform dispersion of nanoparticl...

A perspective on the interfacial properties of nanoscopic liquid drops.

PubMed

Malijevský, Alexandr; Jackson, George

2012-11-21

The structural and interfacial properties of nanoscopic liquid drops are assessed by means of mechanical, thermodynamical, and statistical mechanical approaches that are discussed in detail, including original developments at both the macroscopic level and the microscopic level of density functional theory (DFT). With a novel analysis we show that a purely macroscopic (static) mechanical treatment can lead to a qualitatively reasonable description of the surface tension and the Tolman length of a liquid drop; the latter parameter, which characterizes the curvature dependence of the tension, is found to be negative and has a magnitude of about a half of the molecular dimension. A mechanical slant cannot, however, be considered satisfactory for small finite-size systems where fluctuation effects are significant. From the opposite perspective, a curvature expansion of the macroscopic thermodynamic properties (density and chemical potential) is then used to demonstrate that a purely thermodynamic approach of this type cannot in itself correctly account for the curvature correction of the surface tension of liquid drops. We emphasize that any approach, e.g., classical nucleation theory, which is based on a purely macroscopic viewpoint, does not lead to a reliable representation when the radius of the drop becomes microscopic. The description of the enhanced inhomogeneity exhibited by small drops (particularly in the dense interior) necessitates a treatment at the molecular level to account for finite-size and surface effects correctly. The so-called mechanical route, which corresponds to a molecular-level extension of the macroscopic theory of elasticity and is particularly popular in molecular dynamics simulation, also appears to be unreliable due to the inherent ambiguity in the definition of the microscopic pressure tensor, an observation which has been known for decades but is frequently ignored. The union of the theory of capillarity (developed in the nineteenth century by Gibbs and then promoted by Tolman) with a microscopic DFT treatment allows for a direct and unambiguous description of the interfacial properties of drops of arbitrary size; DFT provides all of the bulk and surface characteristics of the system that are required to uniquely define its thermodynamic properties. In this vein, we propose a non-local mean-field DFT for Lennard-Jones (LJ) fluids to examine drops of varying size. A comparison of the predictions of our DFT with recent simulation data based on a second-order fluctuation analysis (Sampayo et al 2010 J. Chem. Phys. 132 141101) reveals the consistency of the two treatments. This observation highlights the significance of fluctuation effects in small drops, which give rise to additional entropic (thermal non-mechanical) contributions, in contrast to what one observes in the case of planar interfaces which are governed by the laws of mechanical equilibrium. A small negative Tolman length (which is found to be about a tenth of the molecular diameter) and a non-monotonic behaviour of the surface tension with the drop radius are predicted for the LJ fluid. Finally, the limits of the validity of the Tolman approach, the effect of the range of the intermolecular potential, and the behaviour of bubbles are briefly discussed.

Chronic alcoholism and bone remodeling processes: Caveats and considerations for the forensic anthropologist.

PubMed

Michael, Amy R; Bengtson, Jennifer D

2016-02-01

Clinical literature provides substantial information on the effects of chronic alcohol abuse on bone remodeling and related skeletal disease processes. This biomedical information is seldom considered in detail by forensic anthropologists, who often rely on normative macroscopic models of bone remodeling and traditional macroscopic age estimation methods in the creation of biological profiles. The case study presented here considers the ways that alcoholism disrupts normal bone remodeling processes, thus skewing estimations of age-at-death. Alcoholism affects bone macroscopically, resulting in a porous appearance and an older estimation of age, while simultaneously inhibiting osteoblastic activity and resulting in a younger microscopic appearance. Forensic anthropologists must also be cognizant of pathological remodeling stemming from alcoholism in cases where trauma analysis is critical to the reconstruction of events leading up to death, as fracture healing rates can be affected. Beyond the case study, we also consider how forensic anthropologists and practitioners can recognize and account for osteological signatures of alcoholism in medico-legal contexts. In order to best estimate age at death, a combined macroscopic and microscopic approach should be employed whenever possible alcohol and drug abuse is known or suspected. Copyright © 2015 Elsevier Ltd and Faculty of Forensic and Legal Medicine. All rights reserved.

Statistical mechanics of monatomic liquids

NASA Astrophysics Data System (ADS)

Wallace, Duane C.

1997-10-01

Two key experimental properties of elemental liquids, together with an analysis of the condensed-system potential-energy surface, lead us logically to the dynamical theory of monatomic liquids. Experimentally, the ion motional specific heat is approximately 3Nk for N ions, implying the normal modes of motion are approximately 3N independent harmonic oscillators. This implies the potential surface contains nearly harmonic valleys. The equilibrium configuration at the bottom of each valley is a ``structure.'' Structures are crystalline or amorphous, and amorphous structures can have a remnant of local crystal symmetry, or can be random. The random structures are by far the most numerous, and hence dominate the statistical mechanics of the liquid state, and their macroscopic properties are uniform over the structure class, for large-N systems. The Hamiltonian for any structural valley is the static structure potential, a sum of harmonic normal modes, and an anharmonic correction. Again from experiment, the constant-density entropy of melting contains a universal disordering contribution of NkΔ, suggesting the random structural valleys are of universal number wN, where lnw=Δ. Our experimental estimate for Δ is 0.80. In quasiharmonic approximation, the liquid theory for entropy agrees with experiment, for all currently analyzable experimental data at elevated temperatures, to within 1-2% of the total entropy. Further testable predictions of the theory are mentioned.

Enzyme-catalyzed synthesis of poly[(R)-(-)-3-hydroxybutyrate]: Formation of macroscopic granules in vitro

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

Gerngross, T.U.; Martin, D.P.

A combined chemical and enzymatic procedure has been developed to synthesize macroscopic poly[(R)-(-)-3-hydroxybutyrate] (PHB) granules in vitro. The granules form in a matter of minutes when purified polyhydroxyalkanoate (PHA) synthase from Alcaligenes eutrophus is exposed to synthetically prepared (R)-3-hydroxybutyryl coenzyme A, thereby establishing the minimal requirements for PHB granule formation. The artificial granules are spherical with diameters of up to 3 {mu}m and significantly larger than their native counterparts (0.5 {mu}m). The isolated PHB was characterized by {sup 1}H and {sup 13}C NMR, gel-permeation chromatography, and chemical analysis. The in vitro polymerization system yields PHB with a molecular mass >more » 10 x 10{sup 6} Da, exceeding by an order of magnitude the mass of PHAs typically extracted from microorganisms. We also demonstrate that the molecular mass of the polymer can be controlled by the initial PHA synthase concentration. Preliminary kinetic analysis of de novo granule formation confirms earlier findings of a lag time for the enzyme but suggests the involvement of an additional granule assembly step. Minimal requirements for substrate recognition were investigated. Since substrate analogs lacking the adenosine 3{prime}, 5{prime}-bisphosphate moiety of (R)-3-hydroxybutyryl coenzyme A were not accepted by the PHA synthase, we provide evidence that this structural element of the substrate is essential for catalysis. PHAs provide a range of natural, renewable, biodegradable thermoplastics with a broad range of useful material properties. 33 refs., 6 figs., 1 tab.« less

Object-oriented sociology and organizing in the face of emergency: Bruno Latour, Graham Harman and the material turn.

PubMed

Pierides, Dean; Woodman, Dan

2012-12-01

This paper explores the material turn in sociology and the tools it provides for understanding organizational problems highlighted by the Royal Commission into the 2009 'Black Saturday' bushfires during which 173 people died in the Australian State of Victoria. Often inspired by Bruno Latour's material-semiotic sociology of associations, organization scholars employing these tools focus on the messy details of organization otherwise overlooked by approaches assuming a macroscopic frame of analysis. In Latour's approach no object is reducible to something else - such as nature, the social, or atoms - it is instead a stabilized set of relations. A Latourian approach allows us to highlight how the Royal Commission and macroscopic models of organizing do unwitting damage to their objects of inquiry by purifying the 'natural' from the 'social'. Performative elements in their schemas are mistaken for descriptive ones. However, a long standing critique of this approach claims that it becomes its own form of reduction, to nothing but relations. Graham Harman, in his object-oriented philosophy develops this critique by showing that a 'relationist' metaphysics cannot properly accommodate the capacity of 'objects' to cause or mediate surprises. Through our case of the Victorian Bushfires Royal Commission, we argue that a purely relational model of objects loosens a productive tension between the structural and ephemeral that drives sociological analysis. By drawing on elements of Harman's ontology of objects we argue that it is necessary for material-semiotic sociology to retain a central place for the emergence of sociological objects. © London School of Economics and Political Science 2012.

Consistent second-order boundary implementations for convection-diffusion lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Zhang, Liangqi; Yang, Shiliang; Zeng, Zhong; Chew, Jia Wei

2018-02-01

In this study, an alternative second-order boundary scheme is proposed under the framework of the convection-diffusion lattice Boltzmann (LB) method for both straight and curved geometries. With the proposed scheme, boundary implementations are developed for the Dirichlet, Neumann and linear Robin conditions in a consistent way. The Chapman-Enskog analysis and the Hermite polynomial expansion technique are first applied to derive the explicit expression for the general distribution function with second-order accuracy. Then, the macroscopic variables involved in the expression for the distribution function is determined by the prescribed macroscopic constraints and the known distribution functions after streaming [see the paragraph after Eq. (29) for the discussions of the "streaming step" in LB method]. After that, the unknown distribution functions are obtained from the derived macroscopic information at the boundary nodes. For straight boundaries, boundary nodes are directly placed at the physical boundary surface, and the present scheme is applied directly. When extending the present scheme to curved geometries, a local curvilinear coordinate system and first-order Taylor expansion are introduced to relate the macroscopic variables at the boundary nodes to the physical constraints at the curved boundary surface. In essence, the unknown distribution functions at the boundary node are derived from the known distribution functions at the same node in accordance with the macroscopic boundary conditions at the surface. Therefore, the advantages of the present boundary implementations are (i) the locality, i.e., no information from neighboring fluid nodes is required; (ii) the consistency, i.e., the physical boundary constraints are directly applied when determining the macroscopic variables at the boundary nodes, thus the three kinds of conditions are realized in a consistent way. It should be noted that the present focus is on two-dimensional cases, and theoretical derivations as well as the numerical validations are performed in the framework of the two-dimensional five-velocity lattice model.

Spatial network surrogates for disentangling complex system structure from spatial embedding of nodes

NASA Astrophysics Data System (ADS)

Wiedermann, Marc; Donges, Jonathan F.; Kurths, Jürgen; Donner, Reik V.

2016-04-01

Networks with nodes embedded in a metric space have gained increasing interest in recent years. The effects of spatial embedding on the networks' structural characteristics, however, are rarely taken into account when studying their macroscopic properties. Here, we propose a hierarchy of null models to generate random surrogates from a given spatially embedded network that can preserve certain global and local statistics associated with the nodes' embedding in a metric space. Comparing the original network's and the resulting surrogates' global characteristics allows one to quantify to what extent these characteristics are already predetermined by the spatial embedding of the nodes and links. We apply our framework to various real-world spatial networks and show that the proposed models capture macroscopic properties of the networks under study much better than standard random network models that do not account for the nodes' spatial embedding. Depending on the actual performance of the proposed null models, the networks are categorized into different classes. Since many real-world complex networks are in fact spatial networks, the proposed approach is relevant for disentangling the underlying complex system structure from spatial embedding of nodes in many fields, ranging from social systems over infrastructure and neurophysiology to climatology.

The origin and structure of streak-like instabilities in laminar boundary layer flames

NASA Astrophysics Data System (ADS)

Gollner, Michael; Miller, Colin; Tang, Wei; Finney, Mark

2017-11-01

Streamwise streaks are consistently observed in wildland fires, at the base of pool fires, and in other heated flows within a boundary layer. This study examines both the origin of these structures and their role in influencing some of the macroscopic properties of the flow. Streaks were reproduced and characterized via experiments on stationary heated strips and liquid and gas-fueled burners in laminar boundary layer flows, providing a framework to develop theory based on both observed and measured physical phenomena. The incoming boundary layer was established as the controlling mechanism in forming streaks, which are generated by pre-existing coherent structures, while the amplification of streaks was determined to be compatible with quadratic growth of Rayleigh-Taylor Instabilities, providing credence to the idea that the downstream growth of streaks is strongly tied to buoyancy. These local instabilities were also found to affect macroscopic properties of the flow, including heat transfer to the surface, indicating that a two-dimensional assumption may fail to adequately describe heat and mass transfer during flame spread and other reacting boundary layer flows. This work was supported by NSF (CBET-1554026) and the USDA-FS (13-CS-11221637-124).

Comprehensive analysis of translational osteochondral repair: Focus on the histological assessment.

PubMed

Orth, Patrick; Peifer, Carolin; Goebel, Lars; Cucchiarini, Magali; Madry, Henning

2015-10-01

Articular cartilage guarantees for an optimal functioning of diarthrodial joints by providing a gliding surface for smooth articulation, weight distribution, and shock absorbing while the subchondral bone plays a crucial role in its biomechanical and nutritive support. Both tissues together form the osteochondral unit. The structural assessment of the osteochondral unit is now considered the key standard procedure for evaluating articular cartilage repair in translational animal models. The aim of this review is to give a detailed overview of the different methods for a comprehensive evaluation of osteochondral repair. The main focus is on the histological assessment as the gold standard, together with immunohistochemistry, and polarized light microscopy. Additionally, standards of macroscopic, non-destructive imaging such as high resolution MRI and micro-CT, biochemical, and molecular biological evaluations are addressed. Potential pitfalls of analysis are outlined. A second focus is to suggest recommendations for osteochondral evaluation. Copyright © 2015 Elsevier GmbH. All rights reserved.

Flow turbulence topology in regular porous media: From macroscopic to microscopic scale with direct numerical simulation

NASA Astrophysics Data System (ADS)

Chu, Xu; Weigand, Bernhard; Vaikuntanathan, Visakh

2018-06-01

Microscopic analysis of turbulence topology in a regular porous medium is presented with a series of direct numerical simulation. The regular porous media are comprised of square cylinders in a staggered array. Triply periodic boundary conditions enable efficient investigations in a representative elementary volume. Three flow patterns—channel with sudden contraction, impinging surface, and wake—are observed and studied quantitatively in contrast to the qualitative experimental studies reported in the literature. Among these, shear layers in the channel show the highest turbulence intensity due to a favorable pressure gradient and shed due to an adverse pressure gradient downstream. The turbulent energy budget indicates a strong production rate after the flow contraction and a strong dissipation on both shear and impinging walls. Energy spectra and pre-multiplied spectra detect large scale energetic structures in the shear layer and a breakup of scales in the impinging layer. However, these large scale structures break into less energetic small structures at high Reynolds number conditions. This suggests an absence of coherent structures in densely packed porous media at high Reynolds numbers. Anisotropy analysis with a barycentric map shows that the turbulence in porous media is highly isotropic in the macro-scale, which is not the case in the micro-scale. In the end, proper orthogonal decomposition is employed to distinguish the energy-conserving structures. The results support the pore scale prevalence hypothesis. However, energetic coherent structures are observed in the case with sparsely packed porous media.

Nano-functionalized filamentous fungus hyphae with fast reversible macroscopic assembly & disassembly features.

PubMed

Wang, Haiying; Li, Xiaorui; Chai, Liyuan; Zhang, Liyuan

2015-05-18

A uniform decoration of hyphae by polyaniline nanoparticles (PANI NPs) was achieved here. This novel hybrid structure can be effectively assembled into a film by filtration and disassembled in water by shaking. This reversible process is very fast, which promises applications in nanomaterials including adsorption.

SORPTION OF LEAD ON A RUTHENIUM COMPOUND: A MACROSCOPIC AND MICROSCOPIC STUDY

EPA Science Inventory

The objective of this study was to elucidate the sorption mechanism of Pb on the high-affinity ruthenium compound with time at pH 6 employing batch methods and X-ray absorption fine structure (XAFS) and X-ray diffraction (XRD) spectroscopies. For the spectroscopic studies, Pb so...

Development of lower Triassic wrinkle structures: implications for the search for life on other planets.

PubMed

Mata, Scott A; Bottjer, David J

2009-11-01

Wrinkle structures are microbially mediated sedimentary structures that are a common feature of Proterozoic and earliest Phanerozoic siliciclastic seafloors on Earth and occur only rarely in post-Cambrian strata. These macroscopic microbially induced sedimentary structures are readily identifiable at the outcrop scale, and their recognition on other planetary bodies by landed missions may suggest the presence of past microbial life. Wrinkle structures of the Lower Triassic (Spathian) Virgin Limestone Member of the Moenkopi Formation in the western United States record an occurrence of widespread microbialite formation in the wake of the end-Permian mass extinction, the largest biotic crisis of the Phanerozoic. Wrinkle structures occur on proximal sandy tempestites deposited within the offshore transition. Storm layers appear to have been rapidly colonized by microbial mats and were subsequently buried by mud during fair-weather conditions. Wrinkle structures exhibit flat-topped crests and sinuous troughs, with associated mica grains oriented parallel to bedding, suggestive of trapping and binding activity. Although Lower Triassic wrinkle structures postdate the widespread occurrence of these features during the Proterozoic and Cambrian, they exhibit many of the same characteristics and environmental trends, which suggests a conservation of microbial formational and preservational processes in subtidal siliciclastic settings on Earth from the Precambrian into the Phanerozoic. In the search for extraterrestrial life, it may be these conservative characteristics that prove to be the most useful and robust for recognizing microbial features on other planetary bodies, and may add to an ever-growing foundation of knowledge for directing future explorations aimed at seeking out macroscopic microbial signatures.

Macroscopic X-ray Powder Diffraction Scanning: Possibilities for Quantitative and Depth-Selective Parchment Analysis.

PubMed

Vanmeert, Frederik; De Nolf, Wout; Dik, Joris; Janssens, Koen

2018-06-05

At or below the surface of painted works of art, valuable information is present that provides insights into an object's past, such as the artist's technique and the creative process that was followed or its conservation history but also on its current state of preservation. Various noninvasive techniques have been developed over the past 2 decades that can probe this information either locally (via point analysis) or on a macroscopic scale (e.g., full-field imaging and raster scanning). Recently macroscopic X-ray powder diffraction (MA-XRPD) mapping using laboratory X-ray sources was developed. This method can visualize highly specific chemical distributions at the macroscale (dm 2 ). In this work we demonstrate the synergy between the quantitative aspects of powder diffraction and the noninvasive scanning capability of MA-XRPD highlighting the potential of the method to reveal new types of information. Quantitative data derived from a 15th/16th century illuminated sheet of parchment revealed three lead white pigments with different hydrocerussite-cerussite compositions in specific pictorial elements, while quantification analysis of impurities in the blue azurite pigment revealed two distinct azurite types: one rich in barite and one in quartz. Furthermore, on the same artifact, the depth-selective possibilities of the method that stem from an exploitation of the shift of the measured diffraction peaks with respect to reference data are highlighted. The influence of different experimental parameters on the depth-selective analysis results is briefly discussed. Promising stratigraphic information could be obtained, even though the analysis is hampered by not completely understood variations in the unit cell dimensions of the crystalline pigment phases.

Microscopic, Macroscopic, and Megascopic Melts: a simple model to synthesize simulation, spectroscopy, shock, and sink/float constraints on silicate melts and magma oceans

NASA Astrophysics Data System (ADS)

Asimow, P. D.; Thomas, C.; Wolf, A. S.

2012-12-01

Silicate melts are the essential agents of planetary differentiation and evolution. Their phase relations, element partitioning preferences, density, and transport properties determine the fates of heat and mass flow in the high-temperature interior of active planets. In the early Earth and in extrasolar super-Earth-mass terrestrial planets it is these properties at very high pressure (> 100 GPa) that control the evolution from possible magma oceans to solid-state convecting mantles. Yet these melts are complex, dynamic materials that present many challenges to experimental, theoretical, and computational understanding or prediction of their properties. There has been encouraging convergence among various approaches to understanding the structure and dynamics of silicate melts at multiple scales: nearest- and next-nearest neighbor structural information is derived from spectroscopic techniques such as high-resolution multinuclear NMR; first-principles molecular dynamics probe structure and dynamics at scales up to hundreds of atoms; Archimedean, ultrasonic, sink/float, and shock wave methods probe macroscopic properties (and occasionally dynamics); and deformation and diffusion experiments probe dynamics at macroscopic scale and various time scales. One challenge that remains to integrating all this information is a predictive model of silicate liquid structure that agrees with experiments and simulation both at microscopic and macroscopic scale. In addition to our efforts to collect macroscopic equation of state data using shock wave methods across ever-wider ranges of temperature, pressure, and composition space, we have introduced a simple model of coordination statistics around cations that can form the basis of a conceptual and predictive link across scales and methods. This idea is explored in this presentation specifically with regard to the temperature dependence of sound speed in ultramafic liquids. This is a highly uncertain quantity and yet it is key, in many models, to extrapolating the equation of state up or down temperature to geophysically relevant conditions. Ultrasonic data on felsic to basaltic melts, across a fairly narrow temperature range from their liquidi to ≤1650 °C, suggest either no temperature dependence or sound speeds that increase with temperature. Simulations, conducted at much higher temperature to obtain relaxation, suggest a strong decrease in sound speed with temperature. Our shock wave data on Mg2SiO4 liquid at 2000 °C yield a sound speed significantly lower than that predicted from data on less mafic liquids collected at lower temperatures where Mg2SiO4 liquid is not stable. The same shock method applied to melt compositions that are stable at 1300-1550 °C, however, yields sound speeds comparable to the ultrasonic results. Although each of these methods has its shortcomings, we show that considerable insight can be obtained in the context of a predictive model of Mg2+ and Si4+ coordination statistics as functions of temperature and pressure. We suggest that this can explain the difference between results obtained at ordinary upper mantle magmatic temperatures and those expected for magma oceans.

Structural Efficiency of Percolated Landscapes in Flow Networks

PubMed Central

Serrano, M. Ángeles; De Los Rios, Paolo

2008-01-01

The large-scale structure of complex systems is intimately related to their functionality and evolution. In particular, global transport processes in flow networks rely on the presence of directed pathways from input to output nodes and edges, which organize in macroscopic connected components. However, the precise relation between such structures and functional or evolutionary aspects remains to be understood. Here, we investigate which are the constraints that the global structure of directed networks imposes on transport phenomena. We define quantitatively under minimal assumptions the structural efficiency of networks to determine how robust communication between the core and the peripheral components through interface edges could be. Furthermore, we assess that optimal topologies in terms of access to the core should look like “hairy balls” so to minimize bottleneck effects and the sensitivity to failures. We illustrate our investigation with the analysis of three real networks with very different purposes and shaped by very different dynamics and time-scales–the Internet customer-provider set of relationships, the nervous system of the worm Caenorhabditis elegans, and the metabolism of the bacterium Escherichia coli. Our findings prove that different global connectivity structures result in different levels of structural efficiency. In particular, biological networks seem to be close to the optimal layout. PMID:18985157

Phase-Separated Polyaniline/Graphene Composite Electrodes for High-Rate Electrochemical Supercapacitors.

PubMed

Wu, Jifeng; Zhang, Qin'e; Zhou, An'an; Huang, Zhifeng; Bai, Hua; Li, Lei

2016-12-01

Polyaniline/graphene hydrogel composites with a macroscopically phase-separated structure are prepared. The composites show high specific capacitance and excellent rate performance. Further investigation demonstrates that polyaniline inside the graphene hydrogel has low rate performance, thus a phase-separated structure, in which polyaniline is mainly outside the graphene hydrogel matrix, can enhance the rate performance of the composites. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Benefit-Cost Analysis of Drug Abuse Prevention Programs: A Macroscopic Approach.

ERIC Educational Resources Information Center

Kim, Sehwan; And Others

1995-01-01

Determines the overall strategy for initiating benefit-cost analysis (BCA) in relation to drug abuse prevention programs, followed by definitions of BCA and cost-effectiveness analysis. Determines the most likely population benefit-cost efficiency ratio of 15:1, indicating that there is a $15 savings on every dollar spent on drug abuse education.…

Osteochondral Biopsy Analysis Demonstrates That BST-CarGel Treatment Improves Structural and Cellular Characteristics of Cartilage Repair Tissue Compared With Microfracture

PubMed Central

Méthot, Stéphane; Changoor, Adele; Tran-Khanh, Nicolas; Hoemann, Caroline D.; Stanish, William D.; Restrepo, Alberto; Shive, Matthew S.; Buschmann, Michael D.

2016-01-01

Objective The efficacy and safety of BST-CarGel, a chitosan-based medical device for cartilage repair, was compared with microfracture alone at 1 year during a multicenter randomized controlled trial (RCT) in the knee. The quality of repair tissue of osteochondral biopsies collected from a subset of patients was compared using blinded histological assessments. Methods The international RCT evaluated repair tissue quantity and quality by 3-dimensional quantitative magnetic resonance imaging as co-primary endpoints at 12 months. At an average of 13 months posttreatment, 21/41 BST-CarGel and 17/39 microfracture patients underwent elective second look arthroscopies as a tertiary endpoint, during which ICRS (International Cartilage Repair Society) macroscopic scoring was carried out, and osteochondral biopsies were collected. Stained histological sections were evaluated by blinded readers using ICRS I and II histological scoring systems. Collagen organization was evaluated using a polarized light microscopy score. Results BST-CarGel treatment resulted in significantly better ICRS macroscopic scores (P = 0.0002) compared with microfracture alone, indicating better filling, integration, and tissue appearance. Histologically, BST-CarGel resulted in a significant improvement of structural parameters—Surface Architecture (P = 0.007) and Surface/Superficial Assessment (P = 0.042)—as well as cellular parameters—Cell Viability (P = 0.006) and Cell Distribution (P = 0.032). No histological parameters were significantly better for the microfracture group. BST-CarGel treatment also resulted in a more organized repair tissue with collagen stratification more similar to native hyaline cartilage, as measured by polarized light microscopy scoring (P = 0.0003). Conclusion Multiple and independent analyses in this biopsy substudy demonstrated that BST-CarGel treatment results in improved structural and cellular characteristics of repair tissue at 1 year posttreatment compared with microfracture alone, supporting previously reported results by quantitative magnetic resonance imaging. PMID:26958314

Protective effects of total fraction of avocado/soybean unsaponifiables on the structural changes in experimental dog osteoarthritis: inhibition of nitric oxide synthase and matrix metalloproteinase-13.

PubMed

Boileau, Christelle; Martel-Pelletier, Johanne; Caron, Judith; Msika, Philippe; Guillou, Georges B; Baudouin, Caroline; Pelletier, Jean-Pierre

2009-01-01

The aims of this study were, first, to investigate the in vivo effects of treatment with avocado/soybean unsaponifiables on the development of osteoarthritic structural changes in the anterior cruciate ligament dog model and, second, to explore their mode of action. Osteoarthritis was induced by anterior cruciate ligament transection of the right knee in crossbred dogs. There were two treatment groups (n = 8 dogs/group), in which the animals received either placebo or avocado/soybean unsaponifiables (10 mg/kg per day), which were given orally for the entire duration of the study (8 weeks). We conducted macroscopic and histomorphological analyses of cartilage and subchondral bone of the femoral condyles and/or tibial plateaus. We also conducted immunohistochemical analyses in cartilage for the following antigens: inducible nitric oxide synthase, matrix metalloproteinase (MMP)-1, MMP-13, a disintegrin and metalloproteinase domain with thrombospondin motifs (ADAMTS)4 and ADAMTS5. The size of macroscopic lesions on the tibial plateaus was decreased (P = 0.04) in dogs treated with the avocado/soybean unsaponifiables. Histologically, in these animals the severity of cartilage lesions on both tibial plateaus and femoral condyles, and the cellular infiltration in synovium were significantly decreased (P = 0.0002 and P = 0.04, respectively). Treatment with avocado/soybean unsaponifiables also reduced loss of subchondral bone volume (P < 0.05) and calcified cartilage thickness (P = 0.01) compared with placebo. Immunohistochemical analysis of cartilage revealed that avocado/soybean unsaponifiables significantly reduced the level of inducible nitric oxide synthase (P < 0.05) and MMP-13 (P = 0.01) in cartilage. This study demonstrates that treatment with avocado/soybean unsaponifiables can reduce the development of early osteoarthritic cartilage and subchondral bone lesions in the anterior cruciate ligament dog model of osteoarthritis. This effect appears to be mediated through the inhibition of inducible nitric oxide synthase and MMP-13, which are key mediators of the structural changes that take place in osteoarthritis.

A modified Gurson-type plasticity model at finite strains: formulation, numerical analysis and phase-field coupling

NASA Astrophysics Data System (ADS)

Aldakheel, Fadi; Wriggers, Peter; Miehe, Christian

2017-12-01

The modeling of failure in ductile materials must account for complex phenomena at the micro-scale, such as nucleation, growth and coalescence of micro-voids, as well as the final rupture at the macro-scale, as rooted in the work of Gurson (J Eng Mater Technol 99:2-15, 1977). Within a top-down viewpoint, this can be achieved by the combination of a micro-structure-informed elastic-plastic model for a porous medium with a concept for the modeling of macroscopic crack discontinuities. The modeling of macroscopic cracks can be achieved in a convenient way by recently developed continuum phase field approaches to fracture, which are based on the regularization of sharp crack discontinuities, see Miehe et al. (Comput Methods Appl Mech Eng 294:486-522, 2015). This avoids the use of complex discretization methods for crack discontinuities, and can account for complex crack patterns. In this work, we develop a new theoretical and computational framework for the phase field modeling of ductile fracture in conventional elastic-plastic solids under finite strain deformation. It combines modified structures of Gurson-Tvergaard-Needelman GTN-type plasticity model outlined in Tvergaard and Needleman (Acta Metall 32:157-169, 1984) and Nahshon and Hutchinson (Eur J Mech A Solids 27:1-17, 2008) with a new evolution equation for the crack phase field. An important aspect of this work is the development of a robust Explicit-Implicit numerical integration scheme for the highly nonlinear rate equations of the enhanced GTN model, resulting with a low computational cost strategy. The performance of the formulation is underlined by means of some representative examples, including the development of the experimentally observed cup-cone failure mechanism.

Nondestructive, epi-illumination surface microscopic characterization of surface discontinuity in bone: a new approach offers a descriptive vocabulary and new insights.

PubMed

Rothschild, Bruce M

2013-04-01

Perspectives are in the eye of the beholder and are expanded with increased scrutiny (e.g., magnification). The term "porosity' for macroscopically or radiologically identifiable discontinuity in bone is so variably applied as to be incomprehensible in its meanings. A closer examination of surface discontinuity seems appropriate. Histological and atomic level analysis of bone alterations misses the forest for the trees and the former destroys the very subject it attempts to characterize. Surface discontinuity was therefore evaluated at the three-dimensional submacroscopic level. An epifluorescent/illumination microscope was used to characterize surface discontinuity in intact specimens of known pathophysiology and/or derivation. The derived perspectives were then utilized to characterize other surface discontinuity. The smooth boundaries of vascular foramen and internal bifurcation, continuity of the expanded base of nerve structures and surrounding elevated rings of Sharpey fibers are all clearly distinguishable from fronts of resorption in erosive arthritis, serpentine discontinuity associated with infectious processes, specific zones of resorption noted in tuberculosis, and structural bone exposure by taphonomic abrasion. These perspectives allow the bone pathology associated with hematoma to be characterized as accentuated Sharpey fiber insertions; maxillary and sphenoid surface discontinuity, as vascular in origin; and periosteal reaction, as manifest by superficial bifurcating channels and in-growth, similar to healing trephanation. Epi-illumination microscopy bridges macroscopic and histological examination, providing greater understanding of the pathology, at no cost to the integrity of the material studied. It explains a number of observed results, while providing discriminatory descriptions of phenomena for which pathophysiology has not yet been clarified. Copyright © 2013 Wiley Periodicals, Inc.

Macroscopic Quantum Phase-Locking Model for the Quantum Hall = Effect

NASA Astrophysics Data System (ADS)

Wang, Te-Chun; Gou, Yih-Shun

1997-08-01

A macroscopic model of nonlinear dissipative phase-locking between a Josephson-like frequency and a macroscopic electron wave frequency is proposed to explain the Quantum Hall Effect. It is well known that a r.f-biased Josephson junction displays a collective phase-locking behavior which can be described by a non-autonomous second order equation or an equivalent 2+1-dimensional dynamical system. Making a direct analogy between the QHE and the Josephson system, this report proposes a computer-solving nonlinear dynamical model for the quantization of the Hall resistance. In this model, the Hall voltage is assumed to be proportional to a Josephson-like frequency and the Hall current is assumed related to a coherent electron wave frequency. The Hall resistance is shown to be quantized in units of the fine structure constant as the ratio of these two frequencies are locked into a rational winding number. To explain the sample-width dependence of the critical current, the 2DEG under large applied current is further assumed to develop a Josephson-like junction array in which all Josephson-like frequencies are synchronized. Other remarkable features of the QHE such as the resistance fluctuation and the even-denominator states are also discussed within this picture.

Nuclear ground-state masses and deformations: FRDM(2012)

DOE PAGES

Moller, P.; Sierk, A. J.; Ichikawa, T.; ...

2016-03-25

Here, we tabulate the atomic mass excesses and binding energies, ground-state shell-plus-pairing corrections, ground-state microscopic corrections, and nuclear ground-state deformations of 9318 nuclei ranging from 16O to A=339. The calculations are based on the finite-range droplet macroscopic and the folded-Yukawa single-particle microscopic nuclear-structure models, which are completely specified. Relative to our FRDM(1992) mass table in Möller et al. (1995), the results are obtained in the same model, but with considerably improved treatment of deformation and fewer of the approximations that were necessary earlier, due to limitations in computer power. The more accurate execution of the model and the more extensivemore » and more accurate experimental mass data base now available allow us to determine one additional macroscopic-model parameter, the density-symmetry coefficient LL, which was not varied in the previous calculation, but set to zero. Because we now realize that the FRDM is inaccurate for some highly deformed shapes occurring in fission, because some effects are derived in terms of perturbations around a sphere, we only adjust its macroscopic parameters to ground-state masses.« less

Development of the Liver in Alpaca (Vicugna pacos): A Microscopic and Macroscopic Description.

PubMed

Castro, A N C; Domínguez, M T; Gómez, S A; Mendoza Torres, G J; Llerena Zavala, C A; Ghezzi, M D; Barbeito, C G

2016-06-01

South American camelids have several biological, morphological and behavioural adaptations that allow them to live in geographical areas dominated by high altitudes. The liver has hematopoietic functions during the prenatal life, which could be modified in response to the unfavorable habitat. However, there are no previous data on the prenatal development of the liver in these species. In the present work, a study on the macroscopic and microscopic morphology of the liver of the alpaca during ontogeny was performed. Forty-one animals ranging in age from 20 days of embryonic development to adults were studied. Macroscopic and microscopic observations were performed on samples subjected to different techniques. Less than 7-g specimens were studied with stereoscopic magnifying glass. The general characteristics of the prenatal liver are similar to those of other mammals, and the structures related to hematopoietic function follow an ontogenic pattern similar to that of previously studied precocial species. However, there are differences in morphology when compared to descriptions for the Old World camelids, including the absence of relation between the caudate lobe and the right kidney and the lack of interlobular connective tissue. © 2015 Blackwell Verlag GmbH.

Microscopic theory of linear light scattering from mesoscopic media and in near-field optics.

PubMed

Keller, Ole

2005-08-01

On the basis of quantum mechanical response theory a microscopic propagator theory of linear light scattering from mesoscopic systems is presented. The central integral equation problem is transferred to a matrix equation problem by discretization in transitions between pairs of (many-body) energy eigenstates. The local-field calculation which appears from this approach is valid down to the microscopic region. Previous theories based on the (macroscopic) dielectric constant concept make use of spatial (geometrical) discretization and cannot in general be trusted on the mesoscopic length scale. The present theory can be applied to light scattering studies in near-field optics. After a brief discussion of the macroscopic integral equation problem a microscopic potential description of the scattering process is established. In combination with the use of microscopic electromagnetic propagators the formalism allows one to make contact to the macroscopic theory of light scattering and to the spatial photon localization problem. The quantum structure of the microscopic conductivity response tensor enables one to establish a clear physical picture of the origin of local-field phenomena in mesoscopic and near-field optics. The Huygens scalar propagator formalism is revisited and its generality in microscopic physics pointed out.

Two Studies from the Development Cycle of Macroscopic Carbon Nanotube Materials: Rheology of Carbon Nanotubes in Superadds and Characterization of the Electrochemical Circuit Behavior of Carbon Nanotube Fiber Electrodes for Electrophysiology

NASA Astrophysics Data System (ADS)

Young, Colin Christopher

Carbon nanotubes (CNTs) possess a variety of properties which make them attractive as building blocks for high performance multi-functional materials. The discovery that superacids such as chlorosulfonic acid (ClHSO 3) act as true solvents for CNTs has led to the development of fluid processing techniques by which a variety of macroscopic CNT materials can be fabricated. This work presents two studies which are linked by the common thread of CNT materials development from acid solution precursors. The first study compares the rheology of two different CNT species in ClHSO3 as a function of concentration and frequency. The development of elastic structure with increasing solution concentration is found to depend strongly on the morphology of the liquid crystalline phase domains in the biphasic regime; physical interactions between non-interpenetrating liquid crystal domains are found to be a significant source of viscoelastic stress. An analysis of the scaling of viscoelastic behavior at short time scales, based on models of semiflexible polymer rheology, reveals that the primary contribution to the stress at short times is longitudinal tension resulting from contour fluctuations of individual CNTs; this tension-dominated stress is the primary viscoelastic stress for low concentration solutions. The second study investigates the electrochemical properties of macroscopic CNT fibers for applications in electrophysiology and cardiac medicine. CNT fibers exhibit much lower interfacial impedance with physiological saline and cardiac tissue than platinum wire of the same geometric surface area. Equivalent circuit modeling demonstrates that the low area-specific impedance of these fibers arises from a large double layer capacitance, which in turn arises from wetting of the internal porous surface area. Aging and storage conditions are shown to affect the wettability of this structure, and an electrowetting treatment is demonstrated which creates a stable increase in CNT fiber electrode performance. The specific circuit behavior of the CNT fiber is used to construct a theoretical model for CNT fiber electrode performance in cardiac tissue in vivo and to calculate a transfer function which represents the efficiency with which a cellular action potential may be transmitted through a CNT fiber between two electrically separated regions of cardiac tissue.

Relation between the Macroscopic Pattern of Elephant Ivory and Its Three-Dimensional Micro-Tubular Network

PubMed Central

Albéric, Marie; Dean, Mason N.; Gourrier, Aurélien; Wagermaier, Wolfgang; Dunlop, John W. C.; Staude, Andreas; Fratzl, Peter; Reiche, Ina

2017-01-01

Macroscopic, periodic, dark and bright patterns are observed on sections of elephant tusk, in the dentin part (ivory). The motifs—also called Schreger pattern—vary depending on the orientation in the tusk: on sections perpendicular to the tusk axis, a checkerboard pattern is present whereas on sections longitudinal to it, alternating stripes are observed. This pattern has been used to identify elephant and mammoth ivory in archeological artifacts and informs on the continuous tissue growth mechanisms of tusk. However, its origin, assumed to be related to the 3D structure of empty microtubules surrounded by the ivory matrix has yet to be characterized unequivocally. Based on 2D observations of the ivory microtubules by means of a variety of imaging techniques of three different planes (transverse, longitudinal and tangential to the tusk axis), we show that the dark areas of the macroscopic pattern are due to tubules oblique to the surface whereas bright areas are related to tubules parallel to it. The different microstructures observed in the three planes as well as the 3D data obtained by SR-μCT analysis allow us to propose a 3D model of the microtubule network with helical tubules phase-shifted in the tangential direction. The phase shift is a combination of a continuous phase shift of π every 1 mm with a stepwise phase shift of π/2 every 500 μm. By using 3D modeling, we show how the 3D helical model better represents the experimental microstructure observed in 2D planes compared to previous models in the literature. This brings new information on the origin of the unique Schreger pattern of elephant ivory, crucial for better understanding how archaeological objects were processed and for opening new routes to rethink how biological materials are built. PMID:28125603

XMCD and TEM studies of as-cast and rapidly quenched Fe50Nd50 alloys

NASA Astrophysics Data System (ADS)

Menushenkov, V. P.; Menushenkov, A. P.; Shchetinin, I. V.; Wilhelm, F.; Ivanov, A. A.; Rudnev, I. A.; Ivanov, V. G.; Rogalev, A.; Savchenko, A. G.; Zhukov, D. G.; Rafalskiy, A. V.; Ketov, S. V.

2017-12-01

We present the XMCD analysis of as-cast and melt spun Fe50Nd50 samples performed at L2,3 -Nd and K-Fe absorption edges at 5 and 50 K in comparison with macroscopic data of XRD, TEM and magnetic properties measurements. In addition, we have measured the magnetic field dependence of XMCD signal for both types of the samples in magnetic fields up/down to 17 T. The obtained results pointed to the strong difference between structure and magnetic properties of the as-cast and melt spun Fe50Nd50 alloys for both macroscopic and local measurements. The element selective XMCD loops for melt spun alloy show almost identical value of the coercive force Hci for L 2-Nd and K-Fe edges and practically do not depend on temperature. XMCD loop at K-Fe edge is a sum of contributions of the Fe-based phases. The main Fe-rich phase has high Hci ≈ 2,4 T as a highly anisotropic phase. The absence of the K-Fe XMCD loop saturation in the field up to 17 T points to presence of the second Nd-rich Nd-Fe phase which is ferromagnetic at temperature lower than 50 K. In accordance to the TEM results these both phases may coexist as the mixture of nanocrystals which was formed as a result of decomposition of the amorphous-like matrix phase. The XMCD loop at L2 -Nd edge with Hci ≈ 1,9 T is the sum of contributions from two Nd-based phases: hard Fe-rich phase (Hci ≈ 2,4 T) and Nd-Fe matrix phase of medium hardness with Hci ≈ 1,3 T. The macroscopic loop showed the higher Hci compared to XMCD loops. Such discrepancy may be caused by the fact that XMCD signal is collected from a 5-10 mcm thick surface layer, which contains many defects that reduce anisotropy and coercivity.

A novel flexible capacitive touch pad based on graphene oxide film.

PubMed

Tian, He; Yang, Yi; Xie, Dan; Ren, Tian-Ling; Shu, Yi; Zhou, Chang-Jian; Sun, Hui; Liu, Xuan; Zhang, Cang-Hai

2013-02-07

Recently, graphene oxide (GO) supercapacitors with ultra-high energy densities have received significant attention. In addition to energy storage, GO capacitors might also have broad applications in renewable energy engineering, such as vibration and sound energy harvesting. Here, we experimentally create a macroscopic flexible capacitive touch pad based on GO film. An obvious touch "ON" to "OFF" voltage ratio up to ∼60 has been observed. Moreover, we tested the capacitor structure on both flat and curved surfaces and it showed high response sensitivity under fast touch rates. Collectively, our results raise the exciting prospect that the realization of macroscopic flexible keyboards with large-area graphene based materials is technologically feasible, which may open up important applications in control and interface design for solar cells, speakers, supercapacitors, batteries and MEMS systems.

Microscopic study of spin cut-off factors of nuclear level densities

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

Gholami, M.; Kildir, M.; Behkami, A. N.

Level densities and spin cut-off factors have been investigated within the microscopic approach based on the BCS Hamiltonian. In particular, the spin cut-off parameters have been calculated at neutron binding energies over a large range of nuclear mass using the BCS theory. The spin cut-off parameters {sigma}{sup 2}(E) have also been obtained from the Gilbert and Cameron expression and from rigid body calculations. The results were compared with their corresponding macroscopic values. It was found that the values of {sigma}{sup 2}(E) did not increase smoothly with A as expected based on macroscopic theory. Instead, the values of {sigma}{sup 2}(E) showmore » structure reflecting the angular momentum of the shell model orbitals near the Fermi energy.« less

Shape selection of twist-nematic-elastomer ribbons

PubMed Central

Sawa, Yoshiki; Ye, Fangfu; Urayama, Kenji; Takigawa, Toshikazu; Gimenez-Pinto, Vianney; Selinger, Robin L. B.; Selinger, Jonathan V.

2011-01-01

How microscopic chirality is reflected in macroscopic scale to form various chiral shapes, such as straight helicoids and spiral ribbons, and how the degree of macroscopic chirality can be controlled are a focus of studies on the shape formation of many biomaterials and supramolecular systems. This article investigates both experimentally and theoretically how the chiral arrangement of liquid crystal mesogens in twist-nematic-elastomer films induces the formation of helicoids and spiral ribbons because of the coupling between the liquid crystalline order and the elasticity. It is also shown that the pitch of the formed ribbons can be tuned by temperature variation. The results of this study will facilitate the understanding of physics for the shape formation of chiral materials and the designing of new structures on basis of microscopic chirality. PMID:21464276

A novel flexible capacitive touch pad based on graphene oxide film

NASA Astrophysics Data System (ADS)

Tian, He; Yang, Yi; Xie, Dan; Ren, Tian-Ling; Shu, Yi; Zhou, Chang-Jian; Sun, Hui; Liu, Xuan; Zhang, Cang-Hai

2013-01-01

Recently, graphene oxide (GO) supercapacitors with ultra-high energy densities have received significant attention. In addition to energy storage, GO capacitors might also have broad applications in renewable energy engineering, such as vibration and sound energy harvesting. Here, we experimentally create a macroscopic flexible capacitive touch pad based on GO film. An obvious touch ``ON'' to ``OFF'' voltage ratio up to ~60 has been observed. Moreover, we tested the capacitor structure on both flat and curved surfaces and it showed high response sensitivity under fast touch rates. Collectively, our results raise the exciting prospect that the realization of macroscopic flexible keyboards with large-area graphene based materials is technologically feasible, which may open up important applications in control and interface design for solar cells, speakers, supercapacitors, batteries and MEMS systems.

Phase segregation due to simultaneous migration and coalescence

NASA Technical Reports Server (NTRS)

Davis, Robert H.

1994-01-01

The primary objective of the research is to perform ground-based analysis and experiments on the interaction and coalescence of drops (or bubbles) leading to macroscopic phase separation. Migration of the drops occurs as a result of the individual and collective action of gravity and thermocapillary effects. Larger drops migrate faster than smaller ones, leading to the possibility of collisions and coalescence. Coalescence increases the rate of macroscopic phase separation, since the result is larger drops with higher migration rates. It is hoped that the understanding gained will lead to the design of microgravity experiments to further elucidate the mechanisms governing coalescence and phase separation.

Intratumoral Macroscopic Fat and Hemorrhage Combination Useful in the Differentiation of Benign and Malignant Solid Renal Masses.

PubMed

Sun, Jun; Xing, Zhaoyu; Xing, Wei; Zheng, Linfeng; Chen, Jie; Fan, Min; Chen, Tongbing; Zhang, Zhuoli

2016-03-01

To evaluate the value of combining the detection of intratumoral macroscopic fat and hemorrhage in the differentiation of the benign from malignant solid renal masses.Conventional magnetic resonance imaging (MRI), chemical shift (CS)-MRI, and susceptibility-weighted imaging were performed in 152 patients with 152 solid renal masses, including 48 benign and 104 malignant masses all pathologically confirmed. The presence of macroscopic fat detected by CS-MRI and hemorrhage detected by susceptibility-weighted imaging were evaluated in all masses. The rates of macroscopic fat and hemorrhage observed between benign and malignant masses were compared by a χ test. All masses found to contain macroscopic fat with or without hemorrhage were considered to be benign. The remaining masses (without macroscopic fat) found not to contain hemorrhage were considered to be benign. Only those found to contain hemorrhage alone were considered to be malignant. The evaluation indexes for differentiating and forecasting the benign and malignant masses were calculated.Significant differences in the rate of macroscopic fat (observed in 85.42% of benign masses vs. 0% of malignant masses) and hemorrhage (observed in 4.17% of benign masses vs. 95.19% of malignant masses) were measured in the benign and malignant groups (P < 0.005, for both). The 41 masses containing macroscopic fat with or without hemorrhage and 11 masses containing neither macroscopic fat nor hemorrhage were considered to be benign. The 100 masses containing no macroscopic fat and only hemorrhage were considered to be malignant. By combining the results for the macroscopic fat and hemorrhage, the accuracy, sensitivity, and specificity in the differential diagnosis of the benign and malignant masses were 96.05%, 95.19%, and 97.92%, respectively, and the accuracy and error rate of forecasting the benign and malignant masses were 95.39% and 4.61%, respectively.Combining the detection intratumoral macroscopic fat and hemorrhage can be used to differentiate the benign from malignant solid renal masses.

The rheology and microstructure of aging thermoreversible colloidal gels & attractive driven glasses

NASA Astrophysics Data System (ADS)

Wagner, Norman; Gordon, Melissa; Kloxin, Christopher

The properties of colloidal gels and glasses are known to change with age, but the particle-level mechanisms by which aging occurs is are fully understood, which limits our ability to predict macroscopic behavior in these systems. In this work, we quantitatively relate rheological aging to structural aging of a model, homogenous gel and attractive driven glass by simultaneously measuring the bulk properties and gel microstructure using rheometry and small angle neutron scattering (Rheo-SANS), respectively. Specifically, we develop a quantitative and predictive relationship between the macroscopic properties and the underlying microstructure (i . e . , the effective strength of attraction) of an aging colloidal gel and attractive driven glass and study it as a function of the thermal and shear history. Analysis with mode coupling theory is consistent with local particle rearrangements as the mechanism of aging, which lead to monotonically increasing interaction strengths in a continuously evolving material and strongly supports aging as a trajectory in the free energy landscape dominated by local particle relaxations. The analyses and conclusions of this study may be 1) industrially relevant to products that age on commercial timescales, such as paints and pharmaceuticals, 2) applicable to other dynamically arrested systems, such as metallic glasses, and 3) used in the design of new materials. NIST Center for Neutron Research CNS cooperative agreement number #70NANB12H239 and NASA Grant No. NNX15AI19H.

Fascial structures and autonomic nerves in the female pelvis: a study using macroscopic slices and their corresponding histology.

PubMed

Tamakawa, Mitsuharu; Murakami, Gen; Takashima, Ken; Kato, Tomoyasu; Hareyama, Masato

2003-12-01

We investigated the topographical anatomy of the pelvic fasciae and autonomic nerves using macroscopic slices of five decalcified female pelves. The lateral aspect of the supravaginal cervix uteri and superior-most vagina issued abundant thick fiber bundles. These visceral fibrous tissues extended dorsolaterally, joined another fibrous tissue from the rectum (the actual lateral ligament of the rectum) and attached to the parietal fibrous tissues at and around the sciatic foramina (i.e. the sacrospinous ligament, thick fasciae of the coccygeus and piriformis and dorsal end of the covering fascia of the levator ani). The inferior or ventral vagina also issued thick fiber bundles communicating with the levator ani fascia. This connection between the vagina and levator fascia, when stretched, seemed to provide a macroscopic morphology called the arcus tendineus fasciae pelvis. The overall morphology of the visceroparietal fascial bridge exhibited a bilateral wing-like shape. The fascial bridge complex was adjacent but dorso-inferior to the internal iliac vascular sheath and located slightly ventral to the pelvic splanchnic nerve. However, the pelvic plexus and its peripheral branches were embedded in the fascial complex. The hypogastric nerve ran along and beneath the uterosacral peritoneal fold, which did not contain thick fibrous tissue. During surgery, in combination with the superficially located vascular sheath, the morphology of the visceroparietal fascial bridge and associated nerves seemed to be artificially changed and developed into the so-called cardinal, uterosacral, uterovesical and/or rectal lateral ligaments. The classical and original concepts of these pelvic fascial structures may need to be altered to adjust to these surgical observations.

Long-range and depth-selective imaging of macroscopic targets using low-coherence and wide-field interferometry (Conference Presentation)

NASA Astrophysics Data System (ADS)

Woo, Sungsoo; Kang, Sungsam; Yoon, Changhyeong; Choi, Wonshik

2016-03-01

With the advancement of 3D display technology, 3D imaging of macroscopic objects has drawn much attention as they provide the contents to display. The most widely used imaging methods include a depth camera, which measures time of flight for the depth discrimination, and various structured illumination techniques. However, these existing methods have poor depth resolution, which makes imaging complicated structures a difficult task. In order to resolve this issue, we propose an imaging system based upon low-coherence interferometry and off-axis digital holographic imaging. By using light source with coherence length of 200 micro, we achieved the depth resolution of 100 micro. In order to map the macroscopic objects with this high axial resolution, we installed a pair of prisms in the reference beam path for the long-range scanning of the optical path length. Specifically, one prism was fixed in position, and the other prism was mounted on a translation stage and translated in parallel to the first prism. Due to the multiple internal reflections between the two prisms, the overall path length was elongated by a factor of 50. In this way, we could cover a depth range more than 1 meter. In addition, we employed multiple speckle illuminations and incoherent averaging of the acquired holographic images for reducing the specular reflections from the target surface. Using this newly developed system, we performed imaging targets with multiple different layers and demonstrated imaging targets hidden behind the scattering layers. The method was also applied to imaging targets located around the corner.

Structure and interactions of human respiratory mucin

NASA Astrophysics Data System (ADS)

Purdy, Kirstin; Sheehan, John; Rubinstein, Michael; Wong, Gerard

2006-03-01

Human respiratory mucin plays a crucial role in the pathology of Cystic Fibrosis lung infections. Mucin is a flexible, linear polyelectrolyte, characterized by its many charged oligo-carbohydrate side chains that give it its bottle-brush structure. The macroscopic properties of a mucin suspension are known to change drastically with changes in ion concentration and solution pH, but little is known about the effect of these variables on individual mucin structure. We present preliminary results on the structural response of individual human respiratory mucin molecules to variations in concentration of ions of different valences via small angle x-ray diffraction.

Constriction structures related to viscous collision, southern Prince Charles Mountains, Antarctica

NASA Astrophysics Data System (ADS)

Corvino, Adrian F.; Boger, Steven D.; Fay, Clement

2016-09-01

Macroscopic structures are investigated in a zone of highly contorted migmatites from the southern Prince Charles Mountains, Antarctica. Here, L-tectonite fabrics, rods, mullions, boudin pods, elongate enclaves, and fold hinges, are persistent linear features all plunging gently to the northeast. In contrast, amoeboid folds, ptygmatic folds and folded boudins with different orientations are the characteristic structures in transverse sections (perpendicular to the lineation). No consistent shear sense is recognised in any dimension. Together with strain and shape analysis, these observations strongly suggest that the deformation pattern is one of folding and stretching by constriction. Previous timing constraints indicate that this deformation overlapped with the waning stages of anatexis during decompression at approximately 510 Ma, up to 30 million years after initial orogeny at 540 Ma. The zone affected by constriction is several kilometres wide and has a contorted flower-like shape confined between two broad domal antiforms. In this context, the constricted zone is interpreted as a relatively late tectonic feature that could have formed via deep-seated viscous collision in response to orogenic collapse and doming.

Nanoforging - Innovation in three-dimensional processing and shaping of nanoscaled structures.

PubMed

Landefeld, Andreas; Rösler, Joachim

2014-01-01

This paper describes the shaping of freestanding objects out of metallic structures in the nano- and submicron size. The technique used, called nanoforging, is very similar to the macroscopic forging process. With spring actuated tools produced by focused ion beam milling, controlled forging is demonstrated. With only three steps, a conical bar stock is transformed to a flat- and semicircular bent bar stock. Compared with other forming techniques in the reduced scale, nanoforging represents a beneficial approach in forming freestanding metallic structures, due to its simplicity, and supplements other forming techniques.

Microgravity foam structure and rheology

NASA Technical Reports Server (NTRS)

Durian, Douglas J.; Gopal, Anthony D.

1994-01-01

Our long-range objective is to establish the fundamental interrelationship between the microscopic structure and dynamics of foams and their macroscopic stability and rheology. Foam structure and dynamics are to be measured directly and noninvasively through the use and development of novel multiple light scattering techniques such as diffusing-wave spectroscopy (DWS). Foam rheology is to be measured in a custom rheometer which allows simultaneous optical access for multiple light drainage of liquid from in between gas bubbles as the liquid:gas volume fraction in increased towards the rigidity-loss transition.

Consistency of the structure of Legendre transform in thermodynamics with the Kolmogorov-Nagumo average

NASA Astrophysics Data System (ADS)

Scarfone, A. M.; Matsuzoe, H.; Wada, T.

2016-09-01

We show the robustness of the structure of Legendre transform in thermodynamics against the replacement of the standard linear average with the Kolmogorov-Nagumo nonlinear average to evaluate the expectation values of the macroscopic physical observables. The consequence of this statement is twofold: 1) the relationships between the expectation values and the corresponding Lagrange multipliers still hold in the present formalism; 2) the universality of the Gibbs equation as well as other thermodynamic relations are unaffected by the structure of the average used in the theory.

Macroscopic and microscopic findings in avascular necrosis of the femoral head.

PubMed

Kamal, Diana; Alexandru, D O; Kamal, C K; Streba, C T; Grecu, D; Mogoantă, L

2012-01-01

The avascular necrosis of the femoral head is an illness induced by the cutoff of blood flow to the femoral head and it affects mostly young adults between the ages of 30 and 50 years, raising therapeutic and diagnostic issues. Many risk factors are incriminated in the development of avascular necrosis of the femoral head like: trauma, chronic alcohol consumption, smoking, administration of corticosteroid drugs, most of the cases are considered to be idiopathic. The main goal of our paper is to describe the macroscopic and microscopic variations of the bone structure, which occur in patients with avascular necrosis of the femoral head. The biological material needed for our study was obtained following hip arthroplasty surgery in 26 patients between the ages of 29 and 59 years, which previously were diagnosed with avascular necrosis of the femoral head and admitted in the Orthopedics Department of the Emergency County Hospital of Craiova (Romania) between 2010 and 2011. From a macroscopic point of view, we found well defined areas of necrosis, most of which were neatly demarcated of the adjacent viable tissue by hyperemic areas, loss of shape and contour of the femoral head and transformations of the articular cartilage above the area of necrosis. When examined under the microscope, we found vast areas of fibrosis, narrow bone trabeculae, obstructed blood vessels or blood vessels with clots inside, hypertrophic fat cells, bone sequestration but also small cells and pyknotic nuclei. The microscopic and macroscopic findings on the femoral head sections varied with the patients and the stage of the disease.

Materials with periodic internal structure: Computation based on homogenization and comparison with experiment

NASA Technical Reports Server (NTRS)

Jansson, S.; Leckie, F. A.; Onat, E. T.; Ranaweera, M. P.

1990-01-01

The combination of thermal and mechanical loading expected in practice means that constitutive equations of metal matrix composites must be developed which deal with time-independent and time-dependent irreversible deformation. Also, the internal state of composites is extremely complicated which underlines the need to formulate macroscopic constitutive equations with a limited number of state variables which represent the internal state at the micro level. One available method for calculating the macro properties of composites in terms of the distribution and properties of the constituent materials is the method of homogenization whose formulation is based on the periodicity of the substructure of the composite. A homogenization procedure was developed which lends itself to the use of the finite element procedure. The efficiency of these procedures, to determine the macroscopic properties of a composite system from its constituent properties, was demonstrated utilizing an aluminum plate perforated by directionally oriented slits. The selection of this problem is based on the fact that, extensive experimental results exist, the macroscopic response is highly anisotropic, and that the slits provide very high stress gradients which severely test the effectiveness of the computational procedures. Furthermore, both elastic and plastic properties were investigated so that the application to practical systems with inelastic deformation should be able to proceed without difficulty. The effectiveness of the procedures was rigorously checked against experimental results and with the predictions of approximate calculations. Using the computational results it is illustrated how macroscopic constitutive equations can be expressed in forms of the elastic and limit load behavior.

Using Non-linear Homogenization to Improve the Performance of Macroscopic Damage Models of Trabecular Bone.

PubMed

Levrero-Florencio, Francesc; Pankaj, Pankaj

2018-01-01

Realistic macro-level finite element simulations of the mechanical behavior of trabecular bone, a cellular anisotropic material, require a suitable constitutive model; a model that incorporates the mechanical response of bone for complex loading scenarios and includes post-elastic phenomena, such as plasticity (permanent deformations) and damage (permanent stiffness reduction), which bone is likely to experience. Some such models have been developed by conducting homogenization-based multiscale finite element simulations on bone micro-structure. While homogenization has been fairly successful in the elastic regime and, to some extent, in modeling the macroscopic plastic response, it has remained a challenge with respect to modeling damage. This study uses a homogenization scheme to upscale the damage behavior from the tissue level (microscale) to the organ level (macroscale) and assesses the suitability of different damage constitutive laws. Ten cubic specimens were each subjected to 21 strain-controlled load cases for a small range of macroscopic post-elastic strains. Isotropic and anisotropic criteria were considered, density and fabric relationships were used in the formulation of the damage law, and a combined isotropic/anisotropic law with tension/compression asymmetry was formulated, based on the homogenized results, as a possible alternative to the currently used single scalar damage criterion. This computational study enhances the current knowledge on the macroscopic damage behavior of trabecular bone. By developing relationships of damage progression with bone's micro-architectural indices (density and fabric) the study also provides an aid for the creation of more precise macroscale continuum models, which are likely to improve clinical predictions.

Macroscopic Spatial Complexity of the Game of Life Cellular Automaton: A Simple Data Analysis

NASA Astrophysics Data System (ADS)

Hernández-Montoya, A. R.; Coronel-Brizio, H. F.; Rodríguez-Achach, M. E.

In this chapter we present a simple data analysis of an ensemble of 20 time series, generated by averaging the spatial positions of the living cells for each state of the Game of Life Cellular Automaton (GoL). We show that at the macroscopic level described by these time series, complexity properties of GoL are also presented and the following emergent properties, typical of data extracted complex systems such as financial or economical come out: variations of the generated time series following an asymptotic power law distribution, large fluctuations tending to be followed by large fluctuations, and small fluctuations tending to be followed by small ones, and fast decay of linear correlations, however, the correlations associated to their absolute variations exhibit a long range memory. Finally, a Detrended Fluctuation Analysis (DFA) of the generated time series, indicates that the GoL spatial macro states described by the time series are not either completely ordered or random, in a measurable and very interesting way.

Molecular Modeling as a Self-Taught Component of a Conventional Undergraduate Chemical Reaction Engineering Course

ERIC Educational Resources Information Center

Rothe, Erhard W.; Zygmunt, William E.

2016-01-01

We inserted a self-taught molecular modeling project into an otherwise conventional undergraduate chemical-reaction-engineering course. Our objectives were that students should (a) learn with minimal instructor intervention, (b) gain an appreciation for the relationship between molecular structure and, first, macroscopic state functions in…

Macroscopic Linguistic Features of the Chinese Writing of Deaf Individuals

ERIC Educational Resources Information Center

Liu, Haitao; Jin, Huiyuan

2017-01-01

Deaf individuals usually face more challenges in reading and writing, because they are often deprived of adequate spoken input from their infancy. Research on the language features of deaf individuals' writing is abundant. However, their language structures have as yet been unexplored. In order to address this subject, this article uses the…

Dynamic Data Driven Applications Systems (DDDAS)

DTIC Science & Technology

2012-05-03

response) – Earthquakes, hurricanes, tornados, wildfires, floods, landslides, tsunamis, … • Critical Infrastructure systems – Electric-powergrid...Multiphase Flow Weather and Climate Structural Mechanics Seismic Processing Aerodynamics Geophysical Fluids Quantum Chemistry Actinide Chemistry...Alloys • Approach and Objectives:  Consider porous SMAs:  similar macroscopic behavior but mass /weight is less, and thus attractive for

Student Understanding of Intermolecular Forces: A Multimodal Study

ERIC Educational Resources Information Center

Cooper, Melanie M.; Williams, Leah C.; Underwood, Sonia M.

2015-01-01

The ability to use representations of molecular structure to predict the macroscopic properties of a substance is central to the development of a robust understanding of chemistry. Intermolecular forces (IMFs) play an important role in this process because they provide a mechanism for how and why molecules interact. In this study, we investigate…

Wood structure and adhesive bond strength

Treesearch

Charles R. Frihart

2006-01-01

Much of the literature on the bonding of wood and other lignocellulosic materials has concentrated on traditional adhesion theories. This has led to misconceptions because wood is a porous material on both the macroscopic and microscopic levels. A better understanding of wood bonding can be developed by investigating the theories of adhesion and bond strength, taking...

Unraveling double stranded alpha-helical coiled coils: an x-ray diffraction study on hard alpha-keratin fibers.

PubMed

Kreplak, L; Doucet, J; Briki, F

2001-04-15

Transformations of proteins secondary and tertiary structures are generally studied in globular proteins in solution. In fibrous proteins, such as hard alpha-keratin, that contain long and well-defined double stranded alpha-helical coiled coil domains, such study can be directly done on the native fibrous tissue. In order to assess the structural behavior of the coiled coil domains under an axial mechanical stress, wide angle x-ray scattering and small angle x-ray scattering experiments have been carried out on stretched horse hair fibers at relative humidity around 30%. Our observations of the three major axial spacings as a function of the applied macroscopic strain have shown two rates. Up to 4% macroscopic strain the coiled coils were slightly distorted but retained their overall conformation. Above 4% the proportion of coiled coil domains progressively decreased. The main and new result of our study is the observation of the transition from alpha-helical coiled coils to disordered chains instead of the alpha-helical coiled coil to beta-sheet transition that occurs in wet fibers.

A Multiscale Model for the Quasi-Static Thermo-Plastic Behavior of Highly Cross-Linked Glassy Polymers

DOE PAGES

Vu-Bac, N.; Bessa, M. A.; Rabczuk, Timon; ...

2015-09-10

In this paper, we present experimentally validated molecular dynamics predictions of the quasi- static yield and post-yield behavior for a highly cross-linked epoxy polymer under gen- eral stress states and for different temperatures. In addition, a hierarchical multiscale model is presented where the nano-scale simulations obtained from molecular dynamics were homogenized to a continuum thermoplastic constitutive model for the epoxy that can be used to describe the macroscopic behavior of the material. Three major conclusions were achieved: (1) the yield surfaces generated from the nano-scale model for different temperatures agree well with the paraboloid yield crite- rion, supporting previous macroscopicmore » experimental observations; (2) rescaling of the entire yield surfaces to the quasi-static case is possible by considering Argon’s theoretical predictions for pure compression of the polymer at absolute zero temperature; (3) nano- scale simulations can be used for an experimentally-free calibration of macroscopic con- tinuum models, opening new avenues for the design of materials and structures through multi-scale simulations that provide structure-property-performance relationships.« less

Macroscopic behavior and microscopic magnetic properties of nanocarbon

NASA Astrophysics Data System (ADS)

Lähderanta, E.; Ryzhov, V. A.; Lashkul, A. V.; Galimov, D. M.; Titkov, A. N.; Matveev, V. V.; Mokeev, M. V.; Kurbakov, A. I.; Lisunov, K. G.

2015-06-01

Here are presented investigations of powder and glass-like samples containing carbon nanoparticles, not intentionally doped and doped with Ag, Au and Co. The neutron diffraction study reveals an amorphous structure of the samples doped with Au and Co, as well as the magnetic scattering due to a long-range FM order in the Co-doped sample. The composition and molecular structure of the sample doped with Au is clarified with the NMR investigations. The temperature dependence of the magnetization, M (T), exhibits large irreversibility in low fields of B=1-7 mT. M (B) saturates already above 2 T at high temperatures, but deviates from the saturation behavior below 50 (150 K). Magnetic hysteresis is observed already at 300 K and exhibits a power-law temperature decay of the coercive field, Bc (T). The macroscopic behavior above is typical of an assembly of partially blocked magnetic nanoparticles. The values of the saturation magnetization, Ms, and the blocking temperature, Tb, are obtained as well. However, the hysteresis loop in the Co-doped sample differs from that in other samples, and the values of Bc and Ms are noticeably increased.

Effects of soda-lime-silica waste glass on mullite formation kinetics and micro-structures development in vitreous ceramics.

PubMed

Marinoni, Nicoletta; D'Alessio, Daniela; Diella, Valeria; Pavese, Alessandro; Francescon, Ferdinando

2013-07-30

The effects of soda-lime waste glass, from the recovery of bottle glass cullet, in partial replacement of Na-feldspar for sanitary-ware ceramic production are discussed. Attention is paid to the mullite growth kinetics and to the macroscopic properties of the final output, the latter ones depending on the developed micro-structures and vitrification grade. Measurements have been performed by in situ high temperature X-ray powder diffraction, scanning electron microscopy, thermal dilatometry, water absorption and mechanical testing. Glass substituting feldspar from 30 to 50 wt% allows one (i) to accelerate the mullite growth reaction kinetics, and (ii) to achieve macroscopic features of the ceramic output that comply with the latest technical requirements. The introduction of waste glass leads to (i) a general saving of fuel and reduction of the CO2-emissions during the firing stage, (ii) a preservation of mineral resources in terms of feldspars, and (iii) an efficient management of the bottle glass refuse by readdressing a part of it in the sanitary-ware manufacturing. Copyright © 2013 Elsevier Ltd. All rights reserved.

Carbon nanotube filters

NASA Astrophysics Data System (ADS)

Srivastava, A.; Srivastava, O. N.; Talapatra, S.; Vajtai, R.; Ajayan, P. M.

2004-09-01

Over the past decade of nanotube research, a variety of organized nanotube architectures have been fabricated using chemical vapour deposition. The idea of using nanotube structures in separation technology has been proposed, but building macroscopic structures that have controlled geometric shapes, density and dimensions for specific applications still remains a challenge. Here we report the fabrication of freestanding monolithic uniform macroscopic hollow cylinders having radially aligned carbon nanotube walls, with diameters and lengths up to several centimetres. These cylindrical membranes are used as filters to demonstrate their utility in two important settings: the elimination of multiple components of heavy hydrocarbons from petroleum-a crucial step in post-distillation of crude oil-with a single-step filtering process, and the filtration of bacterial contaminants such as Escherichia coli or the nanometre-sized poliovirus (~25 nm) from water. These macro filters can be cleaned for repeated filtration through ultrasonication and autoclaving. The exceptional thermal and mechanical stability of nanotubes, and the high surface area, ease and cost-effective fabrication of the nanotube membranes may allow them to compete with ceramic- and polymer-based separation membranes used commercially.

Carbon nanotube filters.

PubMed

Srivastava, A; Srivastava, O N; Talapatra, S; Vajtai, R; Ajayan, P M

2004-09-01

Over the past decade of nanotube research, a variety of organized nanotube architectures have been fabricated using chemical vapour deposition. The idea of using nanotube structures in separation technology has been proposed, but building macroscopic structures that have controlled geometric shapes, density and dimensions for specific applications still remains a challenge. Here we report the fabrication of freestanding monolithic uniform macroscopic hollow cylinders having radially aligned carbon nanotube walls, with diameters and lengths up to several centimetres. These cylindrical membranes are used as filters to demonstrate their utility in two important settings: the elimination of multiple components of heavy hydrocarbons from petroleum-a crucial step in post-distillation of crude oil-with a single-step filtering process, and the filtration of bacterial contaminants such as Escherichia coli or the nanometre-sized poliovirus ( approximately 25 nm) from water. These macro filters can be cleaned for repeated filtration through ultrasonication and autoclaving. The exceptional thermal and mechanical stability of nanotubes, and the high surface area, ease and cost-effective fabrication of the nanotube membranes may allow them to compete with ceramic- and polymer-based separation membranes used commercially.

Visualizing spatial correlation: structural and electronic orders in iron-based superconductors on atomic scale

NASA Astrophysics Data System (ADS)

Maksov, Artem; Ziatdinov, Maxim; Li, Li; Sefat, Athena; Maksymovych, Petro; Kalinin, Sergei

Crystalline matter on the nanoscale level often exhibits strongly inhomogeneous structural and electronic orders, which have a profound effect on macroscopic properties. This may be caused by subtle interplay between chemical disorder, strain, magnetic, and structural order parameters. We present a novel approach based on combination of high resolution scanning tunneling microscopy/spectroscopy (STM/S) and deep data style analysis for automatic separation, extraction, and correlation of structural and electronic behavior which might lead us to uncovering the underlying sources of inhomogeneity in in iron-based family of superconductors (FeSe, BaFe2As2) . We identify STS spectral features using physically robust Bayesian linear unmixing, and show their direct relevance to the fundamental physical properties of the system, including electronic states associated with individual defects and impurities. We collect structural data from individual unit cells on the crystalline lattice, and calculate both global and local indicators of spatial correlation with electronic features, demonstrating, for the first time, a direct quantifiable connection between observed structural order parameters extracted from the STM data and electronic order parameters identified within the STS data. This research was sponsored by the Division of Materials Sciences and Engineering, Office of Science, Basic Energy Sciences, US DOE.

3D-Printed Ultratough Hydrogel Structures with Titin-like Domains.

PubMed

Zhu, Fengbo; Cheng, Libo; Wang, Zhi Jian; Hong, Wei; Wu, Zi Liang; Yin, Jun; Qian, Jin; Zheng, Qiang

2017-04-05

Titin is composed of repeated modular domains which unfold and dissipate energy upon loading. Here we employed such molecular-level paradigm to fabricate macroscopic ultratough hydrogel structures with titin-like domains, enabled by three-dimensional printing with multiple nozzles. Under stretch, the relatively thin and weak gel fibers in the printed structures break first and the hidden lengths postpone the failure of the main structures, mimicking the toughening principle in titin. These titin-like folded domains have been incorporated into a synthetic spider-web, which shows significantly enhanced extensibility and toughness. This work provides a new avenue of topological design for materials/structures with desired properties.

Monolithic Hierarchical Fractal Assemblies of Silica Nanoparticles Cross-Linked with Polynorbornene via ROMP: A Structure-Property Correlation from Molecular to Bulk through Nano

DTIC Science & Technology

2012-08-23

are referred to as aerogels , and despite an impressive collection of attrcative macroscopic proporties, gragility has been the primary drawback to...applications. In that regard, polymer-cross-linked silica aerogels have emerged as strong lightweight nanostructured alternatives rendering new...applications unrelated to aerogels before, as in balistic protection, possible. However, the exact location of the polymer ion the elementary structure of

Microbially induced sedimentary structures recording an ancient ecosystem in the ca. 3.48 billion-year-old Dresser Formation, Pilbara, Western Australia.

PubMed

Noffke, Nora; Christian, Daniel; Wacey, David; Hazen, Robert M

2013-12-01

Microbially induced sedimentary structures (MISS) result from the response of microbial mats to physical sediment dynamics. MISS are cosmopolitan and found in many modern environments, including shelves, tidal flats, lagoons, riverine shores, lakes, interdune areas, and sabkhas. The structures record highly diverse communities of microbial mats and have been reported from numerous intervals in the geological record up to 3.2 billion years (Ga) old. This contribution describes a suite of MISS from some of the oldest well-preserved sedimentary rocks in the geological record, the early Archean (ca. 3.48 Ga) Dresser Formation, Western Australia. Outcrop mapping at the meter to millimeter scale defined five sub-environments characteristic of an ancient coastal sabkha. These sub-environments contain associations of distinct macroscopic and microscopic MISS. Macroscopic MISS include polygonal oscillation cracks and gas domes, erosional remnants and pockets, and mat chips. Microscopic MISS comprise tufts, sinoidal structures, and laminae fabrics; the microscopic laminae are composed of primary carbonaceous matter, pyrite, and hematite, plus trapped and bound grains. Identical suites of MISS occur in equivalent environmental settings through the entire subsequent history of Earth including the present time. This work extends the geological record of MISS by almost 300 million years. Complex mat-forming microbial communities likely existed almost 3.5 billion years ago.

Folding, But Not Surface Area Expansion, Is Associated with Cellular Morphological Maturation in the Fetal Cerebral Cortex

PubMed Central

Studholme, Colin; Frias, Antonio E.

2017-01-01

Altered macroscopic anatomical characteristics of the cerebral cortex have been identified in individuals affected by various neurodevelopmental disorders. However, the cellular developmental mechanisms that give rise to these abnormalities are not understood. Previously, advances in image reconstruction of diffusion magnetic resonance imaging (MRI) have made possible high-resolution in utero measurements of water diffusion anisotropy in the fetal brain. Here, diffusion anisotropy within the developing fetal cerebral cortex is longitudinally characterized in the rhesus macaque, focusing on gestation day (G85) through G135 of the 165 d term. Additionally, for subsets of animals characterized at G90 and G135, immunohistochemical staining was performed, and 3D structure tensor analyses were used to identify the cellular processes that most closely parallel changes in water diffusion anisotropy with cerebral cortical maturation. Strong correlations were found between maturation of dendritic arbors on the cellular level and the loss of diffusion anisotropy with cortical development. In turn, diffusion anisotropy changes were strongly associated both regionally and temporally with cortical folding. Notably, the regional and temporal dependence of diffusion anisotropy and folding were distinct from the patterns observed for cerebral cortical surface area expansion. These findings strengthen the link proposed in previous studies between cellular-level changes in dendrite morphology and noninvasive diffusion MRI measurements of the developing cerebral cortex and support the possibility that, in gyroencephalic species, structural differentiation within the cortex is coupled to the formation of gyri and sulci. SIGNIFICANCE STATEMENT Abnormal brain morphology has been found in populations with neurodevelopmental disorders. However, the mechanisms linking cellular level and macroscopic maturation are poorly understood, even in normal brains. This study contributes new understanding to this subject using serial in utero MRI measurements of rhesus macaque fetuses, from which macroscopic and cellular information can be derived. We found that morphological differentiation of dendrites was strongly associated both regionally and temporally with folding of the cerebral cortex. Interestingly, parallel associations were not observed with cortical surface area expansion. These findings support the possibility that perturbed morphological differentiation of cells within the cortex may underlie abnormal macroscopic characteristics of individuals affected by neurodevelopmental disorders. PMID:28069920

The Neonatal Connectome During Preterm Brain Development

PubMed Central

van den Heuvel, Martijn P.; Kersbergen, Karina J.; de Reus, Marcel A.; Keunen, Kristin; Kahn, René S.; Groenendaal, Floris; de Vries, Linda S.; Benders, Manon J.N.L.

2015-01-01

The human connectome is the result of an elaborate developmental trajectory. Acquiring diffusion-weighted imaging and resting-state fMRI, we studied connectome formation during the preterm phase of macroscopic connectome genesis. In total, 27 neonates were scanned at week 30 and/or week 40 gestational age (GA). Examining the architecture of the neonatal anatomical brain network revealed a clear presence of a small-world modular organization before term birth. Analysis of neonatal functional connectivity (FC) showed the early formation of resting-state networks, suggesting that functional networks are present in the preterm brain, albeit being in an immature state. Moreover, structural and FC patterns of the neonatal brain network showed strong overlap with connectome architecture of the adult brain (85 and 81%, respectively). Analysis of brain development between week 30 and week 40 GA revealed clear developmental effects in neonatal connectome architecture, including a significant increase in white matter microstructure (P < 0.01), small-world topology (P < 0.01) and interhemispheric FC (P < 0.01). Computational analysis further showed that developmental changes involved an increase in integration capacity of the connectivity network as a whole. Taken together, we conclude that hallmark organizational structures of the human connectome are present before term birth and subject to early development. PMID:24833018

An effective rate equation approach to reaction kinetics in small volumes: theory and application to biochemical reactions in nonequilibrium steady-state conditions.

PubMed

Grima, R

2010-07-21

Chemical master equations provide a mathematical description of stochastic reaction kinetics in well-mixed conditions. They are a valid description over length scales that are larger than the reactive mean free path and thus describe kinetics in compartments of mesoscopic and macroscopic dimensions. The trajectories of the stochastic chemical processes described by the master equation can be ensemble-averaged to obtain the average number density of chemical species, i.e., the true concentration, at any spatial scale of interest. For macroscopic volumes, the true concentration is very well approximated by the solution of the corresponding deterministic and macroscopic rate equations, i.e., the macroscopic concentration. However, this equivalence breaks down for mesoscopic volumes. These deviations are particularly significant for open systems and cannot be calculated via the Fokker-Planck or linear-noise approximations of the master equation. We utilize the system-size expansion including terms of the order of Omega(-1/2) to derive a set of differential equations whose solution approximates the true concentration as given by the master equation. These equations are valid in any open or closed chemical reaction network and at both the mesoscopic and macroscopic scales. In the limit of large volumes, the effective mesoscopic rate equations become precisely equal to the conventional macroscopic rate equations. We compare the three formalisms of effective mesoscopic rate equations, conventional rate equations, and chemical master equations by applying them to several biochemical reaction systems (homodimeric and heterodimeric protein-protein interactions, series of sequential enzyme reactions, and positive feedback loops) in nonequilibrium steady-state conditions. In all cases, we find that the effective mesoscopic rate equations can predict very well the true concentration of a chemical species. This provides a useful method by which one can quickly determine the regions of parameter space in which there are maximum differences between the solutions of the master equation and the corresponding rate equations. We show that these differences depend sensitively on the Fano factors and on the inherent structure and topology of the chemical network. The theory of effective mesoscopic rate equations generalizes the conventional rate equations of physical chemistry to describe kinetics in systems of mesoscopic size such as biological cells.

Finite element study of scaffold architecture design and culture conditions for tissue engineering.

PubMed

Olivares, Andy L; Marsal, Elia; Planell, Josep A; Lacroix, Damien

2009-10-01

Tissue engineering scaffolds provide temporary mechanical support for tissue regeneration and transfer global mechanical load to mechanical stimuli to cells through its architecture. In this study the interactions between scaffold pore morphology, mechanical stimuli developed at the cell microscopic level, and culture conditions applied at the macroscopic scale are studied on two regular scaffold structures. Gyroid and hexagonal scaffolds of 55% and 70% porosity were modeled in a finite element analysis and were submitted to an inlet fluid flow or compressive strain. A mechanoregulation theory based on scaffold shear strain and fluid shear stress was applied for determining the influence of each structures on the mechanical stimuli on initial conditions. Results indicate that the distribution of shear stress induced by fluid perfusion is very dependent on pore distribution within the scaffold. Gyroid architectures provide a better accessibility of the fluid than hexagonal structures. Based on the mechanoregulation theory, the differentiation process in these structures was more sensitive to inlet fluid flow than axial strain of the scaffold. This study provides a computational approach to determine the mechanical stimuli at the cellular level when cells are cultured in a bioreactor and to relate mechanical stimuli with cell differentiation.

Analysis of achievable disturbance attenuation in a precision magnetically-suspended motion control system

NASA Technical Reports Server (NTRS)

Kuzin, Alexander V.; Holmes, Michael L.; Behrouzjou, Roxana; Trumper, David L.

1994-01-01

The results of the analysis of the achievable disturbance attenuation to get an Angstrom motion control resolution and macroscopic travel in a precision magnetically-suspended motion control system are presented in this paper. Noise sources in the transducers, electronics, and mechanical vibrations are used to develop the control design.

Brain tissues atrophy is not always the best structural biomarker of physiological aging: A multimodal cross-sectional study.

PubMed

Cherubini, Andrea; Caligiuri, Maria Eugenia; Péran, Patrice; Sabatini, Umberto; Cosentino, Carlo; Amato, Francesco

2015-01-01

This study presents a voxel-based multiple regression analysis of different magnetic resonance image modalities, including anatomical T1-weighted, T2* relaxometry, and diffusion tensor imaging. Quantitative parameters sensitive to complementary brain tissue alterations, including morphometric atrophy, mineralization, microstructural damage, and anisotropy loss, were compared in a linear physiological aging model in 140 healthy subjects (range 20-74 years). The performance of different predictors and the identification of the best biomarker of age-induced structural variation were compared without a priori anatomical knowledge. The best quantitative predictors in several brain regions were iron deposition and microstructural damage, rather than macroscopic tissue atrophy. Age variations were best resolved with a combination of markers, suggesting that multiple predictors better capture age-induced tissue alterations. These findings highlight the importance of a combined evaluation of multimodal biomarkers for the study of aging and point to a number of novel applications for the method described.

Molecular structure and vibrational spectra of Bis(melaminium) terephthalate dihydrate: A DFT computational study

NASA Astrophysics Data System (ADS)

Tanak, Hasan; Marchewka, Mariusz K.; Drozd, Marek

2013-03-01

The experimental and theoretical vibrational spectra of Bis(melaminium) terephthalate dihydrate were studied. The Fourier transform infrared (FT-IR) spectra of the Bis(melaminium) terephthalate dihydrate and its deuterated analogue were recorded in the solid phase. The molecular geometry and vibrational frequencies of Bis(melaminium) terephthalate dihydrate in the ground state have been calculated by using the density functional method (B3LYP) with 6-31++G(d,p) basis set. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. The molecule contains the weak hydrogen bonds of Nsbnd H⋯O, Nsbnd H⋯N and Osbnd H⋯O types, and those bonds are calculated with DFT method. In addition, molecular electrostatic potential, frontier molecular orbitals and natural bond orbital analysis of the title compound were investigated by theoretical calculations. The lack of the second harmonic generation (SHG) confirms the presence of macroscopic center of inversion.

Molecular structure and vibrational spectra of Bis(melaminium) terephthalate dihydrate: a DFT computational study.

PubMed

Tanak, Hasan; Marchewka, Mariusz K; Drozd, Marek

2013-03-15

The experimental and theoretical vibrational spectra of Bis(melaminium) terephthalate dihydrate were studied. The Fourier transform infrared (FT-IR) spectra of the Bis(melaminium) terephthalate dihydrate and its deuterated analogue were recorded in the solid phase. The molecular geometry and vibrational frequencies of Bis(melaminium) terephthalate dihydrate in the ground state have been calculated by using the density functional method (B3LYP) with 6-31++G(d,p) basis set. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. The molecule contains the weak hydrogen bonds of N-H···O, N-H···N and O-H···O types, and those bonds are calculated with DFT method. In addition, molecular electrostatic potential, frontier molecular orbitals and natural bond orbital analysis of the title compound were investigated by theoretical calculations. The lack of the second harmonic generation (SHG) confirms the presence of macroscopic center of inversion. Copyright © 2012 Elsevier B.V. All rights reserved.

A multiscale model for reinforced concrete with macroscopic variation of reinforcement slip

NASA Astrophysics Data System (ADS)

Sciegaj, Adam; Larsson, Fredrik; Lundgren, Karin; Nilenius, Filip; Runesson, Kenneth

2018-06-01

A single-scale model for reinforced concrete, comprising the plain concrete continuum, reinforcement bars and the bond between them, is used as a basis for deriving a two-scale model. The large-scale problem, representing the "effective" reinforced concrete solid, is enriched by an effective reinforcement slip variable. The subscale problem on a Representative Volume Element (RVE) is defined by Dirichlet boundary conditions. The response of the RVEs of different sizes was investigated by means of pull-out tests. The resulting two-scale formulation was used in an FE^2 analysis of a deep beam. Load-deflection relations, crack widths, and strain fields were compared to those obtained from a single-scale analysis. Incorporating the independent macroscopic reinforcement slip variable resulted in a more pronounced localisation of the effective strain field. This produced a more accurate estimation of the crack widths than the two-scale formulation neglecting the effective reinforcement slip variable.

Some wear studies on aircraft brake systems

NASA Technical Reports Server (NTRS)

Ho, T. L.

1975-01-01

An initial investigation of worn surfaces in friction pads and steel rotors used in current aircraft brakes was carried out using electron microprobe and X-ray diffraction analysis. It consists of the topographical study and the analysis of chemical element distribution. Based upon this initial examination, two approaches, microscopic and macroscopic have been conducted to interpret and formulate the wear mechanism of the aircraft brake materials. Microscopically, the wear particles were examined. The initiation and growth of surface cracks and the oxidation were emphasized in this investigation. Macroscopically, it has been found that, for the current copper based brake material sliding against 17-22 AS steel in a caliper brake, the surface temperature raised due to frictional heat is nonlinearly proportional to the load applied and slide time with speed at 1750 rpm. The wear of brake materials is then proportional to this temperature and is also a function of the melting temperature for copper.

Clustering and assembly dynamics of a one-dimensional microphase former.

PubMed

Hu, Yi; Charbonneau, Patrick

2018-05-23

Both ordered and disordered microphases ubiquitously form in suspensions of particles that interact through competing short-range attraction and long-range repulsion (SALR). While ordered microphases are more appealing materials targets, understanding the rich structural and dynamical properties of their disordered counterparts is essential to controlling their mesoscale assembly. Here, we study the disordered regime of a one-dimensional (1D) SALR model, whose simplicity enables detailed analysis by transfer matrices and Monte Carlo simulations. We first characterize the signature of the clustering process on macroscopic observables, and then assess the equilibration dynamics of various simulation algorithms. We notably find that cluster moves markedly accelerate the mixing time, but that event chains are of limited help in the clustering regime. These insights will inspire further study of three-dimensional microphase formers.

Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic

NASA Astrophysics Data System (ADS)

Lovchinsky, I.; Sushkov, A. O.; Urbach, E.; de Leon, N. P.; Choi, S.; De Greve, K.; Evans, R.; Gertner, R.; Bersin, E.; Müller, C.; McGuinness, L.; Jelezko, F.; Walsworth, R. L.; Park, H.; Lukin, M. D.

2016-02-01

Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition.

Nanoscale Morphology to Macroscopic Performance in Ultra High Molecular Weight Polyethylene Fibers

NASA Astrophysics Data System (ADS)

McDaniel, Preston B.

Ultra high molecular weight polyethylene (UHMWPE) fibers are increasingly used in high -performance applications where strength, stiffness, and the ability to dissipate energy are of critical importance. Despite their use in a variety of applications, the influence of morphological features at the meso/nanoscale on the macroscopic performance of the fibers has not been well understood. There is particular interest in gaining a better understanding of the nanoscale structure-property relationships in UHMWPE fibers used in ballistics applications. In order to accurately model and predict failure in the fiber, a more complete understanding of the complex load pathways that dictate the ways in which load is transferred through the fiber, across interfaces and length scales is required. The goal of the work discussed herein is to identify key meso/nanostructural features evolved in high performance fibers and determine how these features influence the performance of the fiber through a variety of different loading mechanisms. The important structural features in high-performance UHMWPE fibers are first identified through examination of the meso/nanostructure of a series of fibers with different processing conditions. This is achieved primarily through the use of wide-angle x-ray diffraction (WAXD) and atomic force microscopy (AFM). Analysis of AFM images and WAXD data allows identification and quantifications of important structural features at these length scales. Key meso/nanostructural features are then examined with respect to their influence on the transverse compression behavior of single fibers. Through post-mortem AFM analysis of samples at incremental compressive strains, the evolution of damage is examined and compared with macroscopic fiber mechanical response. It was found that collapse of mesoscale voids, followed by nanoscale fibrillation and reorganization of a fibrillar network has a significant influence on the mechanical response of the fiber. Through this work, the importance of nanoscale fibril adhesive interactions is highlighted. However, very little information exists in the literature as to the nature and magnitude of these interactions. Examination of nanoscale fibrillar adhesive interactions is experimentally difficult, and necessitated the development of an AFM based nanoscale splitting technique to quantify the interactions between fibrils. Through analysis of split geometry and careful partitioning of energies, the adhesive energy between fibrils in UHMWPE fibers are determined. The calculated average adhesive energies are significantly larger than the estimated energy due to van der Waals interactions, suggesting that there are physical connections (e.g., tie chains, tie fibrils, and lamellar crystalline bridges) that influence the interactions between fibrils. The interactions identified through this work are believed to be responsible for the creation of load pathways across fibril interfaces where load may be translated through the fiber in tension, compression, and shear. Finally, the nature of the mesoscale fibrillar network is explored through the development of a variable angle, single fiber peel test. This peel test enables the quantification of Mode I and Mode II peel energies. The modes of deformation observed in the peel test are representative of the mechanisms experienced during tensile and transverse compression loading. The quantification of peel energies in both Mode I and Mode II failure highlight the importance of the fibrillar network as a key mechanism for the translation of load through the fiber. In both modes of failure, the fibril network acts as a framework for the orientation and subsequent failure of nanoscale fibrils.

Effect of low-dose irradiation on structural and mechanical properties of hyaline cartilage-like fibrocartilage.

PubMed

Öncan, Tevfik; Demirağ, Burak; Ermutlu, Cenk; Yalçinkaya, Ulviye; Özkan, Lütfü

2013-01-01

The aim of this study was to analyze the effect of low-dose irradiation on fibrous cartilage and to obtain a hyaline cartilage-like fibrocartilage (HCLF) with similar structural and mechanical properties to hyaline cartilage. An osteochondral defect was created in 40 knees of 20 rabbits. At the 7th postoperative day, a single knee of each rabbit was irradiated with a total dose of 5.0 Gy in 1.0 Gy fractions for 5 days (radiotherapy group), while the other knee was not irradiated (control group). Rabbits were then divided into four groups of 5 rabbits each. The first three groups were sacrificed at the 4th, 8th and the 12th postoperative weeks and cartilage defects were macroscopically and microscopically evaluated. The remaining group of 5 rabbits was sacrificed at the 12th week and biomechanical compression tests were performed on the cartilage defects. There was no significant biomechanical difference between the radiotherapy and the control group (p=0.686). There was no significant macroscopic and microscopic difference between groups (p=0.300). Chondrocyte clustering was observed in the irradiated group. Low-dose irradiation does not affect the mechanical properties of HCLF in vivo. However, structural changes such as chondrocyte clustering were observed.

Reliable landmarks for precise topographical analyses of pathological structural changes of the ovine tibial plateau in 2-D and 3-D subspaces.

PubMed

Oláh, Tamás; Reinhard, Jan; Gao, Liang; Goebel, Lars K H; Madry, Henning

2018-01-08

Selecting identical topographical locations to analyse pathological structural changes of the osteochondral unit in translational models remains difficult. The specific aim of the study was to provide objectively defined reference points on the ovine tibial plateau based on 2-D sections of micro-CT images useful for reproducible sample harvesting and as standardized landmarks for landmark-based 3-D image registration. We propose 5 reference points, 11 reference lines and 12 subregions that are detectable macroscopically and on 2-D micro-CT sections. Their value was confirmed applying landmark-based rigid and affine 3-D registration methods. Intra- and interobserver comparison showed high reliabilities, and constant positions (standard errors < 1%). Spatial patterns of the thicknesses of the articular cartilage and subchondral bone plate were revealed by measurements in 96 individual points of the tibial plateau. As a case study, pathological phenomena 6 months following OA induction in vivo such as osteophytes and areas of OA development were mapped to the individual subregions. These new reference points and subregions are directly identifiable on tibial plateau specimens or macroscopic images, enabling a precise topographical location of pathological structural changes of the osteochondral unit in both 2-D and 3-D subspaces in a region-appropriate fashion relevant for translational investigations.

Polymer blends made of poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) and epoxidized natural rubber: Thermal and mechanical response

NASA Astrophysics Data System (ADS)

Salim, Yoga Sugama; Han, Chan Chin; Kammer, Hans-Werner; Kumar, Sudesh; Neon, Gan Seng

2015-08-01

The ever-increasing demand of biodegradable over conventional polymers places microbial polyhydroxyalkanoates (PHA) as an ideal choice of research material for specific applications. In this study, polymer blends made of poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) [P(3HB-co-3HHx) and epoxidized natural rubber (ENR) were prepared using solution casting technique. The influence of ENR on thermal, morphological and mechanical properties of P(3HB-co-3HHx) was investigated. There are two glass transition (Tg) temperatures observed using differential scanning calorimeter. This indicates that P(3HB-co-3HHx) and ENR are immiscible at macroscopic level. Although the Tg of P(3HB-co-3HHx) is seen to shift toward ENR in the least manner, infrared analysis suggests that the crystal structure of P(3HB-co-3HHx) retains its conformational structure. In terms of morphology, ENR exists as droplets in P(3HB-co-3HHx)-rich phase, e.g. at ENR weight fraction (wENR) of 0.3. In dynamic mechanical analysis, all blend compositions exhibit solid-like behavior, with storage moduli larger than loss moduli, across the frequency sweep at room temperature.

Mechanisms governing brittle fault mechanics - a multi-scale study from the Permian Khao-Kwang fold-and-thrust belt, Thailand

NASA Astrophysics Data System (ADS)

von Hagke, Christoph; Morley, Chris; Kanitpanyacharoen, Waruntorn

2017-04-01

Despite our qualitative understanding of factors contributing to thrust and detachment weakness such as mineralogy, pore fluid pressure, or efficiency of structure localization, it is difficult to assess the contribution of the individual factors. Here we present multi-scale analysis of a mixed clay / carbonate high displacement (kms of heave) thrust zone, where it is possible to study structures formed within a similar temperature and pressure regime, and thus only varying due to lithological contrasts. We mapped the well-exposed thrust zone in a large quarry at outcrop scale in five separate sections present along a strike-distance of 1 km. The thrust zone shows considerable variations in structural style, as well as localization within different clay and limestone horizons. Zones of low and high strain have been identified. We investigate these changes in macroscopic deformation style using Virtual Polarizing Microscopy, and the combined methods of Broad Ion Beam milling and Scanning Electron Microscopy in addition with XRD analysis. We characterize structural and mineralogical variations in the thrust zone at all scales, from outcrop down to nano-meters. Results show strain localization is heterogeneous, with strong variations along strike. Within the clay package, strain localizes along zones rich in organic matter. Microstructures are complex, and show multiple deformation events, including crack-seal processes and reworking of vein material. Pressure solution is dominant. XRD analysis shows mineralogical differences between zones of high and low strain within the shale-dominated package. However, highest strain does not only occur in the clay units, but partly is accommodated in the surrounding limestone.

Definitions of state variables and state space for brain-computer interface : Part 2. Extraction and classification of feature vectors.

PubMed

Freeman, Walter J

2007-06-01

The hypothesis is proposed that the central dynamics of the action-perception cycle has five steps: emergence from an existing macroscopic brain state of a pattern that predicts a future goal state; selection of a mesoscopic frame for action control; execution of a limb trajectory by microscopic spike activity; modification of microscopic cortical spike activity by sensory inputs; construction of mesoscopic perceptual patterns; and integration of a new macroscopic brain state. The basis is the circular causality between microscopic entities (neurons) and the mesoscopic and macroscopic entities (populations) self-organized by axosynaptic interactions. Self-organization of neural activity is bidirectional in all cortices. Upwardly the organization of mesoscopic percepts from microscopic spike input predominates in primary sensory areas. Downwardly the organization of spike outputs that direct specific limb movements is by mesoscopic fields constituting plans to achieve predicted goals. The mesoscopic fields in sensory and motor cortices emerge as frames within macroscopic activity. Part 1 describes the action-perception cycle and its derivative reflex arc qualitatively. Part 2 describes the perceptual limb of the arc from microscopic MSA to mesoscopic wave packets, and from these to macroscopic EEG and global ECoG fields that express experience-dependent knowledge in successive states. These macroscopic states are conceived to embed and control mesoscopic frames in premotor and motor cortices that are observed in local ECoG and LFP of frontoparietal areas. The fields sampled by ECoG and LFP are conceived as local patterns of neural activity in which trajectories of multiple spike activities (MSA) emerge that control limb movements. Mesoscopic frames are located by use of the analytic signal from the Hilbert transform after band pass filtering. The state variables in frames are measured to construct feature vectors by which to describe and classify frame patterns. Evidence is cited to justify use of linear analysis. The aim of the review is to enable researchers to conceive and identify goal-oriented states in brain activity for use as commands, in order to relegate the details of execution to adaptive control devices outside the brain.

Internal friction and absence of dilatancy of packings of frictionless polygons.

PubMed

Azéma, Émilien; Radjaï, Farhang; Roux, Jean-Noël

2015-01-01

By means of numerical simulations, we show that assemblies of frictionless rigid pentagons in slow shear flow possess an internal friction coefficient (equal to 0.183±0.008 with our choice of moderately polydisperse grains) but no macroscopic dilatancy. In other words, despite side-side contacts tending to hinder relative particle rotations, the solid fraction under quasistatic shear coincides with that of isotropic random close packings of pentagonal particles. Properties of polygonal grains are thus similar to those of disks in that respect. We argue that continuous reshuffling of the force-bearing network leads to frequent collapsing events at the microscale, thereby causing the macroscopic dilatancy to vanish. Despite such rearrangements, the shear flow favors an anisotropic structure that is at the origin of the ability of the system to sustain shear stress.

Scanning light-sheet microscopy in the whole mouse brain with HiLo background rejection.

PubMed

Mertz, Jerome; Kim, Jinhyun

2010-01-01

It is well known that light-sheet illumination can enable optically sectioned wide-field imaging of macroscopic samples. However, the optical sectioning capacity of a light-sheet macroscope is undermined by sample-induced scattering or aberrations that broaden the thickness of the sheet illumination. We present a technique to enhance the optical sectioning capacity of a scanning light-sheet microscope by out-of-focus background rejection. The technique, called HiLo microscopy, makes use of two images sequentially acquired with uniform and structured sheet illumination. An optically sectioned image is then synthesized by fusing high and low spatial frequency information from both images. The benefits of combining light-sheet macroscopy and HiLo background rejection are demonstrated in optically cleared whole mouse brain samples, using both green fluorescent protein (GFP)-fluorescence and dark-field scattered light contrast.

Scanning light-sheet microscopy in the whole mouse brain with HiLo background rejection

NASA Astrophysics Data System (ADS)

Mertz, Jerome; Kim, Jinhyun

2010-01-01

It is well known that light-sheet illumination can enable optically sectioned wide-field imaging of macroscopic samples. However, the optical sectioning capacity of a light-sheet macroscope is undermined by sample-induced scattering or aberrations that broaden the thickness of the sheet illumination. We present a technique to enhance the optical sectioning capacity of a scanning light-sheet microscope by out-of-focus background rejection. The technique, called HiLo microscopy, makes use of two images sequentially acquired with uniform and structured sheet illumination. An optically sectioned image is then synthesized by fusing high and low spatial frequency information from both images. The benefits of combining light-sheet macroscopy and HiLo background rejection are demonstrated in optically cleared whole mouse brain samples, using both green fluorescent protein (GFP)-fluorescence and dark-field scattered light contrast.

Structural changes of casein micelles in a calcium gradient film.

PubMed

Gebhardt, Ronald; Burghammer, Manfred; Riekel, Christian; Roth, Stephan Volkher; Müller-Buschbaum, Peter

2008-04-09

Calcium gradients are prepared by sequentially filling a micropipette with casein solutions of varying calcium concentration and spreading them on glass slides. The casein film is formed by a solution casting process, which results in a macroscopically rough surface. Microbeam grazing incidence small-angle X-ray scattering (microGISAXS) is used to investigate the lateral size distribution of three main components in casein films: casein micelles, casein mini-micelles, and micellar calcium phosphate. At length scales within the beam size the film surface is flat and detection of size distribution in a macroscopic casein gradient becomes accessible. The model used to analyze the data is based on a set of three log-normal distributed particle sizes. Increasing calcium concentration causes a decrease in casein micelle diameter while the size of casein mini-micelles increases and micellar calcium phosphate particles remain unchanged.

Measurement of elastic constants of monoclinic nickel-titanium and validation of first principles calculations

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

Stebner, A. P.; Brown, D. W.; Brinson, L. C.

2013-05-27

Polycrystalline, monoclinic nickel-titanium specimens were subjected to tensile and compressive deformations while neutron diffraction spectra were recorded in situ. Using these data, orientation-specific and macroscopic Young's moduli are determined from analysis of linear-elastic deformation exhibited by 13 unique orientations of monoclinic lattices and their relationships to each macroscopic stress and strain. Five of 13 elastic compliance constants are also identified: s{sub 11} = 1.15, s{sub 15} = -1.10, s{sub 22} = 1.34, s{sub 33} = 1.06, s{sub 35} = -1.54, all Multiplication-Sign 10{sup -2} GPa{sup -1}. Through these results, recent atomistic calculations of monoclinic nickel-titanium elastic constants are validated.

Phase Coexistence in Insect Swarms

NASA Astrophysics Data System (ADS)

Sinhuber, Michael; Ouellette, Nicholas T.

2017-10-01

Animal aggregations are visually striking, and as such are popular examples of collective behavior in the natural world. Quantitatively demonstrating the collective nature of such groups, however, remains surprisingly difficult. Inspired by thermodynamics, we applied topological data analysis to laboratory insect swarms and found evidence for emergent, material-like states. We show that the swarms consist of a core "condensed" phase surrounded by a dilute "vapor" phase. These two phases coexist in equilibrium, and maintain their distinct macroscopic properties even though individual insects pass freely between them. We further define a pressure and chemical potential to describe these phases, extending theories of active matter to aggregations of macroscopic animals and laying the groundwork for a thermodynamic description of collective animal groups.

Macroscopic relationship in primal-dual portfolio optimization problem

NASA Astrophysics Data System (ADS)

Shinzato, Takashi

2018-02-01

In the present paper, using a replica analysis, we examine the portfolio optimization problem handled in previous work and discuss the minimization of investment risk under constraints of budget and expected return for the case that the distribution of the hyperparameters of the mean and variance of the return rate of each asset are not limited to a specific probability family. Findings derived using our proposed method are compared with those in previous work to verify the effectiveness of our proposed method. Further, we derive a Pythagorean theorem of the Sharpe ratio and macroscopic relations of opportunity loss. Using numerical experiments, the effectiveness of our proposed method is demonstrated for a specific situation.

Probing noise in flux qubits via macroscopic resonant tunneling.

PubMed

Harris, R; Johnson, M W; Han, S; Berkley, A J; Johansson, J; Bunyk, P; Ladizinsky, E; Govorkov, S; Thom, M C; Uchaikin, S; Bumble, B; Fung, A; Kaul, A; Kleinsasser, A; Amin, M H S; Averin, D V

2008-09-12

Macroscopic resonant tunneling between the two lowest lying states of a bistable rf SQUID is used to characterize noise in a flux qubit. Measurements of the incoherent decay rate as a function of flux bias revealed a Gaussian-shaped profile that is not peaked at the resonance point but is shifted to a bias at which the initial well is higher than the target well. The rms amplitude of the noise, which is proportional to the dephasing rate 1/tauphi, was observed to be weakly dependent on temperature below 70 mK. Analysis of these results indicates that the dominant source of low energy flux noise in this device is a quantum mechanical environment in thermal equilibrium.

Forcing scheme analysis for the axisymmetric lattice Boltzmann method under incompressible limit.

PubMed

Zhang, Liangqi; Yang, Shiliang; Zeng, Zhong; Chen, Jie; Yin, Linmao; Chew, Jia Wei

2017-04-01

Because the standard lattice Boltzmann (LB) method is proposed for Cartesian Navier-Stokes (NS) equations, additional source terms are necessary in the axisymmetric LB method for representing the axisymmetric effects. Therefore, the accuracy and applicability of the axisymmetric LB models depend on the forcing schemes adopted for discretization of the source terms. In this study, three forcing schemes, namely, the trapezium rule based scheme, the direct forcing scheme, and the semi-implicit centered scheme, are analyzed theoretically by investigating their derived macroscopic equations in the diffusive scale. Particularly, the finite difference interpretation of the standard LB method is extended to the LB equations with source terms, and then the accuracy of different forcing schemes is evaluated for the axisymmetric LB method. Theoretical analysis indicates that the discrete lattice effects arising from the direct forcing scheme are part of the truncation error terms and thus would not affect the overall accuracy of the standard LB method with general force term (i.e., only the source terms in the momentum equation are considered), but lead to incorrect macroscopic equations for the axisymmetric LB models. On the other hand, the trapezium rule based scheme and the semi-implicit centered scheme both have the advantage of avoiding the discrete lattice effects and recovering the correct macroscopic equations. Numerical tests applied for validating the theoretical analysis show that both the numerical stability and the accuracy of the axisymmetric LB simulations are affected by the direct forcing scheme, which indicate that forcing schemes free of the discrete lattice effects are necessary for the axisymmetric LB method.

Instability of cooperative adaptive cruise control traffic flow: A macroscopic approach

NASA Astrophysics Data System (ADS)

Ngoduy, D.

2013-10-01

This paper proposes a macroscopic model to describe the operations of cooperative adaptive cruise control (CACC) traffic flow, which is an extension of adaptive cruise control (ACC) traffic flow. In CACC traffic flow a vehicle can exchange information with many preceding vehicles through wireless communication. Due to such communication the CACC vehicle can follow its leader at a closer distance than the ACC vehicle. The stability diagrams are constructed from the developed model based on the linear and nonlinear stability method for a certain model parameter set. It is found analytically that CACC vehicles enhance the stabilization of traffic flow with respect to both small and large perturbations compared to ACC vehicles. Numerical simulation is carried out to support our analytical findings. Based on the nonlinear stability analysis, we will show analytically and numerically that the CACC system better improves the dynamic equilibrium capacity over the ACC system. We have argued that in parallel to microscopic models for CACC traffic flow, the newly developed macroscopic will provide a complete insight into the dynamics of intelligent traffic flow.

[Furuncular myiasis caused by Dermatobia hominis. Fortuitous diagnosis on extemporaneous macroscopic analysis of an excised cutaneous nodule].

PubMed

Hirsch, G; Jeandel, R; Biechler, M; Boivin, J-F; Hillion, B

2015-12-01

Furuncular myiasis is a parasitic disease caused by the development of human botfly larva in the skin. It affects people living in tropical countries and travelers returning from these countries and concerns a number of medical specialties. One form of treatment involves surgical extraction of the parasites. We report the case of a 47-year-old man returning from Guyana presenting two furuncle-like nodules of the skin on the right buttock and on the right shoulder blade. Extemporaneous intraoperative macroscopic examination of the buttock nodule resulted in diagnosis of myiasis caused by the human botfly, Dermatobia hominis. The diagnosis of furuncular myiasis is made primarily on clinical grounds and should be suspected on observation of an abscess in subjects returning from a tropical region. It is consequently rare to find D. hominis in biopsy specimens. In the present case, macroscopic examination showed an extremely rare image of the edge of the intact larva in a longitudinal cut, which to our knowledge has never been published to date. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

[Monilethrix--rare syndrome of structural hair abnormalities].

PubMed

Brzezińska-Wcisło, L; Bogdanowski, T; Szeremeta-Bazylewicz, G; Pierzchała, E

1999-11-01

Monilethrix is a rare structural disorder of hair. Characteristic abnormalities in the form of alternating thinning and fusiform thickening are observed in most of hair shafts that we call beaded hair. Macroscopic estimation shows lustreless, dry, rough, fragile hair. Trichological examination usually reveals a considerable percentage of anagenic hair. According to our own experiences and literature data systemic therapy (vitamins) and topical treatment (desquamative ointments) are not effective sufficiently. Spontaneous regression of symptoms often appears with time. Five cases of familial occurrence of monilethrix have been presented.

The Redox Proteome*

PubMed Central

Go, Young-Mi; Jones, Dean P.

2013-01-01

The redox proteome consists of reversible and irreversible covalent modifications that link redox metabolism to biologic structure and function. These modifications, especially of Cys, function at the molecular level in protein folding and maturation, catalytic activity, signaling, and macromolecular interactions and at the macroscopic level in control of secretion and cell shape. Interaction of the redox proteome with redox-active chemicals is central to macromolecular structure, regulation, and signaling during the life cycle and has a central role in the tolerance and adaptability to diet and environmental challenges. PMID:23861437

Comprehensive Micromechanics-Analysis Code - Version 4.0

NASA Technical Reports Server (NTRS)

Arnold, S. M.; Bednarcyk, B. A.

2005-01-01

Version 4.0 of the Micromechanics Analysis Code With Generalized Method of Cells (MAC/GMC) has been developed as an improved means of computational simulation of advanced composite materials. The previous version of MAC/GMC was described in "Comprehensive Micromechanics-Analysis Code" (LEW-16870), NASA Tech Briefs, Vol. 24, No. 6 (June 2000), page 38. To recapitulate: MAC/GMC is a computer program that predicts the elastic and inelastic thermomechanical responses of continuous and discontinuous composite materials with arbitrary internal microstructures and reinforcement shapes. The predictive capability of MAC/GMC rests on a model known as the generalized method of cells (GMC) - a continuum-based model of micromechanics that provides closed-form expressions for the macroscopic response of a composite material in terms of the properties, sizes, shapes, and responses of the individual constituents or phases that make up the material. Enhancements in version 4.0 include a capability for modeling thermomechanically and electromagnetically coupled ("smart") materials; a more-accurate (high-fidelity) version of the GMC; a capability to simulate discontinuous plies within a laminate; additional constitutive models of materials; expanded yield-surface-analysis capabilities; and expanded failure-analysis and life-prediction capabilities on both the microscopic and macroscopic scales.

A two scale modeling and computational framework for vibration-induced Raynaud syndrome.

PubMed

Hua, Yue; Lemerle, Pierre; Ganghoffer, Jean-François

2017-07-01

Hand-Arm Vibration syndrome (HAVS), usually caused by long-term use of hand-held power tools, can in certain manifestations alter the peripheral blood circulation in the hand-arm region. HAVS typically occurs after exposure to cold, causing an abnormally strong vasoconstriction of blood vessels. A pathoanatomical mechanism suggests that a reduction of the lumen of the blood vessels in VWF (Vibration White Finger) subjects, due to either hypertrophy or thickening of the vessel wall, may be at the origin of the disease. However, the direct and indirect effects of the load of the hand-held tools on the structure of blood vessels remain controversial:.one hypothesis is the mechanical action of vibration on the local acral dysregulation and/or on the vessel histomorphological modifications. Another hypothesis is the participation of the sympathetic nervous system to this dysregulation. In this paper, we assume the modifications as mechanobiological growth and the load-effect relationship may be interpreted as directly or indirectly induced. This work is the first attempt to model the effect of vibration through soft tissues onto the distal capillaries, addressing the double paradigm of multi space-time scales, i.e. low period vibration versus high time constant of the growth phenomenon as well as vibrations propagating in the macroscopic tissue including the microscopic capillary structures subjected to a pathological microstructural evolution. The objective is to lay down the theoretical basis of growth modeling for the small distal artery, with the ability to predict the geometrical and structural changes of the arterial walls caused by vibration exposure. We adopt the key idea of splitting the problem into one global vibration problem at the macroscopic scale and one local growth problem at the micro level. The macroscopic hyperelastic viscous dynamic model of the fingertip cross-section is validated by fitting experimental data. It is then used in steady-state vibration conditions to predict the mechanical fields in the close vicinity of capillaries. The space scale transfer from macroscopic to microscopic levels is ensured by considering a representative volume element (RVE) embedding a single capillary in its center. The vibrations emitted by the hand held power tool are next linked to the capillary growth through the adopted biomechanical growth model at the capillary level. The obtained results show that vibrations induce an increase of the thickness of the capillary's wall, thereby confirming the scenario of vibrations induced reduction of the lumen of blood vessels. Copyright © 2017 Elsevier Ltd. All rights reserved.

Modeling of DNA and Protein Organization Levels with Cn3D Software

ERIC Educational Resources Information Center

Stasinakis, Panagiotis K.; Nicolaou, Despoina

2017-01-01

The molecular structure of living organisms and the complex interactions amongst its components are the basis for the diversity observed at the macroscopic level. Proteins and nucleic acids are some of the major molecular components, and play a key role in several biological functions, such as those of development and evolution. This article…

Microstructural Development and Control in Liquid Phase Sintering; Processing, Structures and Properties of Cold Worked Metal Matrix Composites

DTIC Science & Technology

1984-06-03

between them in a composite develops in a manner consistent with the macroscopic axisymmetric deformation of wire drawing or swaging. Additionally, for...spacing) V 0 bo :vsii~f:- nikel omposit’es 0.5 -~ ................................*. . C pper-7chrorhium c2o * - - 0 0 C -io~omposites ~ :13 Nickeil

Particle Interactions Mediated by Dynamical Networks: Assessment of Macroscopic Descriptions

NASA Astrophysics Data System (ADS)

Barré, J.; Carrillo, J. A.; Degond, P.; Peurichard, D.; Zatorska, E.

2018-02-01

We provide a numerical study of the macroscopic model of Barré et al. (Multiscale Model Simul, 2017, to appear) derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodeling process is very fast, the macroscopic model takes the form of a single aggregation-diffusion equation for the density of particles. The theoretical study of the macroscopic model gives precise criteria for the phase transitions of the steady states, and in the one-dimensional case, we show numerically that the stationary solutions of the microscopic model undergo the same phase transitions and bifurcation types as the macroscopic model. In the two-dimensional case, we show that the numerical simulations of the macroscopic model are in excellent agreement with the predicted theoretical values. This study provides a partial validation of the formal derivation of the macroscopic model from a microscopic formulation and shows that the former is a consistent approximation of an underlying particle dynamics, making it a powerful tool for the modeling of dynamical networks at a large scale.

Active polar two-fluid macroscopic dynamics.

PubMed

Pleiner, H; Svenšek, D; Brand, H R

2013-11-01

We study the dynamics of systems with a polar dynamic preferred direction. Examples include the pattern-forming growth of bacteria as well as shoals of fish, flocks of birds and migrating insects. Due to the fact that the preferred direction only exists dynamically, but not statically, the macroscopic variable of choice is the macroscopic velocity associated with the motion of the active units, which are typically biological in nature. We derive the macroscopic equations for such a system and discuss novel static, reversible and irreversible cross-couplings connected to a second velocity as a variable. We analyze in detail how the macroscopic behavior of an active system with a polar dynamic preferred direction compares to other systems with two velocities including immiscible liquids and electrically neutral quantum liquids such as superfluid (4)He and (3)He . We critically discuss changes in the normal mode spectrum when comparing uncharged superfluids, immiscible liquids and active system with a polar dynamic preferred direction. We investigate the influence of a macroscopic hand (collective effects of chirality) on the macroscopic behavior of such active media.

Particle Interactions Mediated by Dynamical Networks: Assessment of Macroscopic Descriptions.

PubMed

Barré, J; Carrillo, J A; Degond, P; Peurichard, D; Zatorska, E

2018-01-01

We provide a numerical study of the macroscopic model of Barré et al. (Multiscale Model Simul, 2017, to appear) derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodeling process is very fast, the macroscopic model takes the form of a single aggregation-diffusion equation for the density of particles. The theoretical study of the macroscopic model gives precise criteria for the phase transitions of the steady states, and in the one-dimensional case, we show numerically that the stationary solutions of the microscopic model undergo the same phase transitions and bifurcation types as the macroscopic model. In the two-dimensional case, we show that the numerical simulations of the macroscopic model are in excellent agreement with the predicted theoretical values. This study provides a partial validation of the formal derivation of the macroscopic model from a microscopic formulation and shows that the former is a consistent approximation of an underlying particle dynamics, making it a powerful tool for the modeling of dynamical networks at a large scale.

Microstructural homogeneity of support silk spun by Eriophora fuliginea (C.L. Koch) determined by scanning X-ray microdiffraction

NASA Astrophysics Data System (ADS)

Riekel, C.; Craig, C. L.; Burghammer, M.; Müller, M.

2001-01-01

Scanning X-ray microdiffraction (SXD) permits the 'imaging' in-situ of crystalline phases, crystallinity and texture in whole biopolymer samples on the micrometre scale. SXD complements transmission electron microscopy (TEM) techniques, which reach sub-nanometre lateral resolution but require thin sections and a vacuum environment. This is demonstrated using a support thread from a web spun by the orb-weaving spider Eriophora fuliginea (C.L. Koch). Scanning electron microscopy (SEM) shows a central thread composed of two fibres to which thinner fibres are loosely attached. SXD of a piece of support thread approximately 60 µm long shows in addition the presence of nanometre-sized crystallites with the β-poly(L-alanine) structure in all fibres. The crystallinity of the thin fibres appears to be higher than that of the central thread, which probably reflects a higher polyalanine content of the fibroins. The molecular axis of the polymer chains in the central thread is orientated parallel to the macroscopic fibre axis, but in the thin fibres the molecular axis is tilted by about 71° to the macroscopic fibre axis. A helical model is tentatively proposed to describe this morphology. The central thread has a homogeneous distribution of crystallinity along the macroscopic fibre axis.

A contribution to the identification of charcoal origin in Brazil II - Macroscopic characterization of Cerrado species.

PubMed

Gonçalves, Thaís A P; Nisgoski, Silvana; Oliveira, Julia S; Marcati, Carmen R; Ballarin, Adriano W; Muñiz, Graciela I B

2016-05-13

The Brazilian Cerrado is the richest savanna in the world. It is also one of the biomes more threatened in the country and a hotspot for conservation priorities. The main causes of deforestation in Cerrado are agricultural practices, livestock and charcoal production. Although charcoal has a minor impact, its consumption represents the deforestation of 16.000 Km² of the Cerrado. To contribute for the biomes's conservation it is very important to improve forestry supervision. Thus, in this work we present the macroscopic characterization of charcoal from 25 Cerrado's species. We simulate the real conditions of forest controllers by using the magnifications of 10x, 25x and 65x. Likewise, the charcoals micrographs are all of transverse sections due to the larger amount of anatomical information. We also analyzed texture, brightness, vitrification, ruptures and some special features. The species present several differences in their anatomical structure. Although some of them are very unique, this work does not intent to identify charcoals only by macroscopic analyses. But it might give directions to future identification of genera or species. It also provides knowledge for government agents to verify the documents of forestry origin by fast analyzing a sample of charcoal itself.

Estimation of Enthalpy of Formation of Liquid Transition Metal Alloys: A Modified Prescription Based on Macroscopic Atom Model of Cohesion

NASA Astrophysics Data System (ADS)

Raju, Subramanian; Saibaba, Saroja

2016-09-01

The enthalpy of formation Δo H f is an important thermodynamic quantity, which sheds significant light on fundamental cohesive and structural characteristics of an alloy. However, being a difficult one to determine accurately through experiments, simple estimation procedures are often desirable. In the present study, a modified prescription for estimating Δo H f L of liquid transition metal alloys is outlined, based on the Macroscopic Atom Model of cohesion. This prescription relies on self-consistent estimation of liquid-specific model parameters, namely electronegativity ( ϕ L) and bonding electron density ( n b L ). Such unique identification is made through the use of well-established relationships connecting surface tension, compressibility, and molar volume of a metallic liquid with bonding charge density. The electronegativity is obtained through a consistent linear scaling procedure. The preliminary set of values for ϕ L and n b L , together with other auxiliary model parameters, is subsequently optimized to obtain a good numerical agreement between calculated and experimental values of Δo H f L for sixty liquid transition metal alloys. It is found that, with few exceptions, the use of liquid-specific model parameters in Macroscopic Atom Model yields a physically consistent methodology for reliable estimation of mixing enthalpies of liquid alloys.

Macromolecular 'size' and 'hardness' drives structure in solvent-swollen blends of linear, cyclic, and star polymers.

PubMed

Gartner, Thomas E; Jayaraman, Arthi

2018-01-17

In this paper, we apply molecular simulation and liquid state theory to uncover the structure and thermodynamics of homopolymer blends of the same chemistry and varying chain architecture in the presence of explicit solvent species. We use hybrid Monte Carlo (MC)/molecular dynamics (MD) simulations in the Gibbs ensemble to study the swelling of ∼12 000 g mol -1 linear, cyclic, and 4-arm star polystyrene chains in toluene. Our simulations show that the macroscopic swelling response is indistinguishable between the various architectures and matches published experimental data for the solvent annealing of linear polystyrene by toluene vapor. We then use standard MD simulations in the NPT ensemble along with polymer reference interaction site model (PRISM) theory to calculate effective polymer-solvent and polymer-polymer Flory-Huggins interaction parameters (χ eff ) in these systems. As seen in the macroscopic swelling results, there are no significant differences in the polymer-solvent and polymer-polymer χ eff between the various architectures. Despite similar macroscopic swelling and effective interaction parameters between various architectures, the pair correlation function between chain centers-of-mass indicates stronger correlations between cyclic or star chains in the linear-cyclic blends and linear-star blends, compared to linear chain-linear chain correlations. Furthermore, we note striking similarities in the chain-level correlations and the radius of gyration of cyclic and 4-arm star architectures of identical molecular weight. Our results indicate that the cyclic and star chains are 'smaller' and 'harder' than their linear counterparts, and through comparison with MD simulations of blends of soft spheres with varying hardness and size we suggest that these macromolecular characteristics are the source of the stronger cyclic-cyclic and star-star correlations.

Macroscopic erosion of divertor and first wall armour in future tokamaks

NASA Astrophysics Data System (ADS)

Würz, H.; Bazylev, B.; Landman, I.; Pestchanyi, S.; Safronov, V.

2002-12-01

Sputtering, evaporation and macroscopic erosion determine the lifetime of the 'in vessel' armour materials CFC, tungsten and beryllium presently under discussion for future tokamaks. For CFC armour macroscopic erosion means brittle destruction and dust formation whereas for metallic armour melt layer erosion by melt motion and droplet splashing. Available results on macroscopic erosion from hot plasma and e-beam simulation experiments and from tokamaks are critically evaluated and a comprehensive discussion of experimental and numerical macroscopic erosion and its extrapolation to future tokamaks is given. Shielding of divertor armour materials by their own vapor exists during plasma disruptions. The evolving plasma shield protects the armour from high heat loads, absorbs the incoming energy and reradiates it volumetrically thus reducing drastically the deposited energy. As a result, vertical target erosion by vaporization turns out to be of the order of a few microns per disruption event and macroscopic erosion becomes the dominant erosion source.

History-dependent friction and slow slip from time-dependent microscopic junction laws studied in a statistical framework

NASA Astrophysics Data System (ADS)

Thøgersen, Kjetil; Trømborg, Jørgen Kjoshagen; Sveinsson, Henrik Andersen; Malthe-Sørenssen, Anders; Scheibert, Julien

2014-05-01

To study how macroscopic friction phenomena originate from microscopic junction laws, we introduce a general statistical framework describing the collective behavior of a large number of individual microjunctions forming a macroscopic frictional interface. Each microjunction can switch in time between two states: a pinned state characterized by a displacement-dependent force and a slipping state characterized by a time-dependent force. Instead of tracking each microjunction individually, the state of the interface is described by two coupled distributions for (i) the stretching of pinned junctions and (ii) the time spent in the slipping state. This framework allows for a whole family of microjunction behavior laws, and we show how it represents an overarching structure for many existing models found in the friction literature. We then use this framework to pinpoint the effects of the time scale that controls the duration of the slipping state. First, we show that the model reproduces a series of friction phenomena already observed experimentally. The macroscopic steady-state friction force is velocity dependent, either monotonic (strengthening or weakening) or nonmonotonic (weakening-strengthening), depending on the microscopic behavior of individual junctions. In addition, slow slip, which has been reported in a wide variety of systems, spontaneously occurs in the model if the friction contribution from junctions in the slipping state is time weakening. Next, we show that the model predicts a nontrivial history dependence of the macroscopic static friction force. In particular, the static friction coefficient at the onset of sliding is shown to increase with increasing deceleration during the final phases of the preceding sliding event. We suggest that this form of history dependence of static friction should be investigated in experiments, and we provide the acceleration range in which this effect is expected to be experimentally observable.

Investigating macroscopic, submicroscopic, and symbolic connections in a college-level general chemistry laboratory

NASA Astrophysics Data System (ADS)

Thadison, Felicia Culver

Explanations of chemical phenomena rely on understanding the behavior of submicroscopic particles. Because this level is "invisible," it is described using symbols such as models, diagrams and equations. For this reason, students often view chemistry as a "difficult" subject. The laboratory offers a unique opportunity for the students to experience chemistry macroscopically as well as symbolically. The purpose of this investigation was to determine how chemistry lab students explained chemical phenomenon on the macroscopic, submicroscopic, and representational/symbolic level. The participants were undergraduate students enrolled in an introductory level general chemistry lab course. Students' background information (gender, the number of previous chemistry courses), scores on final exams, and final average for the course were collected. Johnstone's triangle of representation guided the design and implementation of this study. A semi-structured interview was also conducted to bring out student explanations. The questionnaires required students to draw a molecule of water, complete acid base reaction equations, represent, submicroscopically, the four stages of an acid-base titration, and provide definitions of various terms. Students were able represent the submicroscopic level of water. Students were not able to represent the submicroscopic level of the reaction between an acid and a base. Students were able to represent the macroscopic level of an acid base reaction. Students were able to symbolically represent the reaction of an acid and a base. These findings indicate that students can use all three levels of chemical representation. However, students showed an inability to connect the levels in relation to acid-base chemistry. There was no relationship between a student's ability to use the levels and his or her final score in the course.

History-dependent friction and slow slip from time-dependent microscopic junction laws studied in a statistical framework.

PubMed

Thøgersen, Kjetil; Trømborg, Jørgen Kjoshagen; Sveinsson, Henrik Andersen; Malthe-Sørenssen, Anders; Scheibert, Julien

2014-05-01

To study how macroscopic friction phenomena originate from microscopic junction laws, we introduce a general statistical framework describing the collective behavior of a large number of individual microjunctions forming a macroscopic frictional interface. Each microjunction can switch in time between two states: a pinned state characterized by a displacement-dependent force and a slipping state characterized by a time-dependent force. Instead of tracking each microjunction individually, the state of the interface is described by two coupled distributions for (i) the stretching of pinned junctions and (ii) the time spent in the slipping state. This framework allows for a whole family of microjunction behavior laws, and we show how it represents an overarching structure for many existing models found in the friction literature. We then use this framework to pinpoint the effects of the time scale that controls the duration of the slipping state. First, we show that the model reproduces a series of friction phenomena already observed experimentally. The macroscopic steady-state friction force is velocity dependent, either monotonic (strengthening or weakening) or nonmonotonic (weakening-strengthening), depending on the microscopic behavior of individual junctions. In addition, slow slip, which has been reported in a wide variety of systems, spontaneously occurs in the model if the friction contribution from junctions in the slipping state is time weakening. Next, we show that the model predicts a nontrivial history dependence of the macroscopic static friction force. In particular, the static friction coefficient at the onset of sliding is shown to increase with increasing deceleration during the final phases of the preceding sliding event. We suggest that this form of history dependence of static friction should be investigated in experiments, and we provide the acceleration range in which this effect is expected to be experimentally observable.

Understanding the Pulsar High Energy Emission: Macroscopic and Kinetic Models

NASA Astrophysics Data System (ADS)

Kalapotharakos, Constantinos; Brambilla, Gabriele; Timokhin, Andrey; Kust Harding, Alice; Kazanas, Demos

2017-08-01

Pulsars are extraordinary objects powered by the rotation of magnetic fields of order 10^8, 10^12G anchored onto neutron stars and rotating with periods 10^(-3)-10s. These fields mediate the conversion of their rotational energy into MHD winds and at the same time accelerate particles to energies sufficiently high to produce GeV photons. Fermi, since its launch in 2008, has established several trends among the observed gamma-ray pulsar properties playing a catalytic role in the current modeling of the high energy emission in pulsar magnetospheres. We judiciously use the guidance provided by the Fermi data to yield meaningful constraints on the macroscopic parameters of our global dissipative pulsar magnetosphere models. Our FIDO (Force-Free Inside, Dissipative Outside) models indicate that the dissipative regions lie outside the light cylinder near the equatorial current sheet. Our models reproduce the light-curve phenomenology while a detailed comparison of the model spectral properties with those observed by Fermi reveals the dependence of the macroscopic conductivity parameter on the spin-down rate providing a unique insight into the understanding of the physical mechanisms behind the high-energy emission in pulsar magnetospheres. Finally, we further exploit these important results by building self-consistent 3D global kinetic particle-in-cell (PIC) models which, eventually, provide the dependence of the macroscopic parameter behavior (e.g. conductivity) on the microphysical properties (e.g. particle multiplicities, particle injection rates). Our PIC models provide field structures and particle distributions that are not only consistent with each other but also able to reproduce a broad range of the observed gamma-ray phenomenology (light curves and spectral properties) of both young and millisecond pulsars.

The Behavior of Matter under Nonequilibrium Conditions: Fundamental Aspects and Applications: Progress Report for Period August 15, 1989 - April 14, 1990

DOE R&D Accomplishments Database

Prigogine, I.

1989-10-01

As in the previous period, our work has been concerned with the study of the properties of nonequilibrium systems and especially with the mechanism of self-organization. As is well-known, the study of self-organization began with the investigation of hydrodynamical or chemical instabilities studied from the point of view of macroscopic physics. The main outcome is that nonequilibrium generates spatial correlations of macroscopic physics. The main outcome is that nonequilibrium generated spatial correlations of macroscopic range whose characteristics length is an intrinsic property and whose amplitude is determined by nonequilibrium constraints. A survey of the macroscopic approach to nonequilibrium states is given in the paper. "Nonequilibrium States and Long Range Correlations in Chemical Dynamics", by G. Nicolis at al. However, over the last few years important progress has been made in the simulation of nonequilibrium situations using mainly molecular dynamics. It appears now that processes corresponding to self-organization as well as the appearance of long-range correlations can be obtained in this way starting from a program involving Newtonian dynamics (generally the laws of interaction correspond to hard spheres or hard disks). Examples of such types of studies leading to Benard instabilities, to chemical clocks, or to spatial structure formation are given in this report. As a result, we may now view self-organization as a direct expression of tan appropriate microscopic dynamics. This is the reason why we have devoted much work to the study of large Poincare systems (LPS) involving continuous sets of resonances. These systems have been shown to lead, according to the constraints, either to equilibrium situations or to nonequilibrium states involving long range correlations. We discuss LPS in the frame of classical mechanics.

Effect of blanching in water and sugar solutions on texture and microstructure of sliced carrots.

PubMed

Neri, Lilia; Hernando, Isabel Hernando; Pérez-Munuera, Isabel; Sacchetti, Giampiero; Pittia, Paola

2011-01-01

Thermal processing of vegetables has pronounced effects on the cell structure, often negatively affecting the final textural properties of the product. In order to study the effect of thermal processing and the protective effect of sugars on the tissue, sliced carrots were subjected to blanching treatments under different time and temperature combinations both in water and in 4% sugar solutions made of trehalose or maltose. The influence of these process conditions on mass transfer, texture, and microstructure (Cryo-scanning electron microscopy) was thus investigated. The total mass loss of all the samples blanched in water was associated to their cook value (C(100)(18)) except for the overprocessed one (90 °C, 10 min) that showed a total mass change significantly lower due to water uptake. The use of trehalose and maltose in the blanching solution reduced the solute loss while increasing the water loss. Microstructural analysis of the differently blanched carrots showed detachments between adjacent cell walls as well as plasmolysis phenomena as the time and temperature of the thermal treatment were increased. A protective effect of both sugars on cell structures was observed mostly in the sample treated at 90 °C. At macroscopic level, textural changes upon blanching were observed by a penetration test. As blanching time was increased, samples processed at 75 °C showed a hardness increase, while those processed at 90 °C showed a hardness decrease. However, both trehalose and maltose did not exert significant effects on the textural properties of blanched carrots when compared with those blanched in water. Practical Application: The results of this study could offer interesting perspectives in the optimization of the heat treatments in order to preserve the quality of semi-finished processed vegetables. Furthermore, the microstructural analysis is nowadays an important investigation tool that could contribute to a deeper understanding of both the effects of processing and ingredients on the vegetable microstructure and its relationship with the changes occurring on the quality properties at macroscopic level.

Coulomb structures of charged macroparticles in static magnetic traps at cryogenic temperatures

NASA Astrophysics Data System (ADS)

Vasiliev, M. M.; Petrov, O. F.; Statsenko, K. B.

2015-12-01

Electrically charged (up to 107 e) macroscopic superconducting particles with sizes in the micrometer range confined in a static magnetic trap in liquid nitrogen and in nitrogen vapor at temperatures of 77-91 K are observed experimentally. The macroparticles with sizes up to 60 μm levitate in a nonuniform static magnetic field B ~ 2500 G. The formation of strongly correlated structures comprising as many as ~103 particles is reported. The average particle distance in these structures amounts to 475 μm. The coupling parameter and the Lindemann parameter of these structures are estimated to be ~107 and ~0.03, respectively, which is characteristic of strongly correlated crystalline or glasslike structures.

A mathematical model of the structure and evolution of small-scale discrete auroral arcs

NASA Technical Reports Server (NTRS)

Seyler, Charles E.

1990-01-01

A three-dimensional fluid model for the structure and evolution of small-scale discrete auroral arcs originating from Alfven waves is developed and used to study the nonlinear macroscopic plasma dynamics of these auroral arcs. The results of simulations show that stationary auroral arcs can be unstable to a collisionless tearing mode which may be responsible for the observed transverse structuring in the form of folds and curls. At late times, the plasma becomes turbulent having transverse electric field power spectra that tend toward a universal k exp -5/3 spectral form.

Nanoforging – Innovation in three-dimensional processing and shaping of nanoscaled structures

PubMed Central

Rösler, Joachim

2014-01-01

Summary Background: This paper describes the shaping of freestanding objects out of metallic structures in the nano- and submicron size. The technique used, called nanoforging, is very similar to the macroscopic forging process. Results: With spring actuated tools produced by focused ion beam milling, controlled forging is demonstrated. With only three steps, a conical bar stock is transformed to a flat- and semicircular bent bar stock. Conclusion: Compared with other forming techniques in the reduced scale, nanoforging represents a beneficial approach in forming freestanding metallic structures, due to its simplicity, and supplements other forming techniques. PMID:25161840

Does tumor size have its prognostic role in colorectal cancer? Re-evaluating its value in colorectal adenocarcinoma with different macroscopic growth pattern.

PubMed

Dai, Weixing; Li, Yaqi; Meng, Xianke; Cai, Sanjun; Li, Qingguo; Cai, Guoxiang

2017-09-01

Few previous studies have taken the growth pattern into consideration when analyzing the prognostic value of tumor size in colorectal cancer (CRC). We sought to reveal the prognostic role of tumor size in different macroscopic growth patterns of CRC. Using Cancer Center datasets, we identified 4057 cases with colorectal adenocarcinoma treated with curative resection. Macroscopic growth patterns of tumors were classified into three types: infiltrative, ulcerative and expansive types based on tumor gross appearance. Univariate and multivariate Cox regression analyses were performed to evaluate the prognostic factors for overall survival (OS) and disease-free survival (DFS). In whole cohort, tumor size was an independent factor for OS (HR 1.10, 95%CI 1.04-1.16, p < 0.001). Subgroup analysis based on macroscopic growth pattern suggested that tumor size was an independent factor for OS both in the infiltrative (HR 1.37, 95%CI 1.12-1.66, p = 0.002) group and ulcerative group (HR 1.08, 95%CI 1.00-1.16, p = 0.044) and tumor size (HR 1.22, 95%CI 1.06-1.40, p = 0.004) was found as an independent factor for DFS only in infiltrative group. Tumor size is an independent factor for OS and DFS in patients with colorectal adenocarcinoma of infiltrative type, while only for OS in patients of ulcerative type. Copyright © 2017. Published by Elsevier Ltd.

Voltage and pace-capture mapping of linear ablation lesions overestimates chronic ablation gap size.

PubMed

O'Neill, Louisa; Harrison, James; Chubb, Henry; Whitaker, John; Mukherjee, Rahul K; Bloch, Lars Ølgaard; Andersen, Niels Peter; Dam, Høgni; Jensen, Henrik K; Niederer, Steven; Wright, Matthew; O'Neill, Mark; Williams, Steven E

2018-04-26

Conducting gaps in lesion sets are a major reason for failure of ablation procedures. Voltage mapping and pace-capture have been proposed for intra-procedural identification of gaps. We aimed to compare gap size measured acutely and chronically post-ablation to macroscopic gap size in a porcine model. Intercaval linear ablation was performed in eight Göttingen minipigs with a deliberate gap of ∼5 mm left in the ablation line. Gap size was measured by interpolating ablation contact force values between ablation tags and thresholding at a low force cut-off of 5 g. Bipolar voltage mapping and pace-capture mapping along the length of the line were performed immediately, and at 2 months, post-ablation. Animals were euthanized and gap sizes were measured macroscopically. Voltage thresholds to define scar were determined by receiver operating characteristic analysis as <0.56 mV (acutely) and <0.62 mV (chronically). Taking the macroscopic gap size as gold standard, error in gap measurements were determined for voltage, pace-capture, and ablation contact force maps. All modalities overestimated chronic gap size, by 1.4 ± 2.0 mm (ablation contact force map), 5.1 ± 3.4 mm (pace-capture), and 9.5 ± 3.8 mm (voltage mapping). Error on ablation contact force map gap measurements were significantly less than for voltage mapping (P = 0.003, Tukey's multiple comparisons test). Chronically, voltage mapping and pace-capture mapping overestimated macroscopic gap size by 11.9 ± 3.7 and 9.8 ± 3.5 mm, respectively. Bipolar voltage and pace-capture mapping overestimate the size of chronic gap formation in linear ablation lesions. The most accurate estimation of chronic gap size was achieved by analysis of catheter-myocardium contact force during ablation.

Experimental study and numerical simulation on the structural and mechanical properties of Typha leaves through multimodal microscopy approaches.

PubMed

Liu, Jingjing; Zhang, Zhihui; Yu, Zhenglei; Liang, Yunhong; Li, Xiujuan; Ren, Luquan

2018-01-01

The Typha leaf, with special multi-level structure, low density and excellent mechanical properties, is an ideal bionic prototype utilized for lightweight design. In order to further study the relationship between the structure and mechanical properties, the three-dimensional macroscopic morphology of Typha leaves was characterized by micro computed tomography (Micro-CT) and its internal microstructure was observed by scanning electron microscopy (SEM). The combination of experimental and computational research was carried out in this paper, to reveal and verify the effect of multi-level structure on the mechanical properties. A universal testing machine and a self-developed mechanical testing apparatus with high precision and low load were used to measure the mechanical properties of the axial compression and lateral bending of the leaves, respectively. Three models with different internal structures were established based on the above-mentioned three-dimensional morphologies. The result demonstrated that the structure of partitions and diaphragms within the Typha leaf could form a reinforcement ribs structure which could provide multiple load paths and make the process of compression and bending difficult. The further nonlinear finite element analysis through LS-DYNA proved that internal structure could improve the ability of the models to resist compression and deformation. The investigation can be the reference for lightweight thin-walled structure design and inspire the application of the bionic structural materials. Copyright © 2017 Elsevier Ltd. All rights reserved.

Identification of tissular origin of particles based on autofluorescence multispectral image analysis at the macroscopic scale

NASA Astrophysics Data System (ADS)

Corcel, Mathias; Devaux, Marie-Françoise; Guillon, Fabienne; Barron, Cécile

2017-06-01

Powders produced from plant materials are heterogeneous in relation to native plant heterogeneity, and during grinding, dissociation often occurred at the tissue scale. The tissue composition of powdery samples could be modified through dry fractionation diagrams and impact their end-uses properties. If tissue identification is often made on native plant structure, this characterization is not straightforward in destructured samples such powders. Taking advantage of the autofluorescence properties of cell wall components, multispectral image acquisition is envisioned to identify the tissular origin of particles. Images were acquired on maize stem sections and ground tissues isolated from the same stem by hand dissection. The variability in fluorescence intensity profiles was analysed using principal component analysis. The correspondence between fluorescence profiles and the different tissues observed in maize sections was assessed based on histology or known compositional heterogeneity. Similar variability was encountered in fluorescence profiles extracted from powder leading to the potential ability to predict tissular origin based on this autofluorescence multispectral signal.

Structural, thermal and optical characterization of a Schiff base as a new organic material for nonlinear optical crystals and films with reversible noncentrosymmetry.

PubMed

Rodríguez, Mario; Ramos-Ortíz, Gabriel; Maldonado, José Luis; Herrera-Ambriz, Víctor M; Domínguez, Oscar; Santillan, Rosa; Farfán, Norberto; Nakatani, Keitaro

2011-09-01

Macroscopic single crystals of (E)-5-(diethylamino)-2-((3,5-dinitrophenylimino)methyl)phenol (DNP) were obtained from slow cooling of chloroform or dichlorometane saturated solutions at controlled temperature. X-ray diffraction analysis showed that this compound crystallizes in a noncentrosymmetric space group (P2(1)2(1)2(1)). Thermal analysis was performed and indicated that the crystals are stable until 260 °C. Second-order nonlinear optical properties of DNP were experimentally investigated in solution through EFISH technique and in solid state through the Kurtz-Perry powder technique. Crystals of compound DNP exhibited a second-harmonic signals 39 times larger than of the technologically useful potassium dihydrogenphosphate (KDP) under excitation at infrared wavelengths. In addition, the second-order nonlinear optical properties of DNP were also studied at visible wavelengths through the photorefractive effect and applied to demonstrate dynamic holographic reconstruction. Copyright © 2011 Elsevier B.V. All rights reserved.

The prepatellar bursa: cadaveric investigation of regional anatomy with MRI after sonographically guided bursography.

PubMed

Aguiar, Rodrigo O; Viegas, Flavio C; Fernandez, Rodrigo Y; Trudell, Debra; Haghighi, Parviz; Resnick, Donald

2007-04-01

The purpose of this study was to use MRI and anatomic correlation in cadavers to show the macroscopic anatomic configuration of the prepatellar bursa. MRI of the prepatellar bursa of nine cadaveric knees was performed after sonographically guided bursography. The images were compared with those seen on anatomic sectioning. Histologic analysis was obtained in two specimens. Mean dimensions of the prepatellar bursa in the craniocaudal, lateromedial, and anteroposterior planes were 39.7, 40.5, and 3.2 mm, respectively. A trilaminar aspect of the bursa was shown in seven of the nine knees (78%) and a bilaminar appearance in two of the nine knees (22%). Lateral extension of the bursa over the patella was observed in three knees (33%) and medial extension in one knee (11%). On histopathologic analysis, three potential bursal spaces were found. The prepatellar bursa is most commonly a trilaminar structure, and variation in its relation to the patella can occur.

Microscopic and macroscopic models for the onset and progression of Alzheimer's disease

NASA Astrophysics Data System (ADS)

Bertsch, Michiel; Franchi, Bruno; Carla Tesi, Maria; Tosin, Andrea

2017-10-01

In the first part of this paper we review a mathematical model for the onset and progression of Alzheimer’s disease (AD) that was developed in subsequent steps over several years. The model is meant to describe the evolution of AD in vivo. In Achdou et al (2013 J. Math. Biol. 67 1369-92) we treated the problem at a microscopic scale, where the typical length scale is a multiple of the size of the soma of a single neuron. Subsequently, in Bertsch et al (2017 Math. Med. Biol. 34 193-214) we concentrated on the macroscopic scale, where brain neurons are regarded as a continuous medium, structured by their degree of malfunctioning. In the second part of the paper we consider the relation between the microscopic and the macroscopic models. In particular we show under which assumptions the kinetic transport equation, which in the macroscopic model governs the evolution of the probability measure for the degree of malfunctioning of neurons, can be derived from a particle-based setting. The models are based on aggregation and diffusion equations for β-Amyloid (Aβ from now on), a protein fragment that healthy brains regularly produce and eliminate. In case of dementia Aβ monomers are no longer properly washed out and begin to coalesce forming eventually plaques. Two different mechanisms are assumed to be relevant for the temporal evolution of the disease: (i) diffusion and agglomeration of soluble polymers of amyloid, produced by damaged neurons; (ii) neuron-to-neuron prion-like transmission. In the microscopic model we consider mechanism (i), modelling it by a system of Smoluchowski equations for the amyloid concentration (describing the agglomeration phenomenon), with the addition of a diffusion term as well as of a source term on the neuronal membrane. At the macroscopic level instead we model processes (i) and (ii) by a system of Smoluchowski equations for the amyloid concentration, coupled to a kinetic-type transport equation for the distribution function of the degree of malfunctioning of the neurons. The transport equation contains an integral term describing the random onset of the disease as a jump process localized in particularly sensitive areas of the brain.

Structural evaluation of InAsP/InGaAsP strained-layer superlattices with dislocations as grown by metal-organic molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Nakashima, Kiichi; Sugiura, Hideo

1997-08-01

The relaxation process in InAsP/InGaAsP strained-layer superlattices (SLSs) with interfacial misfit dislocations has been investigated systematically by transmission electron microscopy (TEM) and x-ray analyses. The TEM analysis reveals that dislocations locate a little inside the buffer layer near the interface between the buffer and first well layer in the SLS. The x-ray analysis of (400) azimuthal angle dependence indicates the buffer layer has a large macroscopic tilt. Using a curve fitting analysis of various (hkl) x-ray profiles and reciprocal lattice mapping measurements, residual strain was determined quantitatively, i.e., Δa∥ and Δa⊥, in the SLS and buffer layer. These results reveal that the dislocations mainly cause lattice distortion of the buffer layer rather than relaxation of the SLS layer. The most remarkable result is that the change of a∥ is not equal to that of a⊥ in the buffer layer. This phenomenon strongly suggests that microplastic domains are generated in the buffer layer.

Age determination by teeth examination: a comparison between different morphologic and quantitative analyses.

PubMed

Amariti, M L; Restori, M; De Ferrari, F; Paganelli, C; Faglia, R; Legnani, G

1999-06-01

Age determination by teeth examination is one of the main means of determining personal identification. Current studies have suggested different techniques for determining the age of a subject by means of the analysis of microscopic and macroscopic structural modifications of the tooth with ageing. The histological approach is useful among the various methodologies utilized for this purpose. It is still unclear as to what is the best technique, as almost all the authors suggest the use of the approach they themselves have tested. In the present study, age determination by means of microscopic techniques has been based on the quantitative analysis of three parameters, all well recognized in specialized literature: 1. dentinal tubules density/sclerosis 2. tooth translucency 3. analysis of the cementum thickness. After a description of the three methodologies (with automatic image processing of the dentinal sclerosis utilizing an appropriate computer program developed by the authors) the results obtained on cases using the three different approaches are presented, and the merits and failings of each technique are identified with the intention of identifying the one offering the least degree of error in age determination.

Shallow Cumulus Variability at the ARM Eastern North Atlantic Site

NASA Astrophysics Data System (ADS)

Lamer, K.; Kollias, P.; Ghate, V. P.; Luke, E. P.

2016-12-01

Cumulus clouds play a critical role in modulating the radiative and hydrological budget of the lower troposphere. These clouds, which are ubiquitous in regions of large-scale subsidence over the oceans, tend to be misrepresented in global climate models. Island-based, long-term, high-resolution ground-based observations can provide valuable insights on the factors controlling their macroscopic and microphysical properties and subsequenlty assist in model evaluation and guidance. Previous studies, limited to fair-weather cumuli over land, revealed that their fractional coverage is only weakly correlated with several parameters; the best ones being complex dynamical characteristics of the subcloud layer (vertical velocity skewness and eddy coherence). Other studies noted a relationship between cumuli depth and their propensity to precipitate. The current study will expand on such analysis by performing detail characterization of the full spectrum of shallow cumulus fields from non-precipitating to precipitating in the context of the large-scale forcing (i.e. thermodynamic structure and subsidence rates). Two years of ground-based remote sensing observations collected at the Atmospheric Radiation Measurement (ARM) Eastern North Atlantic (ENA) site are used to document macroscopic (cloud depth, cord length, cover), microphysical (liquid water path, cloud base rain rate) and dynamical (cloud base mass flux, eddy dissipation rate) cumuli properties. The observed variability in shallow cumulus is examined in relation to the variability of the large-scale environment as captured by the humidity profile, the magnitude of the low-level horizontal winds and near-surface aerosol conditions.

Microscale sulfur cycling in the phototrophic pink berry consortia of the Sippewissett Salt Marsh

PubMed Central

Wilbanks, Elizabeth G; Jaekel, Ulrike; Salman, Verena; Humphrey, Parris T; Eisen, Jonathan A; Facciotti, Marc T; Buckley, Daniel H; Zinder, Stephen H; Druschel, Gregory K; Fike, David A; Orphan, Victoria J

2014-01-01

Microbial metabolism is the engine that drives global biogeochemical cycles, yet many key transformations are carried out by microbial consortia over short spatiotemporal scales that elude detection by traditional analytical approaches. We investigate syntrophic sulfur cycling in the ‘pink berry’ consortia of the Sippewissett Salt Marsh through an integrative study at the microbial scale. The pink berries are macroscopic, photosynthetic microbial aggregates composed primarily of two closely associated species: sulfide-oxidizing purple sulfur bacteria (PB-PSB1) and sulfate-reducing bacteria (PB-SRB1). Using metagenomic sequencing and 34S-enriched sulfate stable isotope probing coupled with nanoSIMS, we demonstrate interspecies transfer of reduced sulfur metabolites from PB-SRB1 to PB-PSB1. The pink berries catalyse net sulfide oxidation and maintain internal sulfide concentrations of 0–500 μm. Sulfide within the berries, captured on silver wires and analysed using secondary ion mass spectrometer, increased in abundance towards the berry interior, while δ34S-sulfide decreased from 6‰ to −31‰ from the exterior to interior of the berry. These values correspond to sulfate–sulfide isotopic fractionations (15–53‰) consistent with either sulfate reduction or a mixture of reductive and oxidative metabolisms. Together this combined metagenomic and high-resolution isotopic analysis demonstrates active sulfur cycling at the microscale within well-structured macroscopic consortia consisting of sulfide-oxidizing anoxygenic phototrophs and sulfate-reducing bacteria. PMID:24428801

Effect of calcium/sodium ion exchange on the osmotic properties and structure of polyelectrolyte gels.

PubMed

Horkay, Ferenc; Basser, Peter J; Hecht, Anne-Marie; Geissler, Erik

2015-12-01

We discuss the main findings of a long-term research program exploring the consequences of sodium/calcium ion exchange on the macroscopic osmotic and elastic properties, and the microscopic structure of representative synthetic polyelectrolyte (sodium polyacrylate, (polyacrylic acid)) and biopolymer gels (DNA). A common feature of these gels is that above a threshold calcium ion concentration, they exhibit a reversible volume phase transition. At the macroscopic level, the concentration dependence of the osmotic pressure shows that calcium ions influence primarily the third-order interaction term in the Flory-Huggins model of polymer solutions. Mechanical tests reveal that the elastic modulus is practically unaffected by the presence of calcium ions, indicating that ion bridging does not create permanent cross-links. At the microscopic level, small-angle neutron scattering shows that polyacrylic acid and DNA gels exhibit qualitatively similar structural features in spite of important differences (e.g. chain flexibility and chemical composition) between the two polymers. The main effect of calcium ions is that the neutron scattering intensity increases due to the decrease in the osmotic modulus. At the level of the counterion cloud around dissolved macroions, anomalous small-angle X-ray scattering measurements made on DNA indicate that divalent ions form a cylindrical sheath enveloping the chain, but they are not localized. Small-angle neutron scattering and small-angle X-ray scattering provide complementary information on the structure and interactions in polymer solutions and gels. © IMechE 2015.

Microbially Induced Sedimentary Structures Recording an Ancient Ecosystem in the ca. 3.48 Billion-Year-Old Dresser Formation, Pilbara, Western Australia

PubMed Central

Christian, Daniel; Wacey, David; Hazen, Robert M.

2013-01-01

Abstract Microbially induced sedimentary structures (MISS) result from the response of microbial mats to physical sediment dynamics. MISS are cosmopolitan and found in many modern environments, including shelves, tidal flats, lagoons, riverine shores, lakes, interdune areas, and sabkhas. The structures record highly diverse communities of microbial mats and have been reported from numerous intervals in the geological record up to 3.2 billion years (Ga) old. This contribution describes a suite of MISS from some of the oldest well-preserved sedimentary rocks in the geological record, the early Archean (ca. 3.48 Ga) Dresser Formation, Western Australia. Outcrop mapping at the meter to millimeter scale defined five sub-environments characteristic of an ancient coastal sabkha. These sub-environments contain associations of distinct macroscopic and microscopic MISS. Macroscopic MISS include polygonal oscillation cracks and gas domes, erosional remnants and pockets, and mat chips. Microscopic MISS comprise tufts, sinoidal structures, and laminae fabrics; the microscopic laminae are composed of primary carbonaceous matter, pyrite, and hematite, plus trapped and bound grains. Identical suites of MISS occur in equivalent environmental settings through the entire subsequent history of Earth including the present time. This work extends the geological record of MISS by almost 300 million years. Complex mat-forming microbial communities likely existed almost 3.5 billion years ago. Key Words: Archean—Biofilms—Microbial mats—Early Earth—Evolution. Astrobiology 13, 1103–1124. PMID:24205812

Magnetic resonance imaging can accurately assess the long-term progression of knee structural changes in experimental dog osteoarthritis.

PubMed

Boileau, C; Martel-Pelletier, J; Abram, F; Raynauld, J-P; Troncy, E; D'Anjou, M-A; Moreau, M; Pelletier, J-P

2008-07-01

Osteoarthritis (OA) structural changes take place over decades in humans. MRI can provide precise and reliable information on the joint structure and changes over time. In this study, we investigated the reliability of quantitative MRI in assessing knee OA structural changes in the experimental anterior cruciate ligament (ACL) dog model of OA. OA was surgically induced by transection of the ACL of the right knee in five dogs. High resolution three dimensional MRI using a 1.5 T magnet was performed at baseline, 4, 8 and 26 weeks post surgery. Cartilage volume/thickness, cartilage defects, trochlear osteophyte formation and subchondral bone lesion (hypersignal) were assessed on MRI images. Animals were killed 26 weeks post surgery and macroscopic evaluation was performed. There was a progressive and significant increase over time in the loss of knee cartilage volume, the cartilage defect and subchondral bone hypersignal. The trochlear osteophyte size also progressed over time. The greatest cartilage loss at 26 weeks was found on the tibial plateaus and in the medial compartment. There was a highly significant correlation between total knee cartilage volume loss or defect and subchondral bone hypersignal, and also a good correlation between the macroscopic and the MRI findings. This study demonstrated that MRI is a useful technology to provide a non-invasive and reliable assessment of the joint structural changes during the development of OA in the ACL dog model. The combination of this OA model with MRI evaluation provides a promising tool for the evaluation of new disease-modifying osteoarthritis drugs (DMOADs).

Highly macroscopically degenerated single-point ground states as source of specific heat capacity anomalies in magnetic frustrated systems

NASA Astrophysics Data System (ADS)

Jurčišinová, E.; Jurčišin, M.

2018-04-01

Anomalies of the specific heat capacity are investigated in the framework of the exactly solvable antiferromagnetic spin- 1 / 2 Ising model in the external magnetic field on the geometrically frustrated tetrahedron recursive lattice. It is shown that the Schottky-type anomaly in the behavior of the specific heat capacity is related to the existence of unique highly macroscopically degenerated single-point ground states which are formed on the borders between neighboring plateau-like ground states. It is also shown that the very existence of these single-point ground states with large residual entropies predicts the appearance of another anomaly in the behavior of the specific heat capacity for low temperatures, namely, the field-induced double-peak structure, which exists, and should be observed experimentally, along with the Schottky-type anomaly in various frustrated magnetic system.

Rapid expulsion of microswimmers by a vortical flow

DOE PAGES

Sokolov, Andrey; Aranson, Igor S.

2016-03-23

Interactions of microswimmers with their fluid environment are exceptionally complex. Macroscopic shear flow alters swimming trajectories in a highly nontrivial way and results in dramatic reduction of viscosity and heterogeneous bacterial distributions. Here we report on experimental and theoretical studies of rapid expulsion of microswimmers, such as motile bacteria, by a vortical flow created by a rotating microparticle. We observe a formation of a macroscopic depletion area in a high-shear region, in the vicinity of a microparticle. The rapid migration of bacteria from the shear-rich area is caused by a vortical structure of the flow rather than intrinsic random fluctuationsmore » of bacteria orientations, in stark contrast to planar shear flow. Our mathematical model reveals that expulsion is a combined effect of motility and alignment by a vortical flow. Our findings offer a novel approach for manipulation of motile microorganisms and shed light on bacteria-flow interactions.« less

Photoactuators for Direct Optical-to-Mechanical Energy Conversion: From Nanocomponent Assembly to Macroscopic Deformation.

PubMed

Hu, Ying; Li, Zhe; Lan, Tian; Chen, Wei

2016-12-01

Photoactuators with integrated optical-to-mechanical energy conversion capacity have attracted growing research interest in the last few decades due to their unique features of remote control and their wide applications ranging from bionic robots, biomedical devices, and switches to motors. For the photoactuator design, the energy conversion route and structure assembly are two important parts, which directly affect the performance of the photoactuators. In particular, the architectural designs at the molecular, nano-, micro-, and macro- level, are found to play a significant role in accumulating molecular-scale strain/stress to macroscale strain/stress. Here, recent progress on photoactuators based on photochemical and photothermal effects is summarized, followed by a discussion of the important assembly strategies for the amplification of the photoresponsive components at nanoscale to macroscopic scale motions. The application advancement of current photoactuators is also presented. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Understanding micro-diffusion bonding from the fabrication of B4C/Ni composites

NASA Astrophysics Data System (ADS)

Wang, Miao; Wang, Wen-xian; Chen, Hong-sheng; Li, Yu-li

2018-03-01

A Ni-B4C macroscopic diffusion welding couple and a Ni-15wt%B4C composite fabricated by spark plasma sintering (SPS) were used to understand the micro-scale diffusion bonding between metals and ceramics. In the Ni-B4C macroscopic diffusion welding couple a perfect diffusion welding joint was achieved. In the Ni-15wt%B4C sample, microstructure analyses demonstrated that loose structures occurred around the B4C particles. Energy dispersive X-ray spectroscopy analyses revealed that during the SPS process, the process of diffusion bonding between Ni and B4C particles can be divided into three stages. By employing a nano-indentation test, the room-temperature fracture toughness of the Ni matrix was found to be higher than that of the interface. The micro-diffusion bonding between Ni and B4C particles is quite different from the Ni-B4C reaction couple.

Quantum physics meets biology

PubMed Central

Arndt, Markus; Juffmann, Thomas; Vedral, Vlatko

2009-01-01

Quantum physics and biology have long been regarded as unrelated disciplines, describing nature at the inanimate microlevel on the one hand and living species on the other hand. Over the past decades the life sciences have succeeded in providing ever more and refined explanations of macroscopic phenomena that were based on an improved understanding of molecular structures and mechanisms. Simultaneously, quantum physics, originally rooted in a world-view of quantum coherences, entanglement, and other nonclassical effects, has been heading toward systems of increasing complexity. The present perspective article shall serve as a “pedestrian guide” to the growing interconnections between the two fields. We recapitulate the generic and sometimes unintuitive characteristics of quantum physics and point to a number of applications in the life sciences. We discuss our criteria for a future “quantum biology,” its current status, recent experimental progress, and also the restrictions that nature imposes on bold extrapolations of quantum theory to macroscopic phenomena. PMID:20234806

Catalysis, nanostructure and macroscopic property triangle in bioactive calcium-containing ceramic systems.

PubMed

Meiszterics, Anikó; Havancsák, Károly; Sinkó, Katalin

2013-04-01

Calcium silicate ceramics are intended for application as long-term implant materials. In the present work, attention was paid to understand the correlations between the nanostructure (aggregate size, crystallinity, porosity) and the macroscopic properties (solubility in water and simulated body fluids, SBF; hardness) varying the chemical composition. Varying the catalyst (from a base to various acids) during the chemical synthesis was shown to significantly impact on the pore size, crystallinity and mechanical properties. The basic catalyst yields the ceramics with the highest mechanical strength. Ammonia used in 1.0 or 10.0 molar ratio results in bulk ceramics with parameters required for a biomedical application, good hardness (180-200 HV) and low solubility (1-3%) in water and in SBF. The fine porosity (~50 nm) and homogeneous amorphous structure induce good mechanical character. Copyright © 2012 Elsevier B.V. All rights reserved.

Arbitrary lattice symmetries via block copolymer nanomeshes

PubMed Central

Majewski, Pawel W.; Rahman, Atikur; Black, Charles T.; Yager, Kevin G.

2015-01-01

Self-assembly of block copolymers is a powerful motif for spontaneously forming well-defined nanostructures over macroscopic areas. Yet, the inherent energy minimization criteria of self-assembly give rise to a limited library of structures; diblock copolymers naturally form spheres on a cubic lattice, hexagonally packed cylinders and alternating lamellae. Here, we demonstrate multicomponent nanomeshes with any desired lattice symmetry. We exploit photothermal annealing to rapidly order and align block copolymer phases over macroscopic areas, combined with conversion of the self-assembled organic phase into inorganic replicas. Repeated photothermal processing independently aligns successive layers, providing full control of the size, symmetry and composition of the nanoscale unit cell. We construct a variety of symmetries, most of which are not natively formed by block copolymers, including squares, rhombuses, rectangles and triangles. In fact, we demonstrate all possible two-dimensional Bravais lattices. Finally, we elucidate the influence of nanostructure on the electrical and optical properties of nanomeshes. PMID:26100566

Steady state rheology from homogeneous and locally averaged simple shear simulations

NASA Astrophysics Data System (ADS)

Shi, Hao; Luding, Stefan; Magnanimo, Vanessa

2017-06-01

Granular materials and particulate matter are ubiquitous in our daily life and they display interesting bulk behaviors from static to dynamic, solid to fluid or gas like states, or even all these states together. To understand how the micro structure and inter-particle forces influence the macroscopic bulk behavior is still a great challenge today. This short paper presents stress controlled homogeneous simple shear results in a 3D cuboidal box using MercuryDPM software. An improved rheological model is proposed for macroscopic friction, volume fraction and coordination number as a function of inertial number and pressure. In addition, the results are compared with the locally averaged data from steady state shear bands in a split bottom ring shear cell and very good agreement is observed in low to intermediate inertia regime at various confining pressure but not for high inertia collisional granular flow.

Scanning light-sheet microscopy in the whole mouse brain with HiLo background rejection

PubMed Central

Mertz, Jerome; Kim, Jinhyun

2010-01-01

It is well known that light-sheet illumination can enable optically sectioned wide-field imaging of macroscopic samples. However, the optical sectioning capacity of a light-sheet macroscope is undermined by sample-induced scattering or aberrations that broaden the thickness of the sheet illumination. We present a technique to enhance the optical sectioning capacity of a scanning light-sheet microscope by out-of-focus background rejection. The technique, called HiLo microscopy, makes use of two images sequentially acquired with uniform and structured sheet illumination. An optically sectioned image is then synthesized by fusing high and low spatial frequency information from both images. The benefits of combining light-sheet macroscopy and HiLo background rejection are demonstrated in optically cleared whole mouse brain samples, using both green fluorescent protein (GFP)-fluorescence and dark-field scattered light contrast. PMID:20210471

Quantum physics meets biology.

PubMed

Arndt, Markus; Juffmann, Thomas; Vedral, Vlatko

2009-12-01

Quantum physics and biology have long been regarded as unrelated disciplines, describing nature at the inanimate microlevel on the one hand and living species on the other hand. Over the past decades the life sciences have succeeded in providing ever more and refined explanations of macroscopic phenomena that were based on an improved understanding of molecular structures and mechanisms. Simultaneously, quantum physics, originally rooted in a world-view of quantum coherences, entanglement, and other nonclassical effects, has been heading toward systems of increasing complexity. The present perspective article shall serve as a "pedestrian guide" to the growing interconnections between the two fields. We recapitulate the generic and sometimes unintuitive characteristics of quantum physics and point to a number of applications in the life sciences. We discuss our criteria for a future "quantum biology," its current status, recent experimental progress, and also the restrictions that nature imposes on bold extrapolations of quantum theory to macroscopic phenomena.

Simulating the flow of entangled polymers.

PubMed

Masubuchi, Yuichi

2014-01-01

To optimize automation for polymer processing, attempts have been made to simulate the flow of entangled polymers. In industry, fluid dynamics simulations with phenomenological constitutive equations have been practically established. However, to account for molecular characteristics, a method to obtain the constitutive relationship from the molecular structure is required. Molecular dynamics simulations with atomic description are not practical for this purpose; accordingly, coarse-grained models with reduced degrees of freedom have been developed. Although the modeling of entanglement is still a challenge, mesoscopic models with a priori settings to reproduce entangled polymer dynamics, such as tube models, have achieved remarkable success. To use the mesoscopic models as staging posts between atomistic and fluid dynamics simulations, studies have been undertaken to establish links from the coarse-grained model to the atomistic and macroscopic simulations. Consequently, integrated simulations from materials chemistry to predict the macroscopic flow in polymer processing are forthcoming.

Application of the inverse analysis for determining the material properties of the woven fabrics for macroscopic approach

NASA Astrophysics Data System (ADS)

Oleksik, Mihaela; Oleksik, Valentin

2013-05-01

The current paper intends to realise a fast method for determining the material characteristics in the case of composite materials used in the airbags manufacturing. For determining the material data needed for other complex numerical simulations at macroscopic level there was used the inverse analysis method. In fact, there were carried out tensile tests for the composite material extracted along two directions - the direction of the weft and the direction of the warp and afterwards there were realised numerical simulations (using the Ls-Dyna software). A second stage consisted in the numerical simulation through the finite element method and the experimental testing for the Bias test. The material characteristics of the composite fabric material were then obtained by applying a multicriterial analysis using the Ls-Opt software, for which there was imposed a decrease of the mismatch between the force-displacement curves obtained numerically and experimentally, respectively, for both directions (weft and warp) as well as the decrease of the mismatch between the strain - extension curves for two points at the Bias test.

Macroscopic cartilage repair scoring of defect fill, integration and total points correlate with corresponding items in histological scoring systems - a study in adult sheep.

PubMed

Goebel, L; Orth, P; Cucchiarini, M; Pape, D; Madry, H

2017-04-01

To correlate osteochondral repair assessed by validated macroscopic scoring systems with established semiquantitative histological analyses in an ovine model and to test the hypothesis that important macroscopic individual categories correlate with their corresponding histological counterparts. In the weight-bearing portion of medial femoral condyles (n = 38) of 19 female adult Merino sheep (age 2-4 years; weight 70 ± 20 kg) full-thickness chondral defects were created (size 4 × 8 mm; International Cartilage Repair Society (ICRS) grade 3C) and treated with Pridie drilling. After sacrifice, 1520 blinded macroscopic observations from three observers at 2-3 time points including five different macroscopic scoring systems demonstrating all grades of cartilage repair where correlated with corresponding categories from 418 blinded histological sections. Categories "defect fill" and "total points" of different macroscopic scoring systems correlated well with their histological counterparts from the Wakitani and Sellers scores (all P ≤ 0.001). "Integration" was assessed in both histological scoring systems and in the macroscopic ICRS, Oswestry and Jung scores. Here, a significant relationship always existed (0.020 ≤ P ≤ 0.049), except for Wakitani and Oswestry (P = 0.054). No relationship was observed for the "surface" between histology and macroscopy (all P > 0.05). Major individual morphological categories "defect fill" and "integration", and "total points" of macroscopic scoring systems correlate with their corresponding categories in elementary and complex histological scoring systems. Thus, macroscopy allows to precisely predict key histological aspects of articular cartilage repair, underlining the specific value of macroscopic scoring for examining cartilage repair. Copyright © 2016 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

The severity of the long head biceps tendinopathy in patients with chronic rotator cuff tears: macroscopic versus microscopic results.

PubMed

Wu, Po-Ting; Jou, I-Ming; Yang, Cheng-Chang; Lin, Chii-Jeng; Yang, Chyun-Yu; Su, Fong-Chin; Su, Wei-Ren

2014-08-01

This study investigated the histopathology of the long head of biceps (LHB) tendon and correlated the findings with the macroscopic appearances of the LHB and the size of rotator cuff tears (RCTs) in patients with chronic RCTs. We compared biopsy specimens from LHBs in 34 patients with chronic RCTs and grossly normal LHBs in 8 patients undergoing shoulder hemiarthroplasty (controls). Duration of preoperative symptoms, the severity of RCTs, and macroscopic appearance of LHBs were recorded, classified, and compared with the histologic grading and apoptosis index of terminal deoxynucleotide transferase-mediated biotin-deoxy uridine triphosphate nick-end labeling (TUNEL) assays of LHBs. In the RCT group, there were 8 partial-thickness tears with 5 macroscopic LHB lesions, 12 full-thickness tears with 8 macroscopic LHB lesions, and 14 massive tears with 13 macroscopic LHB lesions. There were 6 LHB subluxations. However, the macroscopic grading and the symptom duration were not correlated with the severity of the histology. In patients with massive tears, no matter what the macroscopic appearance of the LHB, the proportion of end-stage (grade 4) histologic LHB tendinopathy significantly increased (85.7%, P < .05) compared with patients with other types of RCTs. There was a consistently high incidence of advanced LHB histology (grade 3 or higher) in each classification of RCTs (75.0%-100.0%). The 8 patients in the control group showed milder histopathology (grade 1 or 2). The apoptosis index significantly increased as the tendinopathy progressed (P < .05). The macroscopic pathology of LHB may not fully reflect the severity of tendinopathy, and the coexisting size of RCTs plays a role in the severity of LHB tendinopathy. Copyright © 2014 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Mosby, Inc. All rights reserved.

Electric Conduction in Semiconductors: A Pedagogical Model Based on the Monte Carlo Method

ERIC Educational Resources Information Center

Capizzo, M. C.; Sperandeo-Mineo, R. M.; Zarcone, M.

2008-01-01

We present a pedagogic approach aimed at modelling electric conduction in semiconductors in order to describe and explain some macroscopic properties, such as the characteristic behaviour of resistance as a function of temperature. A simple model of the band structure is adopted for the generation of electron-hole pairs as well as for the carrier…

BioProgrammable One, Two, and Three Dimensional Materials

DTIC Science & Technology

2017-01-18

or three- dimensional architectures. The Mirkin group has used DNA-functionalized nanoparticles as “programmable atom equivalents (PAEs)” as material...with electron beam lithography to simultaneously control material structure at the nano- and macroscopic length scales. The Nguyen group has...synthesized and assembled small molecule-DNA hybrids (SMDHs) as part of programmable atom equivalents . The Rosi group identified design rules for using

Why Has the Cost of Fixed-Wing Aircraft Risen? A Macroscopic Examination of the Trends in U.S. Military Aircraft Costs over the Past Several Decades

DTIC Science & Technology

2008-01-01

simple,” is the share of airframe structure that is neither tita - nium nor composite material. Unfortunately, only 49 of the 93 aircraft with...of airframe materials (or as simpler materials decrease), aircraft unit cost increases. Increasing the proportion of tita - nium and composite

Quantum Sensing of Mechanical Motion with a Single InAs Quantum Dot

DTIC Science & Technology

2017-03-01

Washing nc., Columbia Research La Tech, Black y of California , We comp in or...of coupled QDs in similar structures. We anticipate that this research will enable a new class of precision sensors based on solid state...nuclear materials. This research also has the potential to revolutionize the growing field of coupling quantum systems to macroscopic systems for

CNT fibers p-doped with F4TCNQ (2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane)

NASA Astrophysics Data System (ADS)

Lepak, Sandra; Boncel, Sławomir; Jóźwik, Iwona; Jakubowska, Małgorzata; Koziol, Krzysztof; Łekawa-Raus, Agnieszka

2017-08-01

Films and fibers made of carbon nanotubes were found to be promising materials for future electrical and electronic engineering. Despite of many advantages provided by these materials, they are not without problems. The biggest issue is that the macroscopic CNT structures, such as films or fibers, have much lower electrical conductivity values than it is for individual carbon nanotubes. And therefore researchers worldwide try to increase electrical properties of those macroscopic structures. One of the approaches scientists are currently investigating is chemical doping. Despite chemical doping has been already reported there is still a huge list of compounds that are capable to increase the conductivity values and has not been tested yet. In this work one of such compounds has been examined. It is a strong p-dopant 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ). The solution of F4TCNQ in three different solvents (chloroform, acetic acid and dimethylsulfoxide) has been prepared and applied on purified CNT films. Both electrical conductivity and specific conductivity was measured. The best electrical conductivity value achieved is 5,24·106 S·m-1. Samples were also observed under SEM.

Influence of fractal substructures of the percolating cluster on transferring processes in macroscopically disordered environments

NASA Astrophysics Data System (ADS)

Kolesnikov, B. P.

2017-11-01

The presented work belongs to the issue of searching for the effective kinetic properties of macroscopically disordered environments (MDE). These properties characterize MDE in general on the sizes which significantly exceed the sizes of macro inhomogeneity. The structure of MDE is considered as a complex of interpenetrating percolating and finite clusters consolidated from homonymous components, topological characteristics of which influence on the properties of the whole environment. The influence of percolating clusters’ fractal substructures (backbone, skeleton of backbone, red bonds) on the transfer processes during crossover (a structure transition from fractal to homogeneous condition) is investigated based on the offered mathematical approach for finding the effective conductivity of MDEs and on the percolating cluster model. The nature of the change of the critical conductivity index t during crossover from the characteristic value for the area close to percolation threshold to the value corresponded to homogeneous condition is demonstrated. The offered model describes the transfer processes in MDE with the finite conductivity relation of «conductive» and «low conductive» phases above and below percolation threshold and in smearing area (an analogue of a blur area of the second-order phase transfer).

Structure of Franciscan complex in the Stanley Mountain window, Southern Coast ranges, California

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

Korsch, R.J.

1982-11-01

Three sets of deformational events are recognized in the Franciscan Complex of the Stanley Mt. area, S. Coast ranges, California. First, in pre-melange time, shortening of the relatively cohesive sequence of interbedded graywacke and mudstone formed isoclinal folds and an axial-plane slaty cleavage. Second, fragmentation of the once cohesive sequence, probably over a considerable period of time, produced the configuration now considered a melange. Third, after the melange developed, the Franciscan Complex was deformed along with the surrounding upper Mesozoic Great Valley sequence into the Stanley Mt. antiform. In the cohesive Upper Cretaceous Carrie Creek Formation, macroscopic and mesoscopic foldsmore » have 2 predominant orientations. The less cohesive Franciscan Complex attempted to fold, as shown by the distribution of shear foliations on stereographic projections, but lack of lithologic continuity and slip along previously formed shear fractures prevents the recognition of macroscopic folds. Hence, in the Franciscan Complex of the Stanley Mt. window, several lines of evidence show that the melange structure is tectonic in origin, not just a tectonic imprint superimposed upon already chaotic rocks of sedimentary origin (olistostromes). 43 references.« less

Spatial self-organization of macroscopic quantum states of exciton-polaritons in acoustic lattices

NASA Astrophysics Data System (ADS)

Buller, J. V. T.; Cerda-Méndez, E. A.; Balderas-Navarro, R. E.; Biermann, K.; Santos, P. V.

2016-07-01

Exciton-polariton systems can sustain macroscopic quantum states (MQSs) under a periodic potential modulation. In this paper, we investigate the structure of these states in acoustic square lattices by probing their wave functions in real and momentum spaces using spectral tomography. We show that the polariton MQSs, when excited by a Gaussian laser beam, self-organize in a concentric structure, consisting of a single, two-dimensional gap-soliton (GS) state surrounded by one dimensional (1D) MQSs with lower energy. The latter form at hyperbolical points of the modulated polariton dispersion. While the size of the GS tends to saturate with increasing particle density, the emission region of the surrounding 1D states increases. The existence of these MQSs in acoustic lattices is quantitatively supported by a theoretical model based on the variational solution of the Gross-Pitaevskii equation. The formation of the 1D states in a ring around the central GS is attributed to the energy gradient in this region, which reduces the overall symmetry of the lattice. The results broaden the experimental understanding of self-localized polariton states, which may prove relevant for functionalities exploiting solitonic objects.

Special Relativity at the Quantum Scale

PubMed Central

Lam, Pui K.

2014-01-01

It has been suggested that the space-time structure as described by the theory of special relativity is a macroscopic manifestation of a more fundamental quantum structure (pre-geometry). Efforts to quantify this idea have come mainly from the area of abstract quantum logic theory. Here we present a preliminary attempt to develop a quantum formulation of special relativity based on a model that retains some geometric attributes. Our model is Feynman's “checker-board” trajectory for a 1-D relativistic free particle. We use this model to guide us in identifying (1) the quantum version of the postulates of special relativity and (2) the appropriate quantum “coordinates”. This model possesses a useful feature that it admits an interpretation both in terms of paths in space-time and in terms of quantum states. Based on the quantum version of the postulates, we derive a transformation rule for velocity. This rule reduces to the Einstein's velocity-addition formula in the macroscopic limit and reveals an interesting aspect of time. The 3-D case, time-dilation effect, and invariant interval are also discussed in term of this new formulation. This is a preliminary investigation; some results are derived, while others are interesting observations at this point. PMID:25531675

Special relativity at the quantum scale.

PubMed

Lam, Pui K

2014-01-01

It has been suggested that the space-time structure as described by the theory of special relativity is a macroscopic manifestation of a more fundamental quantum structure (pre-geometry). Efforts to quantify this idea have come mainly from the area of abstract quantum logic theory. Here we present a preliminary attempt to develop a quantum formulation of special relativity based on a model that retains some geometric attributes. Our model is Feynman's "checker-board" trajectory for a 1-D relativistic free particle. We use this model to guide us in identifying (1) the quantum version of the postulates of special relativity and (2) the appropriate quantum "coordinates". This model possesses a useful feature that it admits an interpretation both in terms of paths in space-time and in terms of quantum states. Based on the quantum version of the postulates, we derive a transformation rule for velocity. This rule reduces to the Einstein's velocity-addition formula in the macroscopic limit and reveals an interesting aspect of time. The 3-D case, time-dilation effect, and invariant interval are also discussed in term of this new formulation. This is a preliminary investigation; some results are derived, while others are interesting observations at this point.

Nonaxial hexadecapole deformation effects on the fission barrier

NASA Astrophysics Data System (ADS)

Kardan, A.; Nejati, S.

2016-06-01

Fission barrier of the heavy nucleus 250Cf is analyzed in a multi-dimensional deformation space. This space includes two quadrupole (ɛ2,γ) and three hexadecapole deformation (ɛ40,ɛ42,ɛ44) parameters. The analysis is performed within an unpaired macroscopic-microscopic approach. Special attention is given to the effects of the axial and non-axial hexadecapole deformation shapes. It is found that the inclusion of the nonaxial hexadecapole shapes does not change the fission barrier heights, so it should be sufficient to minimize the energy in only one degree of freedom in the hexadecapole space ɛ4. The role of hexadecapole deformation parameters is also discussed on the Lublin-Strasbourg drop (LSD) macroscopic and the Strutinsky shell energies.

Near-field interferometry of a free-falling nanoparticle from a point-like source

NASA Astrophysics Data System (ADS)

Bateman, James; Nimmrichter, Stefan; Hornberger, Klaus; Ulbricht, Hendrik

2014-09-01

Matter-wave interferometry performed with massive objects elucidates their wave nature and thus tests the quantum superposition principle at large scales. Whereas standard quantum theory places no limit on particle size, alternative, yet untested theories—conceived to explain the apparent quantum to classical transition—forbid macroscopic superpositions. Here we propose an interferometer with a levitated, optically cooled and then free-falling silicon nanoparticle in the mass range of one million atomic mass units, delocalized over >150 nm. The scheme employs the near-field Talbot effect with a single standing-wave laser pulse as a phase grating. Our analysis, which accounts for all relevant sources of decoherence, indicates that this is a viable route towards macroscopic high-mass superpositions using available technology.

A theoretical analysis of fluid flow and energy transport in hydrothermal systems

USGS Publications Warehouse

Faust, Charles R.; Mercer, James W.

1977-01-01

A mathematical derivation for fluid flow and energy transport in hydrothermal systems is presented. Specifically, the mathematical model describes the three-dimensional flow of both single- and two-phase, single-component water and the transport of heat in porous media. The derivation begins with the point balance equations for mass, momentum, and energy. These equations are then averaged over a finite volume to obtain the macroscopic balance equations for a porous medium. The macroscopic equations are combined by appropriate constitutive relationships to form two similified partial differential equations posed in terms of fluid pressure and enthalpy. A two-dimensional formulation of the simplified equations is also derived by partial integration in the vertical dimension. (Woodard-USGS)

ESR Analysis of Polymer Photo-Oxidation

NASA Technical Reports Server (NTRS)

Kim, Soon Sam; Liang, Ranty Hing; Tsay, Fun-Dow; Gupta, Amitave

1987-01-01

Electron-spin resonance identifies polymer-degradation reactions and their kinetics. New technique enables derivation of kinetic model of specific chemical reactions involved in degradation of particular polymer. Detailed information provided by new method enables prediction of aging characteristics long before manifestation of macroscopic mechanical properties.

The Emergence of Temporal Structures in Dynamical Systems

NASA Astrophysics Data System (ADS)

Mainzer, Klaus

2010-10-01

Dynamical systems in classical, relativistic and quantum physics are ruled by laws with time reversibility. Complex dynamical systems with time-irreversibility are known from thermodynamics, biological evolution, growth of organisms, brain research, aging of people, and historical processes in social sciences. Complex systems are systems that compromise many interacting parts with the ability to generate a new quality of macroscopic collective behavior the manifestations of which are the spontaneous emergence of distinctive temporal, spatial or functional structures. But, emergence is no mystery. In a general meaning, the emergence of macroscopic features results from the nonlinear interactions of the elements in a complex system. Mathematically, the emergence of irreversible structures is modelled by phase transitions in non-equilibrium dynamics of complex systems. These methods have been modified even for chemical, biological, economic and societal applications (e.g., econophysics). Emergence of irreversible structures can also be simulated by computational systems. The question arises how the emergence of irreversible structures is compatible with the reversibility of fundamental physical laws. It is argued that, according to quantum cosmology, cosmic evolution leads from symmetry to complexity of irreversible structures by symmetry breaking and phase transitions. Thus, arrows of time and aging processes are not only subjective experiences or even contradictions to natural laws, but they can be explained by quantum cosmology and the nonlinear dynamics of complex systems. Human experiences and religious concepts of arrows of time are considered in a modern scientific framework. Platonic ideas of eternity are at least understandable with respect to mathematical invariance and symmetry of physical laws. Heraclit’s world of change and dynamics can be mapped onto our daily real-life experiences of arrows of time.

Crustal stress and structure at Kīlauea Volcano inferred from seismic anisotropy: Chapter 12

USGS Publications Warehouse

Johnson, Jessica H.; Swanson, Donald; Roman, Diana C.; Poland, Michael P.; Thelen, Weston A.; Carey, Rebecca; Cayol, Valérie; Poland, Michael P.; Weis, Dominique

2015-01-01

Seismic anisotropy, measured through shear wave splitting (SWS) analysis, can be indicative of the state of stress in Earth's crust. Changes in SWS at Kīlauea Volcano, Hawai‘i, associated with the onset of summit eruptive activity in 2008 hint at the potential of the technique for tracking volcanic activity. To use SWS observations as a monitoring tool, however, it is important to understand the cause of seismic anisotropy at the volcano throughout the eruptive cycle. To address this need, we analyzed SWS results from across Kīlauea in combination with macroscopic surface structures (mapped fractures, faults, and fissures) and stress orientations inferred from fault plane solutions. Seismic anisotropy seems to be due to pervasive aligned structures in most regions of the volcano. The upper East and Southwest Rift Zones, however, show a bimodality in stress and SWS, suggesting a stress discontinuity with depth, perhaps related to magma conduits that trend obliquely to the dominant structure. Other areas in and around Kīlauea Caldera display principal stresses of similar magnitudes, indicating that small stress perturbations can rotate the maximum horizontal compressive stress direction by up to 90°. In these locations, static structures generally control SWS, but dynamic conditions due to magmatic activity can override the structural control. Monitoring of SWS may therefore provide important signs of impending volcanism.

Deformation-induced spatiotemporal fluctuation, evolution and localization of strain fields in a bulk metallic glass

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

Wu, Yuan; Bei, Hongbin; Wang, Yanli

Deformation behavior and local strain evolutions upon loading and unloading of a bulk metallic glass (BMG) were systematically investigated by in situ digital image correlation (DIC). Distinct fluctuations and irreversible local strains were observed before the onset of macroscopic yielding. Statistical analysis shows that these fluctuations might be related to intrinsic structural heterogeneities, and that the evolution history and characteristics of local strain fields play an important role in the subsequent initiation of shear bands. Effects of sample size, pre-strain, and loading conditions were systematically analyzed in terms of the probability distributions of the resulting local strain fields. It ismore » found that a higher degree of local shear strain heterogeneity corresponds to a more ductile stressestrain curve. Implications of these findings are discussed for the design of new materials.« less

Marine polysaccharides in microencapsulation and application to aquaculture: "from sea to sea".

PubMed

Borgogna, Massimiliano; Bellich, Barbara; Cesàro, Attilio

2011-12-01

This review's main objective is to discuss some physico-chemical features of polysaccharides as intrinsic determinants for the supramolecular structures that can efficiently provide encapsulation of drugs and other biological entities. Thus, the general characteristics of some basic polysaccharides are outlined in terms of their conformational, dynamic and thermodynamic properties. The analysis of some polysaccharide gelling properties is also provided, including the peculiarity of the charged polysaccharides. Then, the way the basic physical chemistry of polymer self-assembly is made in practice through the laboratory methods is highlighted. A description of the several literature procedures used to influence molecular interactions into the macroscopic goal of the encapsulation is given with an attempt at classification. Finally, a practical case study of specific interest, the use of marine polysaccharide matrices for encapsulation of vaccines in aquaculture, is reported.

How market structure drives commodity prices

NASA Astrophysics Data System (ADS)

Li, Bin; Wong, K. Y. Michael; Chan, Amos H. M.; So, Tsz Yan; Heimonen, Hermanni; Wei, Junyi; Saad, David

2017-11-01

We introduce an agent-based model, in which agents set their prices to maximize profit. At steady state the market self-organizes into three groups: excess producers, consumers and balanced agents, with prices determined by their own resource level and a couple of macroscopic parameters that emerge naturally from the analysis, akin to mean-field parameters in statistical mechanics. When resources are scarce prices rise sharply below a turning point that marks the disappearance of excess producers. To compare the model with real empirical data, we study the relationship between commodity prices and stock-to-use ratios in a range of commodities such as agricultural products and metals. By introducing an elasticity parameter to mitigate noise and long-term changes in commodities data, we confirm the trend of rising prices, provide evidence for turning points, and indicate yield points for less essential commodities.

Mid-Infrared Spectroscopy Platform Based on GaAs/AlGaAs Thin-Film Waveguides and Quantum Cascade Lasers.

PubMed

Sieger, Markus; Haas, Julian; Jetter, Michael; Michler, Peter; Godejohann, Matthias; Mizaikoff, Boris

2016-03-01

The performance and versatility of GaAs/AlGaAs thin-film waveguide technology in combination with quantum cascade lasers for mid-infrared spectroscopy in comparison to conventional FTIR spectroscopy is presented. Infrared radiation is provided by a quantum cascade laser (QCL) spectrometer comprising four tunable QCLs providing a wavelength range of 5-11 μm (1925-885 cm(-1)) within a single collimated beam. Epitaxially grown GaAs slab waveguides serve as optical transducer for tailored evanescent field absorption analysis. A modular waveguide mounting accessory specifically designed for on-chip thin-film GaAs waveguides is presented serving as a flexible analytical platform in lieu of conventional attenuated total reflection (ATR) crystals uniquely facilitating macroscopic handling and alignment of such microscopic waveguide structures in real-world application scenarios.

Deformation-induced spatiotemporal fluctuation, evolution and localization of strain fields in a bulk metallic glass

DOE PAGES

Wu, Yuan; Bei, Hongbin; Wang, Yanli; ...

2015-05-16

Deformation behavior and local strain evolutions upon loading and unloading of a bulk metallic glass (BMG) were systematically investigated by in situ digital image correlation (DIC). Distinct fluctuations and irreversible local strains were observed before the onset of macroscopic yielding. Statistical analysis shows that these fluctuations might be related to intrinsic structural heterogeneities, and that the evolution history and characteristics of local strain fields play an important role in the subsequent initiation of shear bands. Effects of sample size, pre-strain, and loading conditions were systematically analyzed in terms of the probability distributions of the resulting local strain fields. It ismore » found that a higher degree of local shear strain heterogeneity corresponds to a more ductile stressestrain curve. Implications of these findings are discussed for the design of new materials.« less

History of reptile placentology, part III: Giacomini's 1891 histological monograph on lizard placentation.

PubMed

Blackburn, D G; Paulesu, L; Avanzati, A M; Roth, M

2017-12-01

By the 1890s, placental arrangements had been documented macroscopically in lizards and fishes, but placental studies on such species lagged far behind research on mammals. In 1891, the biologist Ercole Giacomini (at the University of Siena, Italy) published the first histological analysis of a reptile placenta. Focusing on a placentotrophic lizard (Chalcides chalcides) with a morphologically complex placenta, Giacomini documented the histological and cellular bases for placental nutrient transfer and gas exchange. In conjunction with a follow-up study in 1906, he demonstrated that placental structure is correlated with function and can vary dramatically between related species. Giacomini's work was highly influential in showing that placentation in lizards had converged evolutionarily on that of mammals, while establishing reptile placentology as a highly promising area for future research. Copyright © 2017 Elsevier Ltd. All rights reserved.

Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic.

PubMed

Lovchinsky, I; Sushkov, A O; Urbach, E; de Leon, N P; Choi, S; De Greve, K; Evans, R; Gertner, R; Bersin, E; Müller, C; McGuinness, L; Jelezko, F; Walsworth, R L; Park, H; Lukin, M D

2016-02-19

Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition. Copyright © 2016, American Association for the Advancement of Science.

Variability of the resulting microdeformation field in the Zn1 - x V x Se crystals (0.01 ≤ x ≤ 0.10)

NASA Astrophysics Data System (ADS)

Maksimov, V. I.; Maksimova, E. N.; Surkova, T. P.

2018-01-01

A detailed neutronographic study of the bulk ZnSe crystals doped with vanadium up to the content commensurate with the solubility limit in a semiconductor matrix has been carried out for the first time at room temperature. The data that characterize nonuniformly-deformed states based on the cubic structural modification of the II-VI compounds are obtained. A simplified analysis of the broadening patterns of the diffraction profiles of main Bragg reflexes of the studied crystals shows that the resulting deformation covers macroscopic volumes, and the distribution of vanadium ions in the given cases may significantly deviate from the uniform distribution over volume. Relative to the initial cubic lattice, dominating trends towards symmetry changes preceding the phase stratification in the ZnSe crystals heavily doped with vanadium are revealed.

Macroscopic modeling of freeway traffic using an artificial neural network

DOT National Transportation Integrated Search

1997-01-01

Traffic flow on freeways is a complex process that often is described by a set of highly nonlinear, dynamic equations in the form of a macroscopic traffic flow model. However, some of the existing macroscopic models have been found to exhibit instabi...

Uncovering low dimensional macroscopic chaotic dynamics of large finite size complex systems

NASA Astrophysics Data System (ADS)

Skardal, Per Sebastian; Restrepo, Juan G.; Ott, Edward

2017-08-01

In the last decade, it has been shown that a large class of phase oscillator models admit low dimensional descriptions for the macroscopic system dynamics in the limit of an infinite number N of oscillators. The question of whether the macroscopic dynamics of other similar systems also have a low dimensional description in the infinite N limit has, however, remained elusive. In this paper, we show how techniques originally designed to analyze noisy experimental chaotic time series can be used to identify effective low dimensional macroscopic descriptions from simulations with a finite number of elements. We illustrate and verify the effectiveness of our approach by applying it to the dynamics of an ensemble of globally coupled Landau-Stuart oscillators for which we demonstrate low dimensional macroscopic chaotic behavior with an effective 4-dimensional description. By using this description, we show that one can calculate dynamical invariants such as Lyapunov exponents and attractor dimensions. One could also use the reconstruction to generate short-term predictions of the macroscopic dynamics.

In situ studies of velocity in fractured crystalline rocks.

USGS Publications Warehouse

Moos, D.; Zoback, M.D.

1983-01-01

A study of the effects of macroscopic fractures on P and S wave velocities has been conducted in four wells drilled in granitic rock to depths between 0.6 and 1.2km. The effect of macroscopic fractures is to decrease both Vp and Vs and increase Vp/Vs. In wells with a relatively low density of macroscopic fractures, the in situ velocity is similar to that of saturated core samples under confining pressure in the laboratory, and there is a clear correlation between zones with macroscopic fractures and anomalously low velocities. In wells with numerous macroscopic fractures, the in situ velocity is lower than that of intact samples under pressure, and there is a correlation between the rate at which in situ velocity increases with depth and the rate at which the velocity of laboratory samples increases with pressure. Differences in in situ P wave velocity between wells cannot be explained solely by differences in the degree of macroscopic fracturing, thus emphasizing the importance of composition and microcracks on velocity.-from Authors

Systematic analysis of inelastic α scattering off self-conjugate A =4 n nuclei

NASA Astrophysics Data System (ADS)

Adachi, S.; Kawabata, T.; Minomo, K.; Kadoya, T.; Yokota, N.; Akimune, H.; Baba, T.; Fujimura, H.; Fujiwara, M.; Funaki, Y.; Furuno, T.; Hashimoto, T.; Hatanaka, K.; Inaba, K.; Ishii, Y.; Itoh, M.; Iwamoto, C.; Kawase, K.; Maeda, Y.; Matsubara, H.; Matsuda, Y.; Matsuno, H.; Morimoto, T.; Morita, H.; Murata, M.; Nanamura, T.; Ou, I.; Sakaguchi, S.; Sasamoto, Y.; Sawada, R.; Shimizu, Y.; Suda, K.; Tamii, A.; Tameshige, Y.; Tsumura, M.; Uchida, M.; Uesaka, T.; Yoshida, H. P.; Yoshida, S.

2018-01-01

We systematically measured the differential cross sections of inelastic α scattering off self-conjugate A =4 n nuclei at two incident energies Eα=130 MeV and 386 MeV at Research Center for Nuclear Physics, Osaka University. The measured cross sections were analyzed by the distorted-wave Born-approximation (DWBA) calculation using the single-folding potentials, which are obtained by folding macroscopic transition densities with the phenomenological α N interaction. The DWBA calculation with the density-dependent α N interaction systematically overestimates the cross sections for the Δ L =0 transitions. However, the DWBA calculation using the density-independent α N interaction reasonably well describes all the transitions with Δ L =0 -4. We examined uncertainties in the present DWBA calculation stemming from the macroscopic transition densities, distorting potentials, phenomenological α N interaction, and coupled channel effects in 12C. It was found that the DWBA calculation is not sensitive to details of the transition densities nor the distorting potentials, and the phenomenological density-independent α N interaction gives reasonable results. The coupled-channel effects are negligibly small for the 21+ and 31- states in 12C, but not for the 02+ state. However, the DWBA calculation using the density-independent interaction at Eα=386 MeV is still reasonable even for the 02+ state. We concluded that the macroscopic DWBA calculations using the density-independent interaction are reliably applicable to the analysis of inelastic α scattering at Eα˜100 MeV /u .

Macroscopic and histological characteristics of retained placenta: A prospectively collected case-control study.

PubMed

Endler, Margit; Saltvedt, Sissel; Papadogiannakis, Nikos

2016-05-01

Retained placenta is a potentially fatal obstetric disorder due to postpartum hemorrhage, its pathophysiology is however unknown. We aimed to assess if retained placenta was associated with increased macroscopic and histological signs of placental maternal underperfusion, a pattern otherwise seen in preeclampsia and other disorders of defective placentation. This was a case-control study of retained (n = 49) and non-retained (n = 47) placentas, collected from full-term singleton and otherwise healthy pregnancies, carried out at a tertiary level obstetric department. Macroscopic and histological analysis was performed. Signs of maternal placental underperfusion and signs of placental inflammation, fetal vascular thrombo-occlusive disease and increased placental attachment were recorded in a primary and secondary analysis respectively. Variables were compared groupwise using unconditional logistic regression or comparison of median or mean values. Compared to non-retained placentas retained placentas had a significantly smaller surface area (p = 0.05), were more oblong in shape (OR 5.24 95% CI:1.34-20.21) and showed overall more signs of maternal underperfusion (OR 2.52 95% CI: 1.07-5.87). There was no significant difference in signs of placental inflammation, fetal vascular thrombo-occlusive disease or placenta accreta but basal plate myometrial fibers were more common among retained placentas. In regard to shape, surface area and histological signs of maternal placental underperfusion, retained placentas showed a histological pattern similar to that seen in preeclamptic placentas. Copyright © 2016 Elsevier Ltd. All rights reserved.

Assessing the application of tooth cementum annulation relative to macroscopic aging techniques in an archeological sample.

PubMed

Gauthier, J; Schutkowski, H

2013-02-01

The analysis of human skeletal remains is frequently impeded by the lack of adequately preserved morphological markers on which to base age estimation, particularly in archeological contexts. Therefore, histological methods such as tooth cementum annulation analysis can be useful for extracting reliable age estimates from poorly preserved skeletons, if they produce results corresponding to morphologically based, multifactorial assessments. In order to test this presumption, this study compares tooth cementum annulation (TCA) with macroscopic age estimation results incorporating the Brooks-Suchey pubic symphysis and the Buckberry-Chamberlain revised auricular surface methods, as well as Brothwell's guidelines for analyzing dental attrition. Undecalcified, polished, and unstained transverse thin sections viewed using standard light microscopy, with decentered phase contrast microscopy in cases of poorly delineated cementum annulations, were used for TCA counts. Age estimates were applied independently on the late medieval archeological Box Lane cemetery assemblage from Pontefract, England, to analyze their measure of correspondence and to assess whether data produced by a single histological technique are comparable to information pooled from multiple morphological age markers. Spearman's rank correlation tests resulted in a significant association between TCA and morphological age estimates. Further studies using larger samples of known age material would help to improve our understanding of TCA age estimation performance relative to macroscopic age assessment as well as continued refinement and standardization of cementum sectioning, which is suggested to impact annulation visibility. Copyright © 2012 Elsevier GmbH. All rights reserved.

Prediction of shock initiation thresholds and ignition probability of polymer-bonded explosives using mesoscale simulations

NASA Astrophysics Data System (ADS)

Kim, Seokpum; Wei, Yaochi; Horie, Yasuyuki; Zhou, Min

2018-05-01

The design of new materials requires establishment of macroscopic measures of material performance as functions of microstructure. Traditionally, this process has been an empirical endeavor. An approach to computationally predict the probabilistic ignition thresholds of polymer-bonded explosives (PBXs) using mesoscale simulations is developed. The simulations explicitly account for microstructure, constituent properties, and interfacial responses and capture processes responsible for the development of hotspots and damage. The specific mechanisms tracked include viscoelasticity, viscoplasticity, fracture, post-fracture contact, frictional heating, and heat conduction. The probabilistic analysis uses sets of statistically similar microstructure samples to directly mimic relevant experiments for quantification of statistical variations of material behavior due to inherent material heterogeneities. The particular thresholds and ignition probabilities predicted are expressed in James type and Walker-Wasley type relations, leading to the establishment of explicit analytical expressions for the ignition probability as function of loading. Specifically, the ignition thresholds corresponding to any given level of ignition probability and ignition probability maps are predicted for PBX 9404 for the loading regime of Up = 200-1200 m/s where Up is the particle speed. The predicted results are in good agreement with available experimental measurements. A parametric study also shows that binder properties can significantly affect the macroscopic ignition behavior of PBXs. The capability to computationally predict the macroscopic engineering material response relations out of material microstructures and basic constituent and interfacial properties lends itself to the design of new materials as well as the analysis of existing materials.

Ochronosis in a murine model of alkaptonuria is synonymous to that in the human condition

PubMed Central

Taylor, A.M.; Preston, A.J.; Paulk, N.K.; Sutherland, H.; Keenan, C.M.; Wilson, P.J.M.; Wlodarski, B.; Grompe, M.; Ranganath, L.R.; Gallagher, J.A.; Jarvis, J.C.

2012-01-01

Objective Alkaptonuria (AKU) is a rare genetic disease which results in severe early onset osteoarthropathy. It has recently been shown that the subchondral interface is of key significance in disease pathogenesis. Human surgical tissues are often beyond this initial stage and there is no published murine model of pathogenesis, to study the natural history of the disease. The murine genotype exists but it has been reported not to demonstrate ochronotic osteoarthropathy consistent with the human disease. Recent anecdotal evidence of macroscopic renal ochronosis in a mouse model of tyrosinaemia led us to perform histological analysis of tissues of these mice that are known to be affected in human AKU. Design The homogentisate 1,2-dioxygenase Hgd+/−Fah−/− mouse can model either hereditary tyrosinaemia type I (HT1) or AKU depending on selection conditions. Mice having undergone Hgd reversion were sacrificed at various time points, and their tissues taken for histological analysis. Sections were stained with haematoxylin eosin (H&E) and Schmorl’s reagent. Results Early time point observations at 8 months showed no sign of macroscopic ochronosis of tissues. Macroscopic examination at 13 months revealed ochronosis of the kidneys. Microscopic analysis of the kidneys revealed large pigmented nodules displaying distinct ochre colouration. Close microscopic examination of the distal femur and proximal fibula at the subchondral junctions revealed the presence of numerous pigmented chondrocytes. Conclusions Here we present the first data showing ochronosis of tissues in a murine model of AKU. These preliminary histological observations provide a stimulus for further studies into the natural history of the disease to provide a greater understanding of this class of arthropathy. PMID:22542924