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Sample records for isotropic negative thermal

  1. Isotropic Negative Thermal Expansion Metamaterials.

    PubMed

    Wu, Lingling; Li, Bo; Zhou, Ji

    2016-07-13

    Negative thermal expansion materials are important and desirable in science and engineering applications. However, natural materials with isotropic negative thermal expansion are rare and usually unsatisfied in performance. Here, we propose a novel method to achieve two- and three-dimensional negative thermal expansion metamaterials via antichiral structures. The two-dimensional metamaterial is constructed with unit cells that combine bimaterial strips and antichiral structures, while the three-dimensional metamaterial is fabricated by a multimaterial 3D printing process. Both experimental and simulation results display isotropic negative thermal expansion property of the samples. The effective coefficient of negative thermal expansion of the proposed models is demonstrated to be dependent on the difference between the thermal expansion coefficient of the component materials, as well as on the circular node radius and the ligament length in the antichiral structures. The measured value of the linear negative thermal expansion coefficient of the three-dimensional sample is among the largest achieved in experiments to date. Our findings provide an easy and practical approach to obtaining materials with tunable negative thermal expansion on any scale.

  2. Atomic Linkage Flexibility Tuned Isotropic Negative, Zero, and Positive Thermal Expansion in MZrF6 (M = Ca, Mn, Fe, Co, Ni, and Zn).

    PubMed

    Hu, Lei; Chen, Jun; Xu, Jiale; Wang, Na; Han, Fei; Ren, Yang; Pan, Zhao; Rong, Yangchun; Huang, Rongjin; Deng, Jinxia; Li, Laifeng; Xing, Xianran

    2016-11-09

    The controllable isotropic thermal expansion with a broad coefficient of thermal expansion (CTE) window is intriguing but remains challenge. Herein we report a cubic MZrF6 series (M = Ca, Mn, Fe, Co, Ni and Zn), which exhibit controllable thermal expansion over a wide temperature range and with a broader CTE window (-6.69 to +18.23 × 10(-6)/K). In particular, an isotropic zero thermal expansion (ZTE) is achieved in ZnZrF6, which is one of the rarely documented high-temperature isotropic ZTE compounds. By utilizing temperature-dependent high-energy synchrotron X-ray total scattering diffraction, it is found that the flexibility of metal···F atomic linkages in MZrF6 plays a critical role in distinct thermal expansions. The flexible metal···F atomic linkages induce negative thermal expansion (NTE) for CaZrF6, whereas the stiff ones bring positive thermal expansion (PTE) for NiZrF6. Thermal expansion could be transformed from striking negative, to zero, and finally to considerable positive though tuning the flexibility of metal···F atomic linkages by substitution with a series of cations on M sites of MZrF6. The present study not only extends the scope of NTE families and rare high-temperature isotropic ZTE compounds but also proposes a new method to design systematically controllable isotropic thermal expansion frameworks from the perspective of atomic linkage flexibility.

  3. Large isotropic negative thermal expansion above a structural quantum phase transition

    SciTech Connect

    Handunkanda, Sahan Uddika; Curry, Erin B.; Voronov, Vladimir; Said, Ayman H.; Guzman-Verri, Gian G.; Brierley, Richard; Littlewood, Peter B.; Hancock, Jason N.

    2015-10-01

    Perovskite structured materials contain myriad tunable ordered phases of electronic and magnetic origin with proven technological importance and strong promise for a variety of energy solutions. An always-contributing influence beneath these cooperative and competing interactions is the lattice, whose physics may be obscured in complex perovskites by the many coupled degrees of freedom which makes these systems interesting. Here we report signatures of an approach to a quantum phase transition very near the ground state of the nonmagnetic, ionic insulating, simple cubic perovskite material ScF3 and show that its physical properties are strongly effected as much as 100 K above the putative transition. Spatial and temporal correlations in the high-symmetry cubic phase determined using energy- and momentum-resolved inelastic X-ray scattering as well as X-ray diffraction reveal that soft mode, central peak and thermal expansion phenomena are all strongly influenced by the transition.

  4. Atomic Linkage Flexibility Tuned Isotropic Negative, Zero, and Positive Thermal Expansion in MZrF6 (M = Ca, Mn, Fe, Co, Ni, and Zn)

    DOE PAGES

    Hu, Lei; Chen, Jun; Xu, Jiale; ...

    2016-10-26

    The controllable isotropic thermal expansion with a broad coefficient of thermal expansion (CTE) window is intriguing but remains challenge. Herein we report a cubic MZrF6 series (M = Ca, Mn, Fe, Co, Ni and Zn), which exhibit controllable thermal expansion over a wide temperature range and with a broader CTE window (–6.69 to +18.23 × 10–6/K). In particular, an isotropic zero thermal expansion (ZTE) is achieved in ZnZrF6, which is one of the rarely documented hightemperature isotropic ZTE compounds. By utilizing temperature dependent high-energy synchrotron X-ray total scattering diffraction, it is found that the flexibility of metal···F atomic linkages inmore » MZrF6 plays a critical role in distinct thermal expansions. The flexible metal···F atomic linkages induce negative thermal expansion (NTE) for CaZrF6, whereas the stiff ones bring positive thermal expansion (PTE) for 6. Thermal expansion could be transformed from striking negative, to zero, and finally to considerable positive though tuning the flexibility of metal···F atomic linkages by substitution with a series of cations on M sites of MZrF6. In conclusion, the present study not only extends the scope of NTE families and rare high-temperature isotropic ZTE compounds but also proposes a new method to design systematically controllable isotropic thermal expansion frameworks from the perspective of atomic linkage flexibility.« less

  5. Atomic Linkage Flexibility Tuned Isotropic Negative, Zero, and Positive Thermal Expansion in MZrF6 (M = Ca, Mn, Fe, Co, Ni, and Zn)

    SciTech Connect

    Hu, Lei; Chen, Jun; Xu, Jiale; Wang, Na; Han, Fei; Ren, Yang; Pan, Zhao; Rong, Yangchun; Huang, Rongjin; Deng, Jinxia; Li, Laifeng; Xing, Xianran

    2016-10-26

    The controllable isotropic thermal expansion with a broad coefficient of thermal expansion (CTE) window is intriguing but remains challenge. Herein we report a cubic MZrF6 series (M = Ca, Mn, Fe, Co, Ni and Zn), which exhibit controllable thermal expansion over a wide temperature range and with a broader CTE window (–6.69 to +18.23 × 10–6/K). In particular, an isotropic zero thermal expansion (ZTE) is achieved in ZnZrF6, which is one of the rarely documented hightemperature isotropic ZTE compounds. By utilizing temperature dependent high-energy synchrotron X-ray total scattering diffraction, it is found that the flexibility of metal···F atomic linkages in MZrF6 plays a critical role in distinct thermal expansions. The flexible metal···F atomic linkages induce negative thermal expansion (NTE) for CaZrF6, whereas the stiff ones bring positive thermal expansion (PTE) for 6. Thermal expansion could be transformed from striking negative, to zero, and finally to considerable positive though tuning the flexibility of metal···F atomic linkages by substitution with a series of cations on M sites of MZrF6. In conclusion, the present study not only extends the scope of NTE families and rare high-temperature isotropic ZTE compounds but also proposes a new method to design systematically controllable isotropic thermal expansion frameworks from the perspective of atomic linkage flexibility.

  6. Negative Poisson's ratio materials via isotropic interactions.

    PubMed

    Rechtsman, Mikael C; Stillinger, Frank H; Torquato, Salvatore

    2008-08-22

    We show that under tension a classical many-body system with only isotropic pair interactions in a crystalline state can, counterintuitively, have a negative Poisson's ratio, or auxetic behavior. We derive the conditions under which the triangular lattice in two dimensions and lattices with cubic symmetry in three dimensions exhibit a negative Poisson's ratio. In the former case, the simple Lennard-Jones potential can give rise to auxetic behavior. In the latter case, a negative Poisson's ratio can be exhibited even when the material is constrained to be elastically isotropic.

  7. Near isotropic behavior of turbulent thermal convection

    NASA Astrophysics Data System (ADS)

    Nath, Dinesh; Pandey, Ambrish; Kumar, Abhishek; Verma, Mahendra K.

    2016-10-01

    We investigate the anisotropy in turbulent convection in a three-dimensional (3D) box using direct numerical simulation. We compute the anisotropic parameter A =u⊥2/(2 u∥2) , where u⊥ and u∥ are the components of velocity perpendicular and parallel to the buoyancy direction, the shell and ring spectra, and shell-to-shell energy transfers. We observe that the flow is nearly isotropic for the Prandtl number Pr ≈1 , but the anisotropy increases with the Prandtl number. For Pr =∞ ,A ≈0.3 , anisotropy is not very significant even in extreme cases. We also observe that u∥ feeds energy to u⊥ via pressure. The computation of shell-to-shell energy transfers reveals that the energy transfer in turbulent convection is local and forward, similar to hydrodynamic turbulence. These results are consistent with the Kolmogorov's spectrum observed by Kumar et al. [Phys. Rev. E 90, 023016 (2014), 10.1103/PhysRevE.90.023016] for turbulent convection.

  8. Nematic - isotropic phase transition in turbulent thermal convection

    NASA Astrophysics Data System (ADS)

    Ahlers, Guenter; Weiss, Stephan

    2013-11-01

    The nematic-isotropic transition of a liquid crystal (LC) at a temperature TNI is an example of a soft phase transition, where fluid properties, although discontinuous, change only very little and where the latent heat is small. Understanding thermal convection in the presence of such a phase change is relevant to convection in Earth's mantle where discontinuous changes of the crystalline structure occur. We report on turbulent Rayleigh-Bénard convection of a nematic LC while it undergoes a transition from the nematic to the isotropic phase in a cylindrical convection cell with aspect ratio Γ (height over diameter) of 0.50. The difference between the top- and the bottom-plate temperature ΔT =Tb -Tt was held constant, while the average temperature Tm = (Tb +Tt) / 2 was varied. There was a significant increase of heat transport when TNI was between Tb and Tt. Measurements of the temperatures along the side wall as a function of Tm showed several ranges with qualitatively different behavior of quantities such as the time-averaged side-wall temperature, temperature gradient, or temperature fluctuations. We interpret these different ranges in terms of processes in the thermal boundary layers close to the top and bottom plates. SW acknowledges support by the Deutsche Forschungsgemeinschaft. This work was supported by the U.S. National Science Foundation through Grant No. DMR11-58514.

  9. Isotropic Zero Thermal Expansion and Local Vibrational Dynamics in (Sc,Fe)F3.

    PubMed

    Qin, Feiyu; Chen, Jun; Aydemir, Umut; Sanson, Andrea; Wang, Lu; Pan, Zhao; Xu, Jiale; Sun, Chengjun; Ren, Yang; Deng, Jinxia; Yu, Ranbo; Hu, Lei; Snyder, G Jeffrey; Xing, Xianran

    2017-09-18

    Scandium fluoride (ScF3) exhibits a pronounced negative thermal expansion (NTE), which can be suppressed and ultimately transformed into an isotropic zero thermal expansion (ZTE) by partially substituting Sc with Fe in (Sc0.8Fe0.2)F3 (Fe20). The latter displays a rather small coefficient of thermal expansion of -0.17 × 10(-6)/K from 300 to 700 K. Synchrotron X-ray and neutron pair distribution functions confirm that the Sc/Fe-F bond has positive thermal expansion (PTE). Local vibrational dynamics based on extended X-ray absorption fine structure indicates a decreased anisotropy of relative vibration in the Sc/Fe-F bond. Combined analysis proposes a delicate balance between the counteracting effects of the chemical bond PTE and NTE from transverse vibration. The present study extends the scope of isotropic ZTE compounds and, more significantly, provides a complete local vibrational dynamics to shed light on the ZTE mechanism in chemically tailored NTE compounds.

  10. Isotropic optical negative index of refraction metamaterials composed of randomly arranged nanoparticles

    NASA Astrophysics Data System (ADS)

    Kussow, Adil-Gerai; Akyurtlu, Alkim

    2007-03-01

    We report a strategy for achieving fully isotropic negative refraction index in a homogenized composite medium (HCM) conceptualized using both Maxwell-Garnett's and Lewin's effective medium formulations. The HCM consists of two isotropic dielectric-magnetic media (DMM): one DMM (randomly distributed small gold nanoparticles in free space) provides only negative permittivity, and another DMM (spherical SiC particles) provides only negative permeability via the Mie resonance. We prove, in the framework of the effective medium approach, that the mixture of DMMs (with properly adjusted fill factors and sizes of Au and SiC particles) exhibits isotropic negative refraction index metamaterial (NIM) behavior with negative refraction index of in a broad frequency range of the optical part of the spectrum. This result stands for both random distribution of the spherical constituent SiC particles (or Maxwell-Garnett arrangement), and the regular simple-cubic lattice of the same particles (Lewin's arrangement). Due to the high 3D isotropy of both models, both the analytical and numerical solutions of the scattering problems were found to be close to each other, and NIM behavior has been demonstrated. The calculations were carried out accurately taking into account the losses due to both gold and SiC nanoparticles.

  11. Thermal buckling analysis of isotropic and composite plates with a hole

    SciTech Connect

    Chang, Jenshian; Shiao, Fengjen )

    1990-01-01

    Thermal buckling of both circular isotropic plates and square antisymmetric angle-ply laminates with a hole in the middle, and subject to a uniform temperature rise is analyzed by either closed-form solution for the former or finite-element method for the latter. Thin-plate theory is used to analyze the isotropic plates. However, a high-order displacement theory including high-order terms along the transverse direction taking into account transverse normal strain is used in the case of laminates. Results for the isotropic plates indicate that, in contrast to the reduction in mechanical buckling loads due to the hole, the thermal buckling temperature actually rises as the size of the hole increases, which indicates that the effect on stress reduction exceeds that on stiffness decrease. Results are more complicated for laminated plates, due to anisotropy. 14 refs.

  12. Optical rogue waves associated with the negative coherent coupling in an isotropic medium

    NASA Astrophysics Data System (ADS)

    Sun, Wen-Rong; Tian, Bo; Jiang, Yan; Zhen, Hui-Ling

    2015-02-01

    Optical rogue waves of the coupled nonlinear Schrödinger equations with negative coherent coupling, which describe the propagation of orthogonally polarized optical waves in an isotropic medium, are reported. We construct and discuss a family of the vector rogue-wave solutions, including the bright rogue waves, four-petaled rogue waves, and dark rogue waves. A bright rogue wave without a valley can split up, giving birth to two bright rogue waves, and an eye-shaped rogue wave can split up, giving birth to two dark rogue waves.

  13. Optical rogue waves associated with the negative coherent coupling in an isotropic medium.

    PubMed

    Sun, Wen-Rong; Tian, Bo; Jiang, Yan; Zhen, Hui-Ling

    2015-02-01

    Optical rogue waves of the coupled nonlinear Schrödinger equations with negative coherent coupling, which describe the propagation of orthogonally polarized optical waves in an isotropic medium, are reported. We construct and discuss a family of the vector rogue-wave solutions, including the bright rogue waves, four-petaled rogue waves, and dark rogue waves. A bright rogue wave without a valley can split up, giving birth to two bright rogue waves, and an eye-shaped rogue wave can split up, giving birth to two dark rogue waves.

  14. Three-dimension isotropic negative permeability material made of eight-split-ring resonator

    NASA Astrophysics Data System (ADS)

    Tian, Zijian; Wang, Xuqi; Li, Weixiang; Fan, Jing

    2017-03-01

    Based on a traditional split-ring resonator, a new type of eight-split-ring resonator structure, capable of providing negative permeability, is proposed in the paper. A three-dimension structure, consisting of three orthogonal eight-split-ring resonators, is a kind of three-dimension isotropic negative permeability structure. Simulation results show that in a three-dimensional space, the magnetic resonance behavior of three-dimensional structure is independent of electromagnetic wave direction and can give negative permeability at the frequency around 4.1GHz. Also, it is demonstrated that the orthogonal pattern in such three-dimension structure does not affect magnetic resonance behavior, facilitating structural analysis and material preparation. The paper provides a reference to the development of metamaterials towards multiple dimensions and directions.

  15. The thermalization of soft modes in non-expanding isotropic quark gluon plasmas

    NASA Astrophysics Data System (ADS)

    Blaizot, Jean-Paul; Liao, Jinfeng; Mehtar-Tani, Yacine

    2017-05-01

    We discuss the role of elastic and inelastic collisions and their interplay in the thermalization of the quark-gluon plasma. We consider a simplified situation of a static plasma, spatially uniform and isotropic in momentum space. We focus on the small momentum region, which equilibrates first, and on a short time scale. We obtain a simple kinetic equation that allows for an analytic description of the most important regimes. The present analysis suggests that the formation of a Bose condensate, expected when only elastic collisions are present, is strongly hindered by the inelastic, radiative, processes.

  16. Prediction and measurement of thermal transport across interfaces between isotropic solids and graphitic materials.

    SciTech Connect

    Norris, Pamela M.; Smoyer, Justin L.; Duda, John Charles.; Hopkins, Patrick E.

    2010-06-01

    Due to the high intrinsic thermal conductivity of carbon allotropes, there have been many attempts to incorporate such structures into existing thermal abatement technologies. In particular, carbon nanotubes (CNTs) and graphitic materials (i.e., graphite and graphene flakes or stacks) have garnered much interest due to the combination of both their thermal and mechanical properties. However, the introduction of these carbon-based nanostructures into thermal abatement technologies greatly increases the number of interfaces per unit length within the resulting composite systems. Consequently, thermal transport in these systems is governed as much by the interfaces between the constituent materials as it is by the materials themselves. This paper reports the behavior of phononic thermal transport across interfaces between isotropic thin films and graphite substrates. Elastic and inelastic diffusive transport models are formulated to aid in the prediction of conductance at a metal-graphite interface. The temperature dependence of the thermal conductance at Au-graphite interfaces is measured via transient thermoreflectance from 78 to 400 K. It is found that different substrate surface preparations prior to thin film deposition have a significant effect on the conductance of the interface between film and substrate.

  17. Prediction and measurement of thermal transport across interfaces between isotropic solids and graphitic materials.

    SciTech Connect

    Norris, Pamela M.; Smoyer, Justin L.; Duda, John Charles.; Hopkins, Patrick E.

    2010-06-01

    Due to the high intrinsic thermal conductivity of carbon allotropes, there have been many attempts to incorporate such structures into existing thermal abatement technologies. In particular, carbon nanotubes (CNTs) and graphitic materials (i.e., graphite and graphene flakes or stacks) have garnered much interest due to the combination of both their thermal and mechanical properties. However, the introduction of these carbon-based nanostructures into thermal abatement technologies greatly increases the number of interfaces per unit length within the resulting composite systems. Consequently, thermal transport in these systems is governed as much by the interfaces between the constituent materials as it is by the materials themselves. This paper reports the behavior of phononic thermal transport across interfaces between isotropic thin films and graphite substrates. Elastic and inelastic diffusive transport models are formulated to aid in the prediction of conductance at a metal-graphite interface. The temperature dependence of the thermal conductance at Au-graphite interfaces is measured via transient thermoreflectance from 78 to 400 K. It is found that different substrate surface preparations prior to thin film deposition have a significant effect on the conductance of the interface between film and substrate.

  18. Investigating the thermally induced acoustoelastic effect in isotropic media with Lamb waves

    PubMed Central

    Dodson, Jacob C.; Inman, Daniel J.

    2014-01-01

    Elastic wave velocities in metallic structures are affected by variations in environmental conditions such as changing temperature. This paper extends the theory of acoustoelasticity by allowing thermally induced strains in unconstrained isotropic media, and it experimentally examines the velocity variation of Lamb waves in aluminum plates (AL-6061) due to isothermal temperature deviations. This paper presents both thermally induced acoustoelastic constants and thermally varying effective Young's modulus and Poisson's ratio which include the third order elastic material constants. The experimental thermal sensitivity of the phase velocity (∂vP/∂θ) for both the symmetric and antisymmetric modes are bounded by two theories, the acoustoelastic Lamb wave theory with thermo-acoustoelastic tensors and the thermoelastic Lamb wave theory using an effective thermo-acoustoelastic moduli. This paper shows the theoretical thermally induced acoustoelastic Lamb wave thermal sensitivity (∂vP/∂θ) is an upper bound approximation of the experimental thermal changes, but the acoustoelastic Lamb wave theory is not valid for predicting the antisymmetric (A0) phase velocity at low frequency-thickness values, <1.55 MHz mm for various temperatures. PMID:25373955

  19. Investigating the thermally induced acoustoelastic effect in isotropic media with Lamb waves.

    PubMed

    Dodson, Jacob C; Inman, Daniel J

    2014-11-01

    Elastic wave velocities in metallic structures are affected by variations in environmental conditions such as changing temperature. This paper extends the theory of acoustoelasticity by allowing thermally induced strains in unconstrained isotropic media, and it experimentally examines the velocity variation of Lamb waves in aluminum plates (AL-6061) due to isothermal temperature deviations. This paper presents both thermally induced acoustoelastic constants and thermally varying effective Young's modulus and Poisson's ratio which include the third order elastic material constants. The experimental thermal sensitivity of the phase velocity (∂v(P)/∂θ) for both the symmetric and antisymmetric modes are bounded by two theories, the acoustoelastic Lamb wave theory with thermo-acoustoelastic tensors and the thermoelastic Lamb wave theory using an effective thermo-acoustoelastic moduli. This paper shows the theoretical thermally induced acoustoelastic Lamb wave thermal sensitivity (∂v(P)/∂θ) is an upper bound approximation of the experimental thermal changes, but the acoustoelastic Lamb wave theory is not valid for predicting the antisymmetric (A0) phase velocity at low frequency-thickness values, <1.55 MHz mm for various temperatures.

  20. Thermal stresses in a spherical pressure vessel having temperature-dependent, transversely isotropic, elastic properties

    NASA Technical Reports Server (NTRS)

    Tauchert, T. R.

    1976-01-01

    Rayleigh-Ritz and modified Rayleigh-Ritz procedures are used to construct approximate solutions for the response of a thick-walled sphere to uniform pressure loads and an arbitrary radial temperature distribution. The thermoelastic properties of the sphere are assumed to be transversely isotropic and nonhomogeneous; variations in the elastic stiffness and thermal expansion coefficients are taken to be an arbitrary function of the radial coordinate and temperature. Numerical examples are presented which illustrate the effect of the temperature-dependence upon the thermal stress field. A comparison of the approximate solutions with a finite element analysis indicates that Ritz methods offer a simple, efficient, and relatively accurate approach to the problem.

  1. Giant negative thermal expansion in magnetic nanocrystals.

    PubMed

    Zheng, X G; Kubozono, H; Yamada, H; Kato, K; Ishiwata, Y; Xu, C N

    2008-12-01

    Most solids expand when they are heated, but a property known as negative thermal expansion has been observed in a number of materials, including the oxide ZrW2O8 (ref. 1) and the framework material ZnxCd1-x(CN)2 (refs 2,3). This unusual behaviour can be understood in terms of low-energy phonons, while the colossal values of both positive and negative thermal expansion recently observed in another framework material, Ag3[Co(CN)6], have been explained in terms of the geometric flexibility of its metal-cyanide-metal linkages. Thermal expansion can also be stopped in some magnetic transition metal alloys below their magnetic ordering temperature, a phenomenon known as the Invar effect, and the possibility of exploiting materials with tuneable positive or negative thermal expansion in industrial applications has led to intense interest in both the Invar effect and negative thermal expansion. Here we report the results of thermal expansion experiments on three magnetic nanocrystals-CuO, MnF2 and NiO-and find evidence for negative thermal expansion in both CuO and MnF2 below their magnetic ordering temperatures, but not in NiO. Larger particles of CuO and MnF2 also show prominent magnetostriction (that is, they change shape in response to an applied magnetic field), which results in significantly reduced thermal expansion below their magnetic ordering temperatures; this behaviour is not observed in NiO. We propose that the negative thermal expansion effect in CuO (which is four times larger than that observed in ZrW2O8) and MnF2 is a general property of nanoparticles in which there is strong coupling between magnetism and the crystal lattice.

  2. Design of diamond-shaped transient thermal cloaks with homogeneous isotropic materials

    NASA Astrophysics Data System (ADS)

    Li, Ting-Hua; Zhu, Dong-Lai; Mao, Fu-Chun; Huang, Ming; Yang, Jing-Jing; Li, Shou-Bo

    2016-10-01

    Transformation thermodynamics as a major extension of transformation optics has recently received considerable attention. In this paper, we present two-dimensional (2D) and three-dimensional (3D) diamond-shaped transient thermal cloaks with non-singular homogeneous material parameters. The absence of singularity in the parameters results from the fact that the linear coordinate transformation is performed by expanding a line segment rather than a point into a region, while the mechanism behind the homogeneity is the homogeneous stretching and compression along orthogonal directions during the transformation. Although the derived parameters remain anisotropic, we further show that this can be circumvented by considering a layered structure composed of only four types of isotropic materials based on the effective medium theory. Numerical simulation results confirm the good performance of the proposed cloaks.

  3. Giant enhancement of the controllable in-plane anisotropy of biased isotropic noncentrosymmetric materials with epsilon-negative multilayers

    NASA Astrophysics Data System (ADS)

    Valagiannopoulos, C. A.; Tsitsas, N. L.; Lakhtakia, A.

    2017-02-01

    Giant in-plane anisotropy can be exhibited by a finitely thick periodic multilayer comprising bilayers of an isotropic noncentrosymmetric material and a non-dissipative isotropic medium of negative permittivity, when a dc electric field is applied in the thickness direction. Compared to a homogeneous layer of the noncentrosymmetric material with the same thickness as the periodic multilayer, the latter exhibits an effective in-plane anisotropy that can be three orders larger in magnitude. This enhancement gets more substantial at higher frequencies and is electrically controllable. The incorporation of dissipation reduces the enhancement of the effective in-plane anisotropy, which nevertheless remains significant. We expect the finitely thick periodic multilayer to be useful as a polarization transformer or a modulator in the terahertz regime fully controllable via external dc bias.

  4. Negative mobility induced by colored thermal fluctuations.

    PubMed

    Kostur, M; Luczka, J; Hänggi, P

    2009-11-01

    Anomalous transport of non-Markovian thermal Brownian particle dynamics in spatially periodic symmetric systems that is driven by time-periodic symmetric driving and constant bias is investigated numerically. The Brownian dynamics is modeled by a generalized Langevin equation with exponentially correlated Gaussian thermal noise, obeying the fluctuation-dissipation theorem. We study the role of nonzero correlation time of thermal fluctuations for the occurrence of absolute negative (linear) mobility (ANM) near zero bias, negative-valued, nonlinear mobility (NNM), and negative differential mobility (NDM) at finite bias away from equilibrium. We detect that a nonzero thermal correlation time can either enhance or also diminish the value of ANM. Moreover, finite thermal noise correlation can induce NDM and NNM in regions of parameter space for which such ANM and NNM behaviors are distinctly absent for limiting white thermal noise. In parts of the parameter space, we find a complex structure of regions of linear and nonlinear negative mobility: islands and tongues which emerge and vanish under parameters manipulation. While certain such anomalous transport regimes fade away with increasing temperature some specific regions interestingly remain rather robust. Outside those regimes with anomalous mobility, the ac/dc driven transport is either normal or the driven Brownian particles are not transported at all.

  5. Ultra low-loss, isotropic optical negative-index metamaterial based on hybrid metal-semiconductor nanowires

    PubMed Central

    Paniagua-Domínguez, R.; Abujetas, D. R.; Sánchez-Gil, J. A.

    2013-01-01

    Recently, many fascinating properties predicted for metamaterials (negative refraction, superlensing, electromagnetic cloaking,…) were experimentally demonstrated. Unfortunately, the best achievements have no direct translation to the optical domain, without being burdened by technological and conceptual difficulties. Of particular importance within the realm of optical negative-index metamaterials (NIM), is the issue of simultaneously achieving strong electric and magnetic responses and low associated losses. Here, hybrid metal-semiconductor nanowires are proposed as building blocks of optical NIMs. The metamaterial thus obtained, highly isotropic in the plane normal to the nanowires, presents a negative index of refraction in the near-infrared, with values of the real part well below −1, and extremely low losses (an order of magnitude better than present optical NIMs). Tunability of the system allows to select the operating range in the whole telecom spectrum. The design is proven in configurations such as prisms and slabs, directly observing negative refraction. PMID:23514968

  6. Unimode metamaterials exhibiting negative linear compressibility and negative thermal expansion

    NASA Astrophysics Data System (ADS)

    Dudek, Krzysztof K.; Attard, Daphne; Caruana-Gauci, Roberto; Wojciechowski, Krzysztof W.; Grima, Joseph N.

    2016-02-01

    Unimode metamaterials made from rotating rigid triangles are analysed mathematically for their mechanical and thermal expansion properties. It is shown that these unimode systems exhibit positive Poisson’s ratios irrespective of size, shape and angle of aperture, with the Poisson’s ratio exhibiting giant values for certain conformations. When the Poisson’s ratio in one loading direction is larger than +1, the systems were found to exhibit the anomalous property of negative linear compressibility along this direction, that is, the systems expand in this direction when hydrostatically compressed. Also discussed are the thermal expansion properties of these systems under the assumption that the units exhibit increased rotational agitation once subjected to an increase in temperature. The effect of the geometric parameters on the aforementioned thermo-mechanical properties of the system, are discussed, with the aim of identifying negative behaviour.

  7. Negative obstacle detection by thermal signature

    NASA Technical Reports Server (NTRS)

    Matthies, Larry; Rankin, A.

    2003-01-01

    Detecting negative obstacles (ditches, potholes, and other depressions) is one of the most difficult problems in perception for autonomous, off-road navigation. Past work has largely relied on range imagery, because that is based on the geometry of the obstacle, is largely insensitive to illumination variables, and because there have not been other reliable alternatives. However, the visible aspect of negative obstacles shrinks rapidly with range, making them impossible to detect in time to avoid them at high speed. To relive this problem, we show that the interiors of negative obstacles generally remain warmer than the surrounding terrain throughout the night, making thermal signature a stable property for night-time negative obstacle detection. Experimental results to date have achieved detection distances 45% greater by using thermal signature than by using range data alone. Thermal signature is the first known observable with potential to reveal a deep negative obstacle without actually seeing far into it. Modeling solar illumination has potential to extend the usefulness of thermal signature through daylight hours.

  8. Negative obstacle detection by thermal signature

    NASA Technical Reports Server (NTRS)

    Matthies, Larry; Rankin, A.

    2003-01-01

    Detecting negative obstacles (ditches, potholes, and other depressions) is one of the most difficult problems in perception for autonomous, off-road navigation. Past work has largely relied on range imagery, because that is based on the geometry of the obstacle, is largely insensitive to illumination variables, and because there have not been other reliable alternatives. However, the visible aspect of negative obstacles shrinks rapidly with range, making them impossible to detect in time to avoid them at high speed. To relive this problem, we show that the interiors of negative obstacles generally remain warmer than the surrounding terrain throughout the night, making thermal signature a stable property for night-time negative obstacle detection. Experimental results to date have achieved detection distances 45% greater by using thermal signature than by using range data alone. Thermal signature is the first known observable with potential to reveal a deep negative obstacle without actually seeing far into it. Modeling solar illumination has potential to extend the usefulness of thermal signature through daylight hours.

  9. Isotropic Negative Area Compressibility over Large Pressure Range in Potassium Beryllium Fluoroborate and its Potential Applications in Deep Ultraviolet Region.

    PubMed

    Jiang, Xingxing; Luo, Siyang; Kang, Lei; Gong, Pifu; Yao, Wenjiao; Huang, Hongwei; Li, Wei; Huang, Rongjin; Wang, Wei; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang; Li, Laifeng; Chen, Chuangtian; Lin, Zheshuai

    2015-09-02

    Isotropic negative area compressibility, which is very rare, is observed in KBBF and the related mechanism is investigated by combined high-pressure X-ray diffraction (XRD) experiments and first-principles calculations. The strong mechanical anisotropy leads to a large Poisson's ratio and high figure of merit for the acoustic-optics effect, giving KBBF potential applications as smart strain converters and deep-ultraviolet (DUV) acoustic-optic devices. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Instrumented thick-walled tube method for measuring thermal pressure in fluids and isotropic stresses in thermosetting resins

    NASA Astrophysics Data System (ADS)

    Merzlyakov, Mikhail; Simon, Sindee L.; McKenna, Gregory B.

    2005-06-01

    We have developed a method for measuring the thermal pressure coefficient and cure-induced and thermally induced stresses based on an instrumented thick-walled tube vessel. The device has been demonstrated at pressures up to 330 MPa and temperatures to 300 °C. The method uses a sealed stainless steel thick-walled tube to impose three-dimensional isotropic constraints. The tube is instrumented with strain gauges in hoop and in axial directions and can be used in open or closed configurations. By making measurements of the isotropic stresses as a function of temperature, the method allows determination of the thermal pressure coefficient in both the glassy and rubbery (or liquid) states. The method also can be used to measure isotropic stress development in thermosetting resins during cure and subsequent thermal cycling. Experimental results are presented for sucrose benzoate, di-2-ethylhexylsebacate, and an epoxy resin. The current report shows that the method provides reliable estimates for the thermal pressure coefficient. The thermal pressure coefficient is determined with resolution on the order of 10kPa/K. Among advantages of the method is that the tubes are reusable, even when measurements are made for cure response of thermosetting resins.

  11. First principles thermal elasticity of crystals: quasiharmonic theory in the limit of isotropic thermal pressure

    NASA Astrophysics Data System (ADS)

    Wu, Z.; Wentzcovitch, R. M.

    2010-12-01

    First-principles quasi-harmonic calculations play a fundamental role in mineral physics because they can predict the structure and thermodynamic properties of materials at pressure and temperature conditions that are still challenging for experiments. They also enable calculations of thermal elastic properties by providing the second derivatives of the free energies with respect to strains. However, these are demanding computations requiring hundreds of medium size jobs running on ~10^2 cores each. Here we introduce an approach that requires only calculations of static elastic constants and phonon density of states for strain-free configurations. This approach decreases the number of calculations by more than one order of magnitude. We show results for several minerals that are in very good agreement with some previous first-principles results and experimental data. Research supported by NSF under ATM-0428774 (VLab) and EAR-1019853. The computations were performed at the Minnesota Supercomputing Institute (MSI).

  12. Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal-organic framework.

    PubMed

    Cliffe, Matthew J; Hill, Joshua A; Murray, Claire A; Coudert, François-Xavier; Goodwin, Andrew L

    2015-05-07

    Thermally-densified hafnium terephthalate UiO-66(Hf) is shown to exhibit the strongest isotropic negative thermal expansion (NTE) effect yet reported for a metal-organic framework (MOF). Incorporation of correlated vacancy defects within the framework affects both the extent of thermal densification and the magnitude of NTE observed in the densified product. We thus demonstrate that defect inclusion can be used to tune systematically the physical behaviour of a MOF.

  13. Negative thermal expansion in CuCl: An extended x-ray absorption fine structure study

    SciTech Connect

    Vaccari, M.; Grisenti, R.; Fornasini, P.; Rocca, F.; Sanson, A.

    2007-05-01

    Extended x-ray absorption fine structure (EXAFS) has been measured from liquid helium to ambient temperature at the Cu K edge of copper chloride (CuCl) to investigate the local origin of negative thermal expansion. A quantitative analysis of the first coordination shell, performed by the cumulant method, reveals that the nearest-neighbor Cu-Cl interatomic distance undergoes a strong positive expansion, contrasting with the much weaker negative expansion of the crystallographic distance between average atomic positions below 100 K. The anisotropy of relative thermal vibrations, monitored by the ratio {gamma} between perpendicular and parallel mean square relative displacements, is considerably high, while the diffraction thermal factors are isotropic. The relative perpendicular vibrations measured by EXAFS are related to the tension mechanism and to the transverse acoustic modes, which are considered responsible for negative thermal expansion in zinc-blende structures.

  14. Photonic band structure and effective medium properties of doubly-resonant core-shell metallo-dielectric nanowire arrays: low-loss, isotropic optical negative-index behavior

    NASA Astrophysics Data System (ADS)

    Abujetas, D. R.; Paniagua-Domínguez, R.; Nieto-Vesperinas, M.; Sánchez-Gil, J. A.

    2015-12-01

    We investigate theoretically and numerically the photonic band structure in the optical domain of an array of core-shell metal-semiconductor nanowires. Corresponding negative-index photonic bands are calculated, showing isotropic equifrequency surfaces. The effective (negative) electric permittivity and magnetic permeability, retrieved from S-parameters, are used to compare the performance of such nanowire arrays with homogeneous media in canonical examples, such as refraction through a prism and flat-lens focusing. Very good agreement is found, confirming the effective medium behavior of the nanowire array as a low-loss, isotropic (2D) and bulk, optical negative index metamaterial. Indeed, disorder is introduced to further stress its robustness.

  15. Elucidating Negative Thermal Expansion in MOF-5

    SciTech Connect

    Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.

    2010-12-07

    Multi-temperature X-ray diffraction studies show that twisting, rotation, and libration cause negative thermal expansion (NTE) of the nanoporous metal-organic framework MOF-5, Zn{sub 4}O(1,4-benzenedicarboxylate){sub 3}. The near-linear lattice contraction is quantified in the temperature range 80-500 K using synchrotron powder X-ray diffraction. Vibrational motions causing the abnormal expansion behavior are evidenced by shortening of certain interatomic distances with increasing temperature according to single-crystal X-ray diffraction on a guest-free crystal over a broad temperature range. Detailed analysis of the atomic positional and displacement parameters suggests two contributions to cause the effect: (1) local twisting and vibrational motion of the carboxylate groups and (2) concerted transverse vibration of the linear linkers. The vibrational mechanism is confirmed by calculations of the dynamics in a molecular fragment of the framework.

  16. The Evaporation and Survival of Cluster Galaxy Coronae. I. The Effectiveness of Isotropic Thermal Conduction Including Saturation

    NASA Astrophysics Data System (ADS)

    Vijayaraghavan, Rukmani; Sarazin, Craig

    2017-05-01

    We simulate the evolution of cluster galaxy hot interstellar medium (ISM) gas that is a result of the effects of ram pressure and thermal conduction in the intracluster medium (ICM). At the density and temperature of the ICM, the mean free paths of ICM electrons are comparable to the sizes of galaxies, therefore electrons can efficiently transport heat that is due to thermal conduction from the hot ICM to the cooler ISM. Galaxies consisting of dark matter halos and hot gas coronae are embedded in an ICM-like “wind tunnel” in our simulations. In this paper, we assume that thermal conduction is isotropic and include the effects of saturation. We find that as heat is transferred from the ICM to the ISM, the cooler denser ISM expands and evaporates. This process is significantly faster than gas loss due to ram pressure stripping; for our standard model galaxy, the evaporation time is 160 Myr, while the ram pressure stripping timescale is 2.5 Gyr. Thermal conduction also suppresses the formation of shear instabilities, and there are no stripped ISM tails since the ISM evaporates before tails can form. Observations of long-lived X-ray emitting coronae and ram pressure stripped X-ray tails in galaxies in group and cluster environments therefore require that thermal conduction is suppressed or offset by some additional physical process. The most likely process is anisotropic thermal conduction that is due to magnetic fields in the ISM and ICM, which we simulate and study in the next paper in this series.

  17. Micro-architected Composite Lattices with Tunable Negative Thermal Expansions

    NASA Astrophysics Data System (ADS)

    Wang, Qiming

    Solid materials with minimum or negative thermal expansion (NTE) have broad applications, from dental fillings to thermal-sensitive precision instruments. Previous studies on NTE structures were mostly focused on theoretically design and 2D experimental demonstrations. Here, aided with multimaterial projection micro-stereolithography, we experimentally fabricate multi-material composite lattices that exhibit significant negative thermal expansion in three directions and over a large range of temperature variations. The negative thermal expansion is induced by the structural interaction of material components with distinct thermal expansion coefficients. The NTE performance can be tuned over a large range by varying the thermal expansion coefficient difference between constituent beams and geometrical arrangement. Our experimental results match qualitatively with a simple scaling law and quantitatively consistently with computational models.

  18. Quantum Phase Transition and Thermal Entanglement in the Isotropic XXX Model

    NASA Astrophysics Data System (ADS)

    Ma, Fu-Wu; Kong, Xiang-Mu

    2012-06-01

    We investigate the quantum phase transition (QPT) and the pairwise thermal entanglement in the three-qubit Heisenberg XXX chain with Dzyaloshinskii—Moriya (DM) interaction under a magnetic field. The ground states of the system exist crossing points, which shows that the system exhibits a QPT. At a given temperature, the entanglement undergoes two sudden changes (platform-like behavior) as the DM interaction or external magnetic field increases. This special property can be used as the entanglement switch, which is also influenced by the temperature. We can modulate the DM interaction or external magnetic field to control the entanglement switch.

  19. Multidimensional Hall magnetohydrodynamics with isotropic or anisotropic thermal pressure: Numerical scheme and its validation using solitary waves

    NASA Astrophysics Data System (ADS)

    Strumik, Marek; Stasiewicz, Krzysztof

    2017-02-01

    We present a numerical solver for plasma dynamics simulations in Hall magnetohydrodynamic (HMHD) approximation in one, two and three dimensions. We consider both isotropic and anisotropic thermal pressure cases, where a general gyrotropic approximation is used. Both explicit energy conservation equation and general polytropic state equations are considered. The numerical scheme incorporates second-order Runge-Kutta advancing in time and Kurganov-Tadmor scheme with van Leer flux limiter for the approximation of fluxes. A flux-interpolated constrained-transport approach is used to preserve solenoidal magnetic field in the simulations. The implemented code is validated using several test problems previously described in the literature. Additionally, we propose a new validation method for HMHD codes based on solitary waves that provides a possibility of quantitative rigorous testing in nonlinear (large amplitude) regime as an extension to standard tests using small-amplitude whistler waves. Quantitative tests of accuracy and performance of the implemented code show the fidelity of the proposed approach.

  20. Lightweight Mechanical Metamaterials with Tunable Negative Thermal Expansion.

    PubMed

    Wang, Qiming; Jackson, Julie A; Ge, Qi; Hopkins, Jonathan B; Spadaccini, Christopher M; Fang, Nicholas X

    2016-10-21

    Ice floating on water is a great manifestation of negative thermal expansion (NTE) in nature. The limited examples of natural materials possessing NTE have stimulated research on engineered structures. Previous studies on NTE structures were mostly focused on theoretical design with limited experimental demonstration in two-dimensional planar geometries. In this work, aided with multimaterial projection microstereolithography, we experimentally fabricate lightweight multimaterial lattices that exhibit significant negative thermal expansion in three directions and over a temperature range of 170 degrees. Such NTE is induced by the structural interaction of material components with distinct thermal expansion coefficients. The NTE can be tuned over a large range by varying the thermal expansion coefficient difference between constituent beams and geometrical arrangements. Our experimental results match qualitatively with a simple scaling law and quantitatively with computational models.

  1. Colossal negative thermal expansion in reduced layered ruthenate

    PubMed Central

    Takenaka, Koshi; Okamoto, Yoshihiko; Shinoda, Tsubasa; Katayama, Naoyuki; Sakai, Yuki

    2017-01-01

    Large negative thermal expansion (NTE) has been discovered during the last decade in materials of various kinds, particularly materials associated with a magnetic, ferroelectric or charge-transfer phase transition. Such NTE materials have attracted considerable attention for use as thermal-expansion compensators. Here, we report the discovery of giant NTE for reduced layered ruthenate. The total volume change related to NTE reaches 6.7% in dilatometry, a value twice as large as the largest volume change reported to date. We observed a giant negative coefficient of linear thermal expansion α=−115 × 10−6 K−1 over 200 K interval below 345 K. This dilatometric NTE is too large to be attributable to the crystallographic unit-cell volume variation with temperature. The highly anisotropic thermal expansion of the crystal grains might underlie giant bulk NTE via microstructural effects consuming open spaces in the sintered body on heating. PMID:28071647

  2. Lightweight Mechanical Metamaterials with Tunable Negative Thermal Expansion

    NASA Astrophysics Data System (ADS)

    Wang, Qiming; Jackson, Julie A.; Ge, Qi; Hopkins, Jonathan B.; Spadaccini, Christopher M.; Fang, Nicholas X.

    2016-10-01

    Ice floating on water is a great manifestation of negative thermal expansion (NTE) in nature. The limited examples of natural materials possessing NTE have stimulated research on engineered structures. Previous studies on NTE structures were mostly focused on theoretical design with limited experimental demonstration in two-dimensional planar geometries. In this work, aided with multimaterial projection microstereolithography, we experimentally fabricate lightweight multimaterial lattices that exhibit significant negative thermal expansion in three directions and over a temperature range of 170 degrees. Such NTE is induced by the structural interaction of material components with distinct thermal expansion coefficients. The NTE can be tuned over a large range by varying the thermal expansion coefficient difference between constituent beams and geometrical arrangements. Our experimental results match qualitatively with a simple scaling law and quantitatively with computational models.

  3. Colossal negative thermal expansion in reduced layered ruthenate.

    PubMed

    Takenaka, Koshi; Okamoto, Yoshihiko; Shinoda, Tsubasa; Katayama, Naoyuki; Sakai, Yuki

    2017-01-10

    Large negative thermal expansion (NTE) has been discovered during the last decade in materials of various kinds, particularly materials associated with a magnetic, ferroelectric or charge-transfer phase transition. Such NTE materials have attracted considerable attention for use as thermal-expansion compensators. Here, we report the discovery of giant NTE for reduced layered ruthenate. The total volume change related to NTE reaches 6.7% in dilatometry, a value twice as large as the largest volume change reported to date. We observed a giant negative coefficient of linear thermal expansion α=-115 × 10(-6) K(-1) over 200 K interval below 345 K. This dilatometric NTE is too large to be attributable to the crystallographic unit-cell volume variation with temperature. The highly anisotropic thermal expansion of the crystal grains might underlie giant bulk NTE via microstructural effects consuming open spaces in the sintered body on heating.

  4. Colossal negative thermal expansion in reduced layered ruthenate

    NASA Astrophysics Data System (ADS)

    Takenaka, Koshi; Okamoto, Yoshihiko; Shinoda, Tsubasa; Katayama, Naoyuki; Sakai, Yuki

    2017-01-01

    Large negative thermal expansion (NTE) has been discovered during the last decade in materials of various kinds, particularly materials associated with a magnetic, ferroelectric or charge-transfer phase transition. Such NTE materials have attracted considerable attention for use as thermal-expansion compensators. Here, we report the discovery of giant NTE for reduced layered ruthenate. The total volume change related to NTE reaches 6.7% in dilatometry, a value twice as large as the largest volume change reported to date. We observed a giant negative coefficient of linear thermal expansion α=-115 × 10-6 K-1 over 200 K interval below 345 K. This dilatometric NTE is too large to be attributable to the crystallographic unit-cell volume variation with temperature. The highly anisotropic thermal expansion of the crystal grains might underlie giant bulk NTE via microstructural effects consuming open spaces in the sintered body on heating.

  5. Symmetry Switching of Negative Thermal Expansion by Chemical Control.

    PubMed

    Senn, Mark S; Murray, Claire A; Luo, Xuan; Wang, Lihai; Huang, Fei-Ting; Cheong, Sang-Wook; Bombardi, Alessandro; Ablitt, Chris; Mostofi, Arash A; Bristowe, Nicholas C

    2016-05-04

    The layered perovskite Ca3-xSrxMn2O7 is shown to exhibit a switching from a material exhibiting uniaxial negative to positive thermal expansion as a function of x. The switching is shown to be related to two closely competing phases with different symmetries. The negative thermal expansion (NTE) effect is maximized when the solid solution is tuned closest to this region of phase space but is switched off suddenly on passing though the transition. Our results show for the first time that, by understanding the symmetry of the competing phases alone, one may achieve unprecedented chemical control of this unusual property.

  6. Negative thermal expansion induced by intermetallic charge transfer.

    PubMed

    Azuma, Masaki; Oka, Kengo; Nabetani, Koichiro

    2015-06-01

    Suppression of thermal expansion is of great importance for industry. Negative thermal expansion (NTE) materials which shrink on heating and expand on cooling are therefore attracting keen attention. Here we provide a brief overview of NTE induced by intermetallic charge transfer in A-site ordered double perovskites SaCu3Fe4O12 and LaCu3Fe4-x Mn x O12, as well as in Bi or Ni substituted BiNiO3. The last compound shows a colossal dilatometric linear thermal expansion coefficient exceeding -70 × 10(-6) K(-1) near room temperature, in the temperature range which can be controlled by substitution.

  7. Negative thermal expansion materials: technological key for control of thermal expansion.

    PubMed

    Takenaka, Koshi

    2012-02-01

    Most materials expand upon heating. However, although rare, some materials contract upon heating. Such negative thermal expansion (NTE) materials have enormous industrial merit because they can control the thermal expansion of materials. Recent progress in materials research enables us to obtain materials exhibiting negative coefficients of linear thermal expansion over -30 ppm K(-1). Such giant NTE is opening a new phase of control of thermal expansion in composites. Specifically examining practical aspects, this review briefly summarizes materials and mechanisms of NTE as well as composites containing NTE materials, based mainly on activities of the last decade.

  8. Negative thermal expansion materials: technological key for control of thermal expansion

    PubMed Central

    Takenaka, Koshi

    2012-01-01

    Most materials expand upon heating. However, although rare, some materials contract upon heating. Such negative thermal expansion (NTE) materials have enormous industrial merit because they can control the thermal expansion of materials. Recent progress in materials research enables us to obtain materials exhibiting negative coefficients of linear thermal expansion over −30 ppm K−1. Such giant NTE is opening a new phase of control of thermal expansion in composites. Specifically examining practical aspects, this review briefly summarizes materials and mechanisms of NTE as well as composites containing NTE materials, based mainly on activities of the last decade. PMID:27877465

  9. High-order rogue waves of the coupled nonlinear Schrödinger equations with negative coherent coupling in an isotropic medium

    NASA Astrophysics Data System (ADS)

    Sun, Wen-Rong; Tian, Bo; Xie, Xi-Yang; Chai, Jun; Jiang, Yan

    2016-10-01

    High-order rogue waves of the coupled nonlinear Schrödinger equations with negative coherent coupling, which describe the propagation of orthogonally polarized optical waves in an isotropic medium, are reported in this paper. Key point lies in the introduction of a limit process in the Darboux transformation, with which we obtain a family of the first- and second-order rational solutions for the purpose of modelling the rogue waves. We observe that the double-hump rogue wave in the course of evolution turns into the one-hump rogue wave, and that the dark rogue wave with four valleys in the course of evolution turns into the bright rogue wave. It is found that the second-order rogue wave can split up, giving birth to the multiple rogue waves.

  10. Using Thermal Radiation in Detection of Negative Obstacles

    NASA Technical Reports Server (NTRS)

    Rankin, Arturo L.; Matthies, Larry H.

    2009-01-01

    A method of automated detection of negative obstacles (potholes, ditches, and the like) ahead of ground vehicles at night involves processing of imagery from thermal-infrared cameras aimed at the terrain ahead of the vehicles. The method is being developed as part of an overall obstacle-avoidance scheme for autonomous and semi-autonomous offroad robotic vehicles. The method could also be applied to help human drivers of cars and trucks avoid negative obstacles -- a development that may entail only modest additional cost inasmuch as some commercially available passenger cars are already equipped with infrared cameras as aids for nighttime operation.

  11. Reprobing the mechanism of negative thermal expansion in siliceous faujasite

    SciTech Connect

    Attfield, Martin P.; Feygenson, Mikhail; Neuefeind, Joerg C.; Proffen, Thomas E.; Lucas, T. C. A.; Hriljac, Joseph Anthony

    2016-02-11

    A combination of Rietveld refinement and PDF analysis of total neutron scattering data are used to provide further insight into the negative thermal expansion mechanism of siliceous faujasite. The negative thermal expansion mechanism of siliceous faujasite is attributed to the transverse vibrations of bridging oxygen atoms resulting in the coupled librations of the SiO4 tetrahedra. The constituent SiO4 tetrahedra are revealed to expand in size with temperature which is a behaviour that has not been determined directly previously and they are also shown to undergo some distortion as temperature is increased. However, these distortions are not distinct enough in any geometric manner for the average behaviour of the SiO4 tetrahedra not to be considered as that of a rigid units. The work further displays the benefits of using total scattering experiments to unveil the finer details of dynamic thermomechanical processes within crystalline materials.

  12. Reprobing the mechanism of negative thermal expansion in siliceous faujasite

    DOE PAGES

    Attfield, Martin P.; Feygenson, Mikhail; Neuefeind, Joerg C.; ...

    2016-02-11

    A combination of Rietveld refinement and PDF analysis of total neutron scattering data are used to provide further insight into the negative thermal expansion mechanism of siliceous faujasite. The negative thermal expansion mechanism of siliceous faujasite is attributed to the transverse vibrations of bridging oxygen atoms resulting in the coupled librations of the SiO4 tetrahedra. The constituent SiO4 tetrahedra are revealed to expand in size with temperature which is a behaviour that has not been determined directly previously and they are also shown to undergo some distortion as temperature is increased. However, these distortions are not distinct enough in anymore » geometric manner for the average behaviour of the SiO4 tetrahedra not to be considered as that of a rigid units. The work further displays the benefits of using total scattering experiments to unveil the finer details of dynamic thermomechanical processes within crystalline materials.« less

  13. Acoustic phonons and negative thermal expansion in MOF-5.

    PubMed

    Rimmer, Leila H N; Dove, Martin T; Goodwin, Andrew L; Palmer, David C

    2014-10-21

    The mechanism of negative thermal expansion (NTE) in MOF-5 has been studied using a rigid unit mode analysis of the phonons responsible for NTE. In addition to confirming the role of the previously proposed optic 'trampoline mode' mechanism [Lock et al., Dalton Trans., 2013, 42, 1933-2320], we have identified a new acoustic mode mechanism that makes a major contribution to the macroscopic NTE of this framework.

  14. Negative thermal ion mass spectrometry of osmium, rhenium, and iridium

    NASA Technical Reports Server (NTRS)

    Creaser, R. A.; Papanastassiou, D. A.; Wasserburg, G. J.

    1991-01-01

    This paper describes a technique for obtaining, in a conventional surface ionization mass spectrometer, intense ion beams of negatively charged oxides of Os, Re, and Ir by thermal ionization. It is shown that the principal ion species of these ions are OsO3(-), ReO4(-), and IrO2(-), respectively. For Re-187/Os-187 studies, this technique offers the advantage of isotopic analyses without prior chemical separation of Re from Os.

  15. Negative thermal ion mass spectrometry of osmium, rhenium, and iridium

    NASA Technical Reports Server (NTRS)

    Creaser, R. A.; Papanastassiou, D. A.; Wasserburg, G. J.

    1991-01-01

    This paper describes a technique for obtaining, in a conventional surface ionization mass spectrometer, intense ion beams of negatively charged oxides of Os, Re, and Ir by thermal ionization. It is shown that the principal ion species of these ions are OsO3(-), ReO4(-), and IrO2(-), respectively. For Re-187/Os-187 studies, this technique offers the advantage of isotopic analyses without prior chemical separation of Re from Os.

  16. Negative thermal expansion induced by intermetallic charge transfer

    PubMed Central

    Azuma, Masaki; Oka, Kengo; Nabetani, Koichiro

    2015-01-01

    Suppression of thermal expansion is of great importance for industry. Negative thermal expansion (NTE) materials which shrink on heating and expand on cooling are therefore attracting keen attention. Here we provide a brief overview of NTE induced by intermetallic charge transfer in A-site ordered double perovskites SaCu3Fe4O12 and LaCu3Fe4−xMnxO12, as well as in Bi or Ni substituted BiNiO3. The last compound shows a colossal dilatometric linear thermal expansion coefficient exceeding −70 × 10−6 K−1 near room temperature, in the temperature range which can be controlled by substitution. PMID:27877801

  17. Thermal rectification and negative differential thermal conductance in harmonic chains with nonlinear system-bath coupling

    NASA Astrophysics Data System (ADS)

    Ming, Yi; Li, Hui-Min; Ding, Ze-Jun

    2016-03-01

    Thermal rectification and negative differential thermal conductance were realized in harmonic chains in this work. We used the generalized Caldeira-Leggett model to study the heat flow. In contrast to most previous studies considering only the linear system-bath coupling, we considered the nonlinear system-bath coupling based on recent experiment [Eichler et al., Nat. Nanotech. 6, 339 (2011), 10.1038/nnano.2011.71]. When the linear coupling constant is weak, the multiphonon processes induced by the nonlinear coupling allow more phonons transport across the system-bath interface and hence the heat current is enhanced. Consequently, thermal rectification and negative differential thermal conductance are achieved when the nonlinear couplings are asymmetric. However, when the linear coupling constant is strong, the umklapp processes dominate the multiphonon processes. Nonlinear coupling suppresses the heat current. Thermal rectification is also achieved. But the direction of rectification is reversed compared to the results of weak linear coupling constant.

  18. Phonon anharmonicity and negative thermal expansion in SnSe

    DOE PAGES

    Bansal, Dipanshu; Hong, Jiawang; Li, Chen W.; ...

    2016-08-09

    In this paper, the anharmonic phonon properties of SnSe in the Pnma phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering (NRIXS), we have measured the phonon dispersions and density of states (DOS) and their temperature dependence, which revealed a strong, inhomogeneous shift and broadening of the spectrum on warming. First-principles simulations were performed to rationalize these measurements, and to explain the previously reported anisotropic thermal expansion, in particular the negative thermal expansion within the Sn-Se bilayers. Including the anisotropic strain dependence of the phonon free energy,more » in addition to the electronic ground state energy, is essential to reproduce the negative thermal expansion. From the phonon DOS obtained with INS and additional calorimetry measurements, we quantify the harmonic, dilational, and anharmonic components of the phonon entropy, heat capacity, and free energy. Finally, the origin of the anharmonic phonon thermodynamics is linked to the electronic structure.« less

  19. Phonon anharmonicity and negative thermal expansion in SnSe

    SciTech Connect

    Bansal, Dipanshu; Hong, Jiawang; Li, Chen W.; May, Andrew F.; Porter, Wallace; Hu, Michael Y.; Abernathy, Douglas L.; Delaire, Olivier

    2016-08-09

    In this paper, the anharmonic phonon properties of SnSe in the Pnma phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering (NRIXS), we have measured the phonon dispersions and density of states (DOS) and their temperature dependence, which revealed a strong, inhomogeneous shift and broadening of the spectrum on warming. First-principles simulations were performed to rationalize these measurements, and to explain the previously reported anisotropic thermal expansion, in particular the negative thermal expansion within the Sn-Se bilayers. Including the anisotropic strain dependence of the phonon free energy, in addition to the electronic ground state energy, is essential to reproduce the negative thermal expansion. From the phonon DOS obtained with INS and additional calorimetry measurements, we quantify the harmonic, dilational, and anharmonic components of the phonon entropy, heat capacity, and free energy. Finally, the origin of the anharmonic phonon thermodynamics is linked to the electronic structure.

  20. Phonon anharmonicity and negative thermal expansion in SnSe

    NASA Astrophysics Data System (ADS)

    Bansal, Dipanshu; Hong, Jiawang; Li, Chen W.; May, Andrew F.; Porter, Wallace; Hu, Michael Y.; Abernathy, Douglas L.; Delaire, Olivier

    2016-08-01

    The anharmonic phonon properties of SnSe in the P n m a phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering (NRIXS), we have measured the phonon dispersions and density of states (DOS) and their temperature dependence, which revealed a strong, inhomogeneous shift and broadening of the spectrum on warming. First-principles simulations were performed to rationalize these measurements, and to explain the previously reported anisotropic thermal expansion, in particular the negative thermal expansion within the Sn-Se bilayers. Including the anisotropic strain dependence of the phonon free energy, in addition to the electronic ground state energy, is essential to reproduce the negative thermal expansion. From the phonon DOS obtained with INS and additional calorimetry measurements, we quantify the harmonic, dilational, and anharmonic components of the phonon entropy, heat capacity, and free energy. The origin of the anharmonic phonon thermodynamics is linked to the electronic structure.

  1. Phonon anharmonicity and negative thermal expansion in SnSe

    SciTech Connect

    Bansal, Dipanshu; Hong, Jiawang; Li, Chen W.; May, Andrew F.; Porter, Wallace; Hu, Michael Y.; Abernathy, Douglas L.; Delaire, Olivier

    2016-08-09

    In this paper, the anharmonic phonon properties of SnSe in the Pnma phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering (NRIXS), we have measured the phonon dispersions and density of states (DOS) and their temperature dependence, which revealed a strong, inhomogeneous shift and broadening of the spectrum on warming. First-principles simulations were performed to rationalize these measurements, and to explain the previously reported anisotropic thermal expansion, in particular the negative thermal expansion within the Sn-Se bilayers. Including the anisotropic strain dependence of the phonon free energy, in addition to the electronic ground state energy, is essential to reproduce the negative thermal expansion. From the phonon DOS obtained with INS and additional calorimetry measurements, we quantify the harmonic, dilational, and anharmonic components of the phonon entropy, heat capacity, and free energy. Finally, the origin of the anharmonic phonon thermodynamics is linked to the electronic structure.

  2. Numerical solutions of sheath structures around a moderate negative biased electron-emitting cylindrical probe in low-density isotropic plasma

    NASA Astrophysics Data System (ADS)

    Din, Alif

    2017-09-01

    The potential structures around a moderate negative biased electron-emitting cylindrical probe in low-density isotropic plasma are calculated in the collisionless sheath region. The formalisms, equations, and solutions for the entire electron emitting range (i.e., subcritical, critical, and supercritical) from the cylindrical emitter and collector surface are discussed. The plasma-electron and emitted-electron are assumed to have half Maxwellian velocity distributions at their respective sheath entering boundaries with cold plasma ions. Poisson's equation is solved numerically in the sheath region for the subcritical, critical, and supercritical emissions. The I-V characteristics for these three cases are presented in tabular form. The results show that we need very high emitted-electron current to solve Poisson's equation for the critical and spercritical emissions. Thus, the floating potential is far away in these scenarios. Also, the number density of emitted-and plasma-electron are comparable at the sheath edge so we cannot neglect the density of former in comparison with latter at the sheath edge.

  3. Proposal for a material with negative thermal expansion

    NASA Astrophysics Data System (ADS)

    Abdullah, Mikrajuddin

    2016-09-01

    I propose a model of a material that exhibits negative thermal expansion (NTE) properties and criteria for the occurrence of linear and volumetric NTE. I derived the criteria for an arbitrary force between rigid units in the material. These criteria are also discussed specifically for the Lennard-Jones (6-12) potential and in more detail for metal-organic framework (MOF) materials comprising rigid units connected by organic linkers. Qualitatively, the model predictions can explain some observed results. Surprisingly, the model can produce equations for the transition temperature from NTE to positive thermal expansion (PTE), Tc ≈ T0 - 50 K, which is exactly the same as the temperature at which the glass transition begins to occur in most polymers, i.e., Tc ≈ Tg - 50 K.

  4. Thermally driven classical Heisenberg chain with a spatially varying magnetic field: thermal rectification and negative differential thermal resistance

    NASA Astrophysics Data System (ADS)

    Bagchi, Debarshee

    2015-02-01

    Thermal rectification and negative differential thermal resistance are two important features that have direct technological relevance. Here, we study the classical one-dimensional Heisenberg model, driven thermally by heat baths attached at the two ends of the system and in the presence of an external magnetic field that varies monotonically in space. Heat conduction in this system is studied using a local energy conserving dynamics. It is found that by suitably tuning the spatially varying magnetic field, the structurally homogeneous symmetric system exhibits both thermal rectification and negative differential thermal resistance. Thermal rectification, in some parameter ranges, shows interesting dependencies on the average temperature T and the system size N—rectification improves as T and N are increased. Using the microscopic dynamics of the spins we present a physical picture to understand thermal rectification as exhibited by this system and provide supporting numerical evidence. Emergence of the negative response in this system can be controlled by tuning the external magnetic field alone, which can have possible applications in the fabrication of novel thermal devices.

  5. Thermal rectification and negative differential thermal resistance in a driven two segment classical Heisenberg chain

    NASA Astrophysics Data System (ADS)

    Bagchi, Debarshee

    2013-12-01

    Using computer simulation we investigate thermal transport in a two segment classical Heisenberg spin chain with nearest neighbor interaction and in the presence of an external magnetic field. The system is thermally driven by heat baths attached at the two ends and transport properties are studied using energy conserving dynamics. We demonstrate that by properly tuning the parameters thermal rectification can be achieved—the system behaves as a good conductor of heat along one direction but becomes a bad conductor when the thermal gradient is reversed, and crucially depends on nonlinearity and spatial asymmetry. Moreover, suitable tuning of the system parameters gives rise to the counterintuitive and technologically important feature known as negative differential thermal resistance (NDTR). We find that the crucial factor responsible for the emergence of NDTR is a suitable mechanism for impeding the current in the bulk of the system.

  6. Negative differential thermal conductance and thermal rectification effects across a graphene-based superconducting junction

    NASA Astrophysics Data System (ADS)

    Zhou, Xingfei; Zhang, Zhi

    2016-05-01

    We study the heat transport in a graphene-based normal-superconducting junction by solving the Bogoliubov-de Gennes (BdG) equation. There are two effects, the competitive and cooperative effects, which come from the interaction between the temperature-dependent energy-gap function in the superconducting region and the occupation difference of quasiparticles. It is found that the competitive effect can not only bring the negative differential thermal conductance effect but also the thermal rectification effect. By contrast, the cooperative effect just causes the thermal rectification effect. Furthermore, the thermal rectification ratio and the magnitude of heat current should be seen as two inseparable signs for characterizing the thermal rectification effect. These discoveries can add more application for the graphene-based superconducting junction, such as heat diode and heat transistor, at cryogenic temperatures.

  7. Negative Thermal Expansion and Ferroelectric Oxides in Electronic Device Composites

    NASA Astrophysics Data System (ADS)

    Trujillo, Joy Elizabeth

    Electronic devices increasingly pervade our daily lives, driving the need to develop components which have material properties that can be designed to target a specific need. The principle motive of this thesis is to investigate the effects of particle size and composition on three oxides which possess electronic and thermal properties essential to designing improved ceramic composites for more efficient, high energy storage devices. A metal matrix composite project used the negative thermal expansion oxide, ZrW2O 8, to offset the high thermal expansion of the metal matrix without sacrificing high thermal conductivity. Composite preparation employed a powder mixing technique to achieve easy composition control and homogenous phase distribution in order to build composites which target a specific coefficient of thermal expansion (CTE). A tailorable CTE material is desirable for overcoming thermomechanical failure in heat sinks or device casings. This thesis also considers the particle size effect on dielectric properties in a common ferroelectric perovskite, Ba1-xSrxTiO 3. By varying the Ba:Sr ratio, the Curie temperature can be adjusted and by reducing the particle size, the dielectric constant can be increased and hysteresis decreased. These conditions could yield anonymously large dielectric constants near room temperature. However, the ferroelectric behavior has been observed to cease below a minimum size of a few tens of nanometers in bulk or thin film materials. Using a new particle slurry approach, electrochemical impedance spectroscopy allows dielectric properties to be determined for nanoparticles, as opposed to conventional methods which measure only bulk or thin film dielectric properties. In this manner, Ba1-xSrxTiO3 was investigated in a new size regime, extending the theory on the ferroelectric behavior to < 10 nm diameter. This knowledge will improve the potential to incorporate high dielectric constant, low loss ferroelectric nanoparticles in many

  8. Negative Thermal Expansion of Ultrathin Metal Nanowires: A Computational Study.

    PubMed

    Ho, Duc Tam; Kwon, Soon-Yong; Park, Harold S; Kim, Sung Youb

    2017-08-09

    Most materials expand upon heating because the coefficient of thermal expansion (CTE), the fundamental property of materials characterizing the mechanical response of the materials to heating, is positive. There have been some reports of materials that exhibit negative thermal expansion (NTE), but most of these have been in complex alloys, where NTE originates from the transverse vibrations of the materials. Here, we show using molecular dynamics simulations that some single crystal monatomic FCC metal nanowires can exhibit NTE along the length direction due to a novel thermomechanical coupling. We develop an analytic model for the CTE in nanowires that is a function of the surface stress, elastic modulus, and nanowire size. The model suggests that the CTE of nanowires can be reduced due to elastic softening of the materials and also due to surface stress. For the nanowires, the model predicts that the CTE reduction can lead to NTE if the nanowire Young's modulus is sufficiently reduced while the nanowire surface stress remains sufficiently large, which is in excellent agreement with the molecular dynamics simulation results. Overall, we find a "smaller is smaller" trend for the CTE of nanowires, leading to this unexpected, surface-stress-driven mechanism for NTE in nanoscale materials.

  9. Negative thermal expansion due to negative area compressibility in TlGaSe2 semiconductor with layered crystalline structure

    NASA Astrophysics Data System (ADS)

    Seyidov, MirHasan Yu.; Suleymanov, Rauf A.

    2010-09-01

    We conducted comparison of the original experimental data of the temperature dependences of thermal expansion in crystals with layered crystalline structure. It is shown that in most crystals with layered structure (graphite, boron nitride, GaSe, GaS, and InSe) the effect of negative thermal expansion can be explained by the specific character of the phonon spectra. It was shown, that in contrast to other crystals with layered structure, negative thermal expansion in the layers' plane of TlGaSe2 is the result of negative area compressibility. We demonstrate that the thermal expansion of TlGaSe2 crystals can be controlled by illumination, external electric field, and thermal annealing. The nature of observed effects and a special mechanism of the negative area compressibility in TlGaSe2 crystals are discussed.

  10. Positive/Negative Mid Uv Resists With High Thermal Stability

    NASA Astrophysics Data System (ADS)

    Ito, Hiroshi; Wilson, C. G.; Frechet, Jean M.

    1987-08-01

    New mid UV resist systems based on poly(p-vinylbenzoates) sensitized with diphenyl-4-thiophenoxyphenylsulfonium hexafluoroantimonate are described. t-Butyl, cyclohexenyl, a-methylbenzyl, and a-methylallyl esters are converted upon postbake to poly(p-vinylbenzoic acid) through thermolysis reaction catalyzed by the photochemically generated Bronsted acid, inducing a large change in the polarity of the repeating units. Thus, development in aqueous base such as MF312/water or alcohol provides a positive tone image of the mask, while the use of a nonpolar organic developer allows a negative tone imaging. Because the glass transition temperature of poly(p-vinylbenzoic acid) is ca. 250° C, the negative image is devoid of thermal flow to this temperature even without any hardening processes. Another interesting feature of the benzoate resists is their high opacity in the deep UV region. The optical density of a 1μ thick film of poly(p-vinylbenzoic acid) is 3.5 at 254 nm and the benzoate polymers are as absorbing as the acid polymer. This high deep UV absorption of the resin necessitates the imaging above 300 nm for good light penetration (or by e-beam or X-ray) and makes the use of this resist as an imaging layer in the PCM scheme very attractive. This imaging layer is especially useful when employed in conjunction with a planarizing layer absorbing above 240 nm (for example, PMGI) as addition of a dye is not required.

  11. Anion-mediated negative thermal expansion in lanthanum hexaboride

    NASA Astrophysics Data System (ADS)

    Mattox, Tracy M.; Groome, Chloe; Doran, Andrew; Beavers, Christine M.; Urban, Jeffrey J.

    2017-10-01

    Lanthanum hexaboride (LaB6) is well known for its thermionic emission, mechanical hardness, and intriguing optical properties. Though this material has been studied for decades, it is difficult to design LaB6 to meet application needs because little is understood about the mechanistic details of the synthesis. The ability to observe lattice formation during the reaction through in-situ x-ray diffraction is helping improve our knowledge. We report here the strong influence of anion size of the lanthanum precursor in the solid state reaction of LaX3 (X = Cl or I) and NaBH4. The Cl atom of the precursor remains within LaB6 post-synthesis and causes negative thermal expansion when the lattice is heated. Replacing Cl with the larger I atom has a larger impact on crystal growth; however, I does not remain within the lattice post-synthesis. These results suggest subtle new synthetic knobs may be available to optimize the synthesis of LaB6 that have previously gone unexplored.

  12. Negative thermal expansion in functional materials: controllable thermal expansion by chemical modifications.

    PubMed

    Chen, Jun; Hu, Lei; Deng, Jinxia; Xing, Xianran

    2015-06-07

    Negative thermal expansion (NTE) is an intriguing physical property of solids, which is a consequence of a complex interplay among the lattice, phonons, and electrons. Interestingly, a large number of NTE materials have been found in various types of functional materials. In the last two decades good progress has been achieved to discover new phenomena and mechanisms of NTE. In the present review article, NTE is reviewed in functional materials of ferroelectrics, magnetics, multiferroics, superconductors, temperature-induced electron configuration change and so on. Zero thermal expansion (ZTE) of functional materials is emphasized due to the importance for practical applications. The NTE functional materials present a general physical picture to reveal a strong coupling role between physical properties and NTE. There is a general nature of NTE for both ferroelectrics and magnetics, in which NTE is determined by either ferroelectric order or magnetic one. In NTE functional materials, a multi-way to control thermal expansion can be established through the coupling roles of ferroelectricity-NTE, magnetism-NTE, change of electron configuration-NTE, open-framework-NTE, and so on. Chemical modification has been proved to be an effective method to control thermal expansion. Finally, challenges and questions are discussed for the development of NTE materials. There remains a challenge to discover a "perfect" NTE material for each specific application for chemists. The future studies on NTE functional materials will definitely promote the development of NTE materials.

  13. Non-linear dielectric effect in the isotropic phase above the isotropic-cholesteric phase transition

    NASA Astrophysics Data System (ADS)

    Mukherjee, Prabir K.; Chakraborty, Sumanta; Rzoska, Sylwester J.

    2011-11-01

    Using the Landau-de Gennes theory, the temperature, pressure and frequency dependence of the non-linear effect in the isotropic phase above the isotropic-cholesteric phase transition is calculated. The influence of pressure on the isotropic-cholesteric phase transition is discussed by varying the coupling between the orientational order parameter and the macroscopic polarization of polar cholesterics. Comparing the results of the calculations with existing data, we finally conclude that the model provides a description of the isotropic-cholesteric transition that takes all experimentally known features of the unusual negative and positive pretransitional effect in the isotropic phase of the system into account in a qualitatively correct way.

  14. Systematic and controllable negative, zero, and positive thermal expansion in cubic Zr(1-x)Sn(x)Mo2O8.

    PubMed

    Tallentire, Sarah E; Child, Felicity; Fall, Ian; Vella-Zarb, Liana; Evans, Ivana Radosavljević; Tucker, Matthew G; Keen, David A; Wilson, Claire; Evans, John S O

    2013-08-28

    We describe the synthesis and characterization of a family of materials, Zr1-xSnxMo2O8 (0 < x < 1), whose isotropic thermal expansion coefficient can be systematically varied from negative to zero to positive values. These materials allow tunable expansion in a single phase as opposed to using a composite system. Linear thermal expansion coefficients, αl, ranging from -7.9(2) × 10(-6) to +5.9(2) × 10(-6) K(-1) (12-500 K) can be achieved across the series; contraction and expansion limits are of the same order of magnitude as the expansion of typical ceramics. We also report the various structures and thermal expansion of "cubic" SnMo2O8, and we use time- and temperature-dependent diffraction studies to describe a series of phase transitions between different ordered and disordered states of this material.

  15. Negative Thermal Expansion In Ultrathin Plasma Polymerized Films (Preprint)

    DTIC Science & Technology

    2007-03-01

    associated with expansion in some systems makes thermal contraction thermodynamically favorable.35 However, the nature of NTE in 4 PECVD thermal expansion...2006 [26] Grill , A. Cold Plasma in Materials Fabrication (IEEE Press, New York, 1994). [27] Biederman, H. Plasma Polymer Films (Imperial College Press

  16. Negative thermal expansion materials related to cubic zirconium tungstate

    NASA Astrophysics Data System (ADS)

    Lind, Cora

    2001-12-01

    A non-hydrolytic sol-gel method for the preparation of ZrW2O 8 was developed. A new trigonal polymorph was discovered, which is structurally related to trigonal ZrMO2O8 and MnRe2O 8 as evidenced by powder x-ray diffraction and EXAFS studies. Seeding of the starting mixtures with cubic ZrW2O8 promoted crystallization of the cubic phase instead of trigonal material. Dehydration of ZrW2O7(OH)2·2H 2O gave cubic ZrW2O8 at 650°C, and a modification of this route led to the discovery of the new NTE materials cubic ZrMo 2O8 and HfMo2O8. These compounds crystallize in the same temperature range as the more stable trigonal AMo2O 8 polymorphs. To facilitate preparation of phase pure cubic molybdates, the influence of precursor chemistry on the crystallization behavior was investigated. The synthesis was extended to the solid solution system ZrxHf 1-xMoyW2-yO8 (0 ≤ x ≤ 1, 0 ≤ y ≤ 2). All compounds showed negative thermal expansion between 77 and 573 K. High-pressure in situ diffraction experiments were conducted on several AM2O8 polymorphs. With the exception of monoclinic ZrMo2O8, all materials underwent at least one pressure induced phase transition. Quasi-hydrostatic experiments on cubic AMo 2O8 led to a reversible transition to a new high-pressure structure, while low-pressure amorphization was observed under non-hydrostatic conditions. Isothermal kinetic studies of the cubic to trigonal transformation for ZrMo2O8 were carried out on four samples. Apparent activation energies of 170--290 kJ/mol were obtained using an Avrami model in combination with an Arrhenius analysis. This corresponds to 5% conversion levels after one year at temperatures between 220 and 315°C. Ex situ studies showed that the conversion at lower temperatures was considerably slower than what would be expected from extrapolation of the kinetic data. Drop solution calorimetry was carried out on several polymorphs of ZrMo 2O8, HfMo2O8 and ZrW2O 8. Only monoclinic ZrMo2O8 was enthalpically

  17. Constitutive modeling for isotropic materials

    NASA Technical Reports Server (NTRS)

    Ramaswamy, V. G.; Vanstone, R. H.; Dame, L. T.; Laflen, J. H.

    1984-01-01

    The unified constitutive theories for application to typical isotropic cast nickel base supperalloys used for air-cooled turbine blades were evaluated. The specific modeling aspects evaluated were: uniaxial, monotonic, cyclic, creep, relaxation, multiaxial, notch, and thermomechanical behavior. Further development of the constitutive theories to model thermal history effects, refinement of the material test procedures, evaluation of coating effects, and verification of the models in an alternate material will be accomplished in a follow-on for this base program.

  18. Negative Thermal Expansion in Ultrathin Plasma Polymerized Films (Postprint)

    DTIC Science & Technology

    2007-03-01

    M.; Pan, Y. V.; Wagner, M. S.; Hauch, K. D.; Castner, D. G.; Ratner, B. D.; Horbett. T. A. J. Biomater. Sci., Polym. Ed. 2001, 12, 961. (26) Grill , A...associated with expansion in some systems makes thermal contraction thermodynamically favorable.35 However, the nature of NTE in amorphous polymer

  19. Ab initio study of the phononic origin of negative thermal expansion

    NASA Astrophysics Data System (ADS)

    Argaman, Uri; Eidelstein, Eitan; Levy, Ohad; Makov, Guy

    2016-11-01

    Negative thermal expansion is an uncommon phenomenon of theoretical interest. Multiple hypotheses regarding its microscopic origins have been suggested. In this paper, the thermal expansion of a representative semiconductor, Si, and a representative metal, Ti, are calculated ab initio using density-functional perturbation theory. The phonon modes' contributions to the thermal expansion are analyzed and the negative thermal expansion is shown to be dominated by negative mode Grüneisen parameters at specific points on the Brillouin zone boundaries. Thus, the elastic (Debye) theory for negative thermal expansion is shown to be irrelevant for these phenomena. The anomalous behavior of these modes in Ti is shown to be unaffected by an electronic topological transition as previously suggested, instead it arises from complex interplay of atomic displacements of the anomalous mode.

  20. Bistability and thermal coupling in elastic metamaterials with negative compressibility.

    PubMed

    Chen, M L; Karpov, E G

    2014-09-01

    When elastic metamaterials are subjected to tension they may respond by undergoing contraction instead of expansion as an ordinary material would (and vice versa). This negative compressibility behavior can only occur if the system moves from one stable state to a different stable state as the force is applied, i.e., displays bistability. With a simple model potential, we demonstrate that this negative behavior leading to a pinched hysteresis on the stress cycle diagram is a solid-to-solid condensation-type phase transformation. In addition, we show that the negative compressibility may disappear in realistic dynamical systems, unless coupling with an external heat sink is strong enough to stabilize the newly formed phase. Such a material is an open thermodynamical system where the condensation process is accompanied by a fast return of the released heat into the ambient. Molecular dynamics with Verlet integration is used to study the dynamics of this behavior.

  1. Simulation study of negative thermal expansion in yttrium tungstate Y2W3O12.

    PubMed

    Rimmer, Leila H N; Dove, Martin T

    2015-05-13

    A simulation study of negative thermal expansion in Y2W3O12 was carried out using calculations of phonon dispersion curves through the application of density functional perturbation theory. The mode eigenvectors were mapped onto flexibility models and results compared with calculations of the mode Grüneisen parameters. It was found that many lower-frequency phonons contribute to negative thermal expansion in Y2W3O12, all of which can be described in terms of rotations of effectively rigid WO4 tetrahedra and Y-O rods. The results are strikingly different from previous phonon studies of higher-symmetry materials that show negative thermal expansion.

  2. Local Structural Distortion Induced Uniaxial Negative Thermal Expansion in Nanosized Semimetal Bismuth.

    PubMed

    Li, Qiang; Zhu, He; Zheng, Lirong; Fan, Longlong; Ren, Yang; Chen, Jun; Deng, Jinxia; Xing, Xianran

    2016-11-01

    The corrugated layer structure bismuth has been successfully tailored into negative thermal expansion along c axis by size effect. Pair distribution function and extended X-ray absorption fine structure are combined to reveal the local structural distortion for nanosized bismuth. The comprehensive method to identify the local structure of nanomaterials can benefit the regulating and controlling of thermal expansion in nanodivices.

  3. Effect of gas pressure on negative thermal expansion in MOF-5.

    PubMed

    Lock, Nina; Christensen, Mogens; Kepert, Cameron J; Iversen, Bo B

    2013-01-28

    Powder diffraction is used to study thermal expansion properties of MOF-5 at moderate helium gas pressures: 1.7 bar (100-500 K) and 5-150 bar (150-300 K). The framework shows negative thermal expansion (NTE) at all pressures, but vibrational motions causing NTE are damped with increasing pressures, leading to decreased NTE.

  4. Safety of isotropic flywheels

    SciTech Connect

    Schwartz, M.W.

    1981-04-30

    A probabilistic safety criterion for isotropic flywheel rotors is established based on the tolerated noncontainment failure rates of commercial aircraft turbojet engine rotors. A technique is developed combining reliability with fracture mechanics, and a sample calculation provided, to show the energy-storage levels that isotropic flywheel rotors could achieve within the constraints of this safety criterion.

  5. Investigation of negative refractive index in isotropic chiral metamaterials under first and second-order material dispersion with and without conductive loss

    NASA Astrophysics Data System (ADS)

    Algadey, Tarig Abobaker

    In recent years, considerable research has been carried out relative to the electromagnetic (EM) propagation and refraction characteristics in metamaterials with emphasis on the origins of negative refractive index. Negative refractive index may be introduced in metamaterials via different methods; one such is the condition whereby the Poynting vector of the EM wave is in opposition to the group velocity in the material. Alternatively, negative refractive index also occurs when the group and phase velocities in the medium are in opposition. The latter phenomenon has been investigated extensively in the literature, including recent work involving chiral metamaterials with material dispersion up to the first order. This dissertation examines the possible emergence of negative refractive index in dispersive chiral (lossless and lossy) metamaterials with material dispersion up to the first and second order. The motivation of this work has two parts- the first part is to determine if using second- as opposed to first-order material dispersion may lead to more practically realizable negative index behavior in the lossless material; the second part is to determine if including the conductive loss to the medium with material dispersion up to the first order (a feature likely to be present in most realistic cases; conductive losses in such materials as nanometals, or dielectric losses in a variety of other nanomaterials, such as lithium niobate and Sic+Ag) may lead to the emergence of negative index. This dissertation investigates the above problems (with the exception of lossy dielectrics, the determination of which is currently ongoing) by using spectral and phasor plane-wave based analytical approaches as well as alternative analysis incorporating practical physical models into the electromagnetic equations. In this work, a spectral approach combined with slowly time-varying phasor analysis is applied leading to the derivation of EM phase and group velocities

  6. Uniaxial negative thermal expansion facilitated by weak host-guest interactions.

    PubMed

    Engel, Emile R; Smith, Vincent J; Bezuidenhout, Charl X; Barbour, Leonard J

    2014-04-25

    A nitromethane solvate of 18-crown-6 was investigated by means of variable-temperature single-crystal X-ray diffraction in response to a report of abnormal unit cell contraction. Exceptionally large positive thermal expansion in two axial directions and negative thermal expansion along the third was confirmed. The underlying mechanism relies exclusively on weak electrostatic interactions to yield a linear thermal expansion coefficient of -129 × 10(-6) K(-1), the largest negative value yet observed for an organic inclusion compound.

  7. Pronounced negative thermal expansion from a simple structure: cubic ScF(3).

    PubMed

    Greve, Benjamin K; Martin, Kenneth L; Lee, Peter L; Chupas, Peter J; Chapman, Karena W; Wilkinson, Angus P

    2010-11-10

    Scandium trifluoride maintains a cubic ReO(3) type structure down to at least 10 K, although the pressure at which its cubic to rhombohedral phase transition occurs drops from >0.5 GPa at ∼300 K to 0.1-0.2 GPa at 50 K. At low temperatures it shows strong negative thermal expansion (NTE) (60-110 K, α(l) ≈ -14 ppm K(-1)). On heating, its coefficient of thermal expansion (CTE) smoothly increases, leading to a room temperature CTE that is similar to that of ZrW(2)O(8) and positive thermal expansion above ∼1100 K. While the cubic ReO(3) structure type is often used as a simple illustration of how negative thermal expansion can arise from the thermally induced rocking of rigid structural units, ScF(3) is the first material with this structure to provide a clear experimental illustration of this mechanism for NTE.

  8. Bidirectional negative differential thermal resistance in three-segment Frenkel-Kontorova lattices

    NASA Astrophysics Data System (ADS)

    Ou, Ya-li; Lu, Shi-cai; Hu, Cai-tian; Ai, Bao-quan

    2016-12-01

    By coupling three nonlinear 1D lattice segments, we demonstrate a thermal insulator model, where the system acts like an insulator for large temperature bias and a conductor for very small temperature bias. We numerically investigate the parameter range of the thermal insulator and find that the nonlinear response (the role of on-site potential), the weakly coupling interaction between each segment, and the small system size collectively contribute to the appearance of bidirectional negative differential thermal resistance (BNDTR). The corresponding exhibition of BNDTR can be explained in terms of effective phonon-band shifts. Our results can provide a new perspective for understanding the microscopic mechanism of negative differential thermal resistance and also would be conducive to further developments in designing and fabricating thermal devices and functional materials.

  9. Giant negative linear compression positively coupled to massive thermal expansion in a metal-organic framework.

    PubMed

    Cai, Weizhao; Katrusiak, Andrzej

    2014-07-04

    Materials with negative linear compressibility are sought for various technological applications. Such effects were reported mainly in framework materials. When heated, they typically contract in the same direction of negative linear compression. Here we show that this common inverse relationship rule does not apply to a three-dimensional metal-organic framework crystal, [Ag(ethylenediamine)]NO3. In this material, the direction of the largest intrinsic negative linear compression yet observed in metal-organic frameworks coincides with the strongest positive thermal expansion. In the perpendicular direction, the large linear negative thermal expansion and the strongest crystal compressibility are collinear. This seemingly irrational positive relationship of temperature and pressure effects is explained and the mechanism of coupling of compressibility with expansivity is presented. The positive coupling between compression and thermal expansion in this material enhances its piezo-mechanical response in adiabatic process, which may be used for designing new artificial composites and ultrasensitive measuring devices.

  10. Robust high pressure stability and negative thermal expansion in sodium-rich antiperovskites Na3OBr and Na4OI2

    NASA Astrophysics Data System (ADS)

    Wang, Yonggang; Wen, Ting; Park, Changyong; Kenney-Benson, Curtis; Pravica, Michael; Yang, Wenge; Zhao, Yusheng

    2016-01-01

    The structure stability under high pressure and thermal expansion behavior of Na3OBr and Na4OI2, two prototypes of alkali-metal-rich antiperovskites, were investigated by in situ synchrotron X-ray diffraction techniques under high pressure and low temperature. Both are soft materials with bulk modulus of 58.6 GPa and 52.0 GPa for Na3OBr and Na4OI2, respectively. The cubic Na3OBr structure and tetragonal Na4OI2 with intergrowth K2NiF4 structure are stable under high pressure up to 23 GPa. Although being a characteristic layered structure, Na4OI2 exhibits nearly isotropic compressibility. Negative thermal expansion was observed at low temperature range (20-80 K) in both transition-metal-free antiperovskites for the first time. The robust high pressure structure stability was examined and confirmed by first-principles calculations among various possible polymorphisms qualitatively. The results provide in-depth understanding of the negative thermal expansion and robust crystal structure stability of these antiperovskite systems and their potential applications.

  11. Robust high pressure stability and negative thermal expansion in sodium-rich antiperovskites Na{sub 3}OBr and Na{sub 4}OI{sub 2}

    SciTech Connect

    Wang, Yonggang E-mail: yangwg@hpstar.ac.cn; Wen, Ting; Park, Changyong; Kenney-Benson, Curtis; Pravica, Michael; Zhao, Yusheng E-mail: yangwg@hpstar.ac.cn; Yang, Wenge E-mail: yangwg@hpstar.ac.cn

    2016-01-14

    The structure stability under high pressure and thermal expansion behavior of Na{sub 3}OBr and Na{sub 4}OI{sub 2}, two prototypes of alkali-metal-rich antiperovskites, were investigated by in situ synchrotron X-ray diffraction techniques under high pressure and low temperature. Both are soft materials with bulk modulus of 58.6 GPa and 52.0 GPa for Na{sub 3}OBr and Na{sub 4}OI{sub 2}, respectively. The cubic Na{sub 3}OBr structure and tetragonal Na{sub 4}OI{sub 2} with intergrowth K{sub 2}NiF{sub 4} structure are stable under high pressure up to 23 GPa. Although being a characteristic layered structure, Na{sub 4}OI{sub 2} exhibits nearly isotropic compressibility. Negative thermal expansion was observed at low temperature range (20–80 K) in both transition-metal-free antiperovskites for the first time. The robust high pressure structure stability was examined and confirmed by first-principles calculations among various possible polymorphisms qualitatively. The results provide in-depth understanding of the negative thermal expansion and robust crystal structure stability of these antiperovskite systems and their potential applications.

  12. Negative-index gratings formed by femtosecond laser overexposure and thermal regeneration

    PubMed Central

    He, Jun; Wang, Yiping; Liao, Changrui; Wang, Chao; Liu, Shen; Yang, Kaiming; Wang, Ying; Yuan, Xiaocong; Wang, Guo Ping; Zhang, Wenjing

    2016-01-01

    We demonstrate a method for the preparation of negative-index fibre Bragg gratings (FBGs) using 800 nm femtosecond laser overexposure and thermal regeneration. A positive-index type I-IR FBG was first inscribed in H2-free single-mode fibre using a femtosecond laser directed through a phase mask, and then a highly polarization dependant phase-shifted FBG (P-PSFBG) was fabricated from the type I-IR FBG by overexposure to the femtosecond laser. Subsequently, the P-PSFBG was thermally annealed at 800 °C for 12 hours. Grating regeneration was observed during thermal annealing, and a negative-index FBG was finally obtained with a high reflectivity of 99.22%, an ultra-low insertion loss of 0.08 dB, a blueshift of 0.83 nm in the Bragg wavelength, and an operating temperature of up to 1000 °C for more than 10 hours. Further annealing tests showed that the thermal stability of the negative-index FBG was lower than that of a type II-IR FBG, but much higher than that of a type I-IR FBG. Moreover, the formation of such a negative-index grating may result from thermally regenerated type IIA photosensitivity. PMID:26979090

  13. Two Decades of Negative Thermal Expansion Research: Where Do We Stand?

    PubMed Central

    Lind, Cora

    2012-01-01

    Negative thermal expansion (NTE) materials have become a rapidly growing area of research over the past two decades. The initial discovery of materials displaying NTE over a large temperature range, combined with elucidation of the mechanism behind this unusual property, was followed by predictions that these materials will find use in various applications through controlled thermal expansion composites. While some patents have been filed and devices built, a number of obstacles have prevented the widespread implementation of NTE materials to date. This paper reviews NTE materials that contract due to transverse atomic vibrations, their potential for use in controlled thermal expansion composites, and known problems that could interfere with such applications. PMID:28817027

  14. Two Decades of Negative Thermal Expansion Research: Where Do We Stand?

    PubMed

    Lind, Cora

    2012-06-20

    Negative thermal expansion (NTE) materials have become a rapidly growing area of research over the past two decades. The initial discovery of materials displaying NTE over a large temperature range, combined with elucidation of the mechanism behind this unusual property, was followed by predictions that these materials will find use in various applications through controlled thermal expansion composites. While some patents have been filed and devices built, a number of obstacles have prevented the widespread implementation of NTE materials to date. This paper reviews NTE materials that contract due to transverse atomic vibrations, their potential for use in controlled thermal expansion composites, and known problems that could interfere with such applications.

  15. Bidirectional negative differential thermal resistance phenomenon and its physical mechanism in the Frenkel-Kontorova lattices

    SciTech Connect

    Jianqiang, Zhang; Linru, Nie Chongyang, Chen; Xinyu, Zhang

    2016-07-15

    Thermal conduction of the Frenkel-Kontorova (FK) lattices with interfacial coupling is investigated numerically. The results indicate that: (i) For appropriate lattice periods, as the system is symmetric, a bidirectional negative differential thermal resistance (NDTR) phenomenon will appear. If the system is asymmetric, the bidirectional NDTR is gradually converted into an unidirectional NDTR. (ii) The bidirectional NDTR phenomenon effect also depends on the period of the FK lattice as the other parameters remains unchanged. With the increment of the lattice period, the bidirectional NDTR will gradually disappear. (iii) From a stochastic dynamics point of view, thermal transport properties of the system are determined by the competition between the two types of thermal conduction: one comes from the collusion between atoms, the other is due to the elastic coupling between atoms. For the smaller lattice periods, the former type of thermal conduction occupies the dominating position and the NDTR effect will appear.

  16. Vanadium Dioxide as a Natural Disordered Metamaterial: Perfect Thermal Emission and Large Broadband Negative Differential Thermal Emittance

    NASA Astrophysics Data System (ADS)

    Kats, Mikhail A.; Blanchard, Romain; Zhang, Shuyan; Genevet, Patrice; Ko, Changhyun; Ramanathan, Shriram; Capasso, Federico

    2013-10-01

    We experimentally demonstrate that a thin (approximately 150-nm) film of vanadium dioxide (VO2) deposited on sapphire has an anomalous thermal emittance profile when heated, which arises because of the optical interaction between the film and the substrate when the VO2 is at an intermediate state of its insulator-metal transition (IMT). Within the IMT region, the VO2 film comprises nanoscale islands of the metal and dielectric phases and can thus be viewed as a natural, disordered metamaterial. This structure displays “perfect” blackbodylike thermal emissivity over a narrow wavelength range (approximately 40cm-1), surpassing the emissivity of our black-soot reference. We observe large broadband negative differential thermal emittance over a >10°C range: Upon heating, the VO2-sapphire structure emits less thermal radiation and appears colder on an infrared camera. Our experimental approach allows for a direct measurement and extraction of wavelength- and temperature-dependent thermal emittance. We anticipate that emissivity engineering with thin-film geometries comprising VO2 and other thermochromic materials will find applications in infrared camouflage, thermal regulation, and infrared tagging and labeling.

  17. Negative differential thermal conductance and heat amplification in superconducting hybrid devices

    NASA Astrophysics Data System (ADS)

    Fornieri, Antonio; Timossi, Giuliano; Bosisio, Riccardo; Solinas, Paolo; Giazotto, Francesco

    2016-04-01

    We investigate the thermal transport properties of a temperature-biased Josephson tunnel junction composed of two different superconductors. We show that this simple system can provide a large negative differential thermal conductance (NDTC) with a peak-to-valley ratio of ˜3 in the transmitted electronic heat current. The NDTC is then exploited to outline the caloritronic analog of the tunnel diode, which can exhibit a modulation of the output temperature as large as 80 mK at a bath temperature of 50 mK. Moreover, this device may work in a regime of thermal hysteresis that can be used to store information as a thermal memory. On the other hand, the NDTC effect offers the opportunity to conceive two different designs of a thermal transistor, which might operate as a thermal switch or as an amplifier/modulator. The latter shows a heat amplification factor >1 in a 500-mK-wide working region of the gate temperature. After the successful realization of heat interferometers and thermal diodes, this kind of structures would complete the conversion of the most important electronic devices in their thermal counterparts, breaking ground for coherent caloritronics nanocircuits where heat currents can be manipulated at will.

  18. Structural relationship between negative thermal expansion and quartic anharmonicity of cubic ScF3.

    PubMed

    Li, Chen W; Tang, Xiaoli; Muñoz, J A; Keith, J B; Tracy, S J; Abernathy, D L; Fultz, B

    2011-11-04

    Cubic scandium trifluoride (ScF3) has a large negative thermal expansion over a wide range of temperatures. Inelastic neutron scattering experiments were performed to study the temperature dependence of the lattice dynamics of ScF3 from 7 to 750 K. The measured phonon densities of states show a large anharmonic contribution with a thermal stiffening of modes around 25 meV. Phonon calculations with first-principles methods identified the individual modes in the densities of states, and frozen phonon calculations showed that some of the modes with motions of F atoms transverse to their bond direction behave as quantum quartic oscillators. The quartic potential originates from harmonic interatomic forces in the DO9 structure of ScF3, and accounts for phonon stiffening with the temperature and a significant part of the negative thermal expansion.

  19. Structural relationship between negative thermal expansion and quartic anharmonicity of cubic ScF3

    SciTech Connect

    Li, Chen W.; Tang, Xiaoli; Munoz, Jorge A.; Keith, J. Brian; Tracy, Sally J.; Abernathy, Douglas L; Fultz, B.

    2011-01-01

    Cubic scandium trifluoride (ScF{sub 3}) has a large negative thermal expansion over a wide range of temperatures. Inelastic neutron scattering experiments were performed to study the temperature dependence of the lattice dynamics of ScF{sub 3} from 7 to 750 K. The measured phonon densities of states show a large anharmonic contribution with a thermal stiffening of modes around 25 meV. Phonon calculations with first-principles methods identified the individual modes in the densities of states, and frozen phonon calculations showed that some of the modes with motions of F atoms transverse to their bond direction behave as quantum quartic oscillators. The quartic potential originates from harmonic interatomic forces in the DO{sub 9} structure of ScF{sub 3}, and accounts for phonon stiffening with the temperature and a significant part of the negative thermal expansion.

  20. Large negative thermal expansion of a polymer driven by a submolecular conformational change.

    PubMed

    Shen, Xingyuan; Viney, Christopher; Johnson, Erin R; Wang, Changchun; Lu, Jennifer Q

    2013-12-01

    Mechanoresponsive polymers hold great technological potential in drug delivery, 'smart' optical systems and microelectromechanical systems. However, hysteresis and fatigue (associated with large-scale polymer chain rearrangement) are often problematic. Here, we describe a polyarylamide film that contains s-dibenzocyclooctadiene (DBCOD), which can generate unconventional and completely reversible thermal contraction under low-energy stimulation. The films exhibit a giant negative thermal expansion coefficient of approximately -1,200 ppm K(-1) at ambient or near-ambient temperatures, much higher than any known negative-thermal-expansion materials under similar operating conditions. Mechanical characterization, calorimetry, spectroscopic analysis and density-functional theory calculations all point to the conformational change of the DBCOD moiety, from the thermodynamic global energy minimum (twist-boat) to a local minimum (chair), as the origin of this abnormal thermal shrinkage. This newly identified, low-energy-driven, thermally agile molecular subunit opens a new pathway to creating near-infrared-based macromolecular switches and motors, and for ambient thermal energy storage and conversion.

  1. Large negative thermal expansion of a polymer driven by a submolecular conformational change

    NASA Astrophysics Data System (ADS)

    Shen, Xingyuan; Viney, Christopher; Johnson, Erin R.; Wang, Changchun; Lu, Jennifer Q.

    2013-12-01

    Mechanoresponsive polymers hold great technological potential in drug delivery, ‘smart’ optical systems and microelectromechanical systems. However, hysteresis and fatigue (associated with large-scale polymer chain rearrangement) are often problematic. Here, we describe a polyarylamide film that contains s-dibenzocyclooctadiene (DBCOD), which can generate unconventional and completely reversible thermal contraction under low-energy stimulation. The films exhibit a giant negative thermal expansion coefficient of approximately -1,200 ppm K-1 at ambient or near-ambient temperatures, much higher than any known negative-thermal-expansion materials under similar operating conditions. Mechanical characterization, calorimetry, spectroscopic analysis and density-functional theory calculations all point to the conformational change of the DBCOD moiety, from the thermodynamic global energy minimum (twist-boat) to a local minimum (chair), as the origin of this abnormal thermal shrinkage. This newly identified, low-energy-driven, thermally agile molecular subunit opens a new pathway to creating near-infrared-based macromolecular switches and motors, and for ambient thermal energy storage and conversion.

  2. Phase transitions, prominent dielectric anomalies, and negative thermal expansion in three high thermally stable ammonium magnesium-formate frameworks.

    PubMed

    Shang, Ran; Xu, Guan-Cheng; Wang, Zhe-Ming; Gao, Song

    2014-01-20

    We present three Mg-formate frameworks, incorporating three different ammoniums: [NH4][Mg(HCOO)3] (1), [CH3CH2NH3][Mg(HCOO)3] (2) and [NH3(CH2)4NH3][Mg2(HCOO)6] (3). They display structural phase transitions accompanied by prominent dielectric anomalies and anisotropic and negative thermal expansion. The temperature-dependent structures, covering the whole temperature region in which the phase transitions occur, reveal detailed structural changes, and structure-property relationships are established. Compound 1 is a chiral Mg-formate framework with the NH4(+) cations located in the channels. Above 255 K, the NH4(+) cation vibrates quickly between two positions of shallow energy minima. Below 255 K, the cations undergo two steps of freezing of their vibrations, caused by the different inner profiles of the channels, producing non-compensated antipolarization. These lead to significant negative thermal expansion and a relaxor-like dielectric response. In perovskite 2, the orthorhombic phase below 374 K possesses ordered CH3CH2NH3(+) cations in the cubic cavities of the Mg-formate framework. Above 374 K, the structure becomes trigonal, with trigonally disordered cations, and above 426 K, another phase transition occurs and the cation changes to a two-fold disordered state. The two transitions are accompanied by prominent dielectric anomalies and negative and positive thermal expansion, contributing to the large regulation of the framework coupled the order-disorder transition of CH3CH2NH3(+). For niccolite 3, the gradually enhanced flipping movement of the middle ethylene of [NH3(CH2)4NH3](2+) in the elongated framework cavity finally leads to the phase transition with a critical temperature of 412 K, and the trigonally disordered cations and relevant framework change, providing the basis for the very strong dielectric dispersion, high dielectric constant (comparable to inorganic oxides), and large negative thermal expansion. The spontaneous polarizations

  3. Negative Gaussian curvature induces significant suppression of thermal conduction in carbon crystals.

    PubMed

    Zhang, Zhongwei; Chen, Jie; Li, Baowen

    2017-09-28

    From the mathematic category of surface Gaussian curvature, carbon allotropes can be classified into three types: zero curvature, positive curvature, and negative curvature. By performing Green-Kubo equilibrium molecular dynamics simulations, we found that surface curvature has a significant impact on the phonon vibration and thermal conductivity (κ) of carbon crystals. When curving from zero curvature to negative or positive curvature structures, κ is reduced by several orders of magnitude. Interestingly, we found that κ of negatively curved carbon crystals exhibits a monotonic dependence on curvature. Through phonon mode analysis, we show that curvature induces remarkable phonon softening in phonon dispersion, which results in the reduction of phonon group velocity and flattening of phonon band structure. Furthermore, the curvature was found to induce phonon mode hybridization, leading to the suppression of phonon relaxation time. Our study provides physical insight into thermal transport in curvature materials, and will be valuable in the modulation of phonon activity through surface curvature.

  4. A Material Showing Colossal Positive and Negative Volumetric Thermal Expansion with Hysteretic Magnetic Transition.

    PubMed

    Hu, Ji-Xiang; Xu, Yang; Meng, Yin-Shan; Zhao, Liang; Hayami, Shinya; Sato, Osamu; Liu, Tao

    2017-10-09

    It is an ongoing challenge to design and synthesize magnetic materials that undergo colossal thermal expansion and that possess potential applications as microscale or nanoscale actuators with magnetic functionality. A paramagnetic metallocyanate building block was used to construct a cyanide-bridged Fe-Co complex featuring both positive and negative colossal volumetric thermal-expansion behavior. A detailed study revealed that metal-to-metal charge transfer between 180 and 240 K induced a volumetric thermal expansion coefficient of 1498 MK(-1) accompanied with hysteretic spin transition. Rotation of the magnetic building blocks induced change of π⋅⋅⋅π interactions, resulting in a negative volume expansion coefficient of -489 MK(-1) , and another hysteretic magnetic transition between 300 and 350 K. This work presents a strategy for incorporating both colossal positive and negative volumetric thermal expansion with shape and magnetic memory effects in a material. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Mechanical properties and negative thermal expansion of a dense rare earth formate framework

    SciTech Connect

    Zhang, Zhanrui; Jiang, Xingxing; Feng, Guoqiang; Lin, Zheshuai; Hu, Bing; Li, Wei

    2016-01-15

    The fundamental mechanical properties of a dense metal–organic framework material, [NH{sub 2}CHNH{sub 2}][Er(HCOO){sub 4}] (1), have been studied using nanoindentation technique. The results demonstrate that the elastic moduli, hardnesses, and yield stresses on the (021)/(02−1) facets are 29.8/30.2, 1.80/1.83 and 0.93/1.01 GPa, respectively. Moreover, variable-temperature powder and single-crystal X-ray diffraction experiments reveal that framework 1 shows significant negative thermal expansion along its b axis, which can be explained by using a hinge–strut structural motif. - Graphical abstract: The structure of framework, [NH{sub 2}CHNH{sub 2}][Er(HCOO){sub 4}], and its indicatrix of thermal expansion. - Highlights: • The elastic modulus, hardness, and yield stress properties of a rare earth metal–organic framework material were studied via nanoindentation technique. • Variable-temperature powder X-ray diffraction experiments reveal that this framework shows significant negative thermal expansion along its b axis. • Based on variable-temperature single-crystal X-ray diffraction experiments, the mechanism of negative thermal expansion can be explained by a hinge–strut structural motif.

  6. Colossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer.

    PubMed

    Azuma, Masaki; Chen, Wei-tin; Seki, Hayato; Czapski, Michal; Olga, Smirnova; Oka, Kengo; Mizumaki, Masaichiro; Watanuki, Tetsu; Ishimatsu, Naoki; Kawamura, Naomi; Ishiwata, Shintaro; Tucker, Matthew G; Shimakawa, Yuichi; Attfield, J Paul

    2011-06-14

    The unusual property of negative thermal expansion is of fundamental interest and may be used to fabricate composites with zero or other controlled thermal expansion values. Here we report that colossal negative thermal expansion (defined as linear expansion <-10(-4) K(-1) over a temperature range ~100 K) is accessible in perovskite oxides showing charge-transfer transitions. BiNiO(3) shows a 2.6% volume reduction under pressure due to a Bi/Ni charge transfer that is shifted to ambient pressure through lanthanum substitution for Bi. Changing proportions of coexisting low- and high-temperature phases leads to smooth volume shrinkage on heating. The crystallographic linear expansion coefficient for Bi(0.95)La(0.05)NiO(3) is -137×10(-6) K(-1) and a value of -82×10(-6) K(-1) is observed between 320 and 380 K from a dilatometric measurement on a ceramic pellet. Colossal negative thermal expansion materials operating at ambient conditions may also be accessible through metal-insulator transitions driven by other phenomena such as ferroelectric orders.

  7. Colossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer

    PubMed Central

    Azuma, Masaki; Chen, Wei-tin; Seki, Hayato; Czapski, Michal; Olga, Smirnova; Oka, Kengo; Mizumaki, Masaichiro; Watanuki, Tetsu; Ishimatsu, Naoki; Kawamura, Naomi; Ishiwata, Shintaro; Tucker, Matthew G.; Shimakawa, Yuichi; Attfield, J. Paul

    2011-01-01

    The unusual property of negative thermal expansion is of fundamental interest and may be used to fabricate composites with zero or other controlled thermal expansion values. Here we report that colossal negative thermal expansion (defined as linear expansion <−10−4 K−1 over a temperature range ~100 K) is accessible in perovskite oxides showing charge-transfer transitions. BiNiO3 shows a 2.6% volume reduction under pressure due to a Bi/Ni charge transfer that is shifted to ambient pressure through lanthanum substitution for Bi. Changing proportions of coexisting low- and high-temperature phases leads to smooth volume shrinkage on heating. The crystallographic linear expansion coefficient for Bi0.95La0.05NiO3 is −137×10−6 K−1 and a value of −82×10−6 K−1 is observed between 320 and 380 K from a dilatometric measurement on a ceramic pellet. Colossal negative thermal expansion materials operating at ambient conditions may also be accessible through metal-insulator transitions driven by other phenomena such as ferroelectric orders. PMID:21673668

  8. Structural origin of the anisotropic and isotropic thermal expansion of K2NiF4-Type LaSrAlO4 and Sr2TiO4.

    PubMed

    Kawamura, Keishi; Yashima, Masatomo; Fujii, Kotaro; Omoto, Kazuki; Hibino, Keisuke; Yamada, Shuntaro; Hester, James R; Avdeev, Maxim; Miao, Ping; Torii, Shuki; Kamiyama, Takashi

    2015-04-20

    K2NiF4-type LaSrAlO4 and Sr2TiO4 exhibit anisotropic and isotropic thermal expansion, respectively; however, their structural origin is unknown. To address this unresolved issue, the crystal structure and thermal expansion of LaSrAlO4 and Sr2TiO4 have been investigated through high-temperature neutron and synchrotron X-ray powder diffraction experiments and ab initio electronic calculations. The thermal expansion coefficient (TEC) along the c-axis (αc) being higher than that along the a-axis (αa) of LaSrAlO4 [αc = 1.882(4)αa] is mainly ascribed to the TEC of the interatomic distance between Al and apical oxygen O2 α(Al-O2) being higher than that between Al and equatorial oxygen O1 α(Al-O1) [α(Al-O2) = 2.41(18)α(Al-O1)]. The higher α(Al-O2) is attributed to the Al-O2 bond being longer and weaker than the Al-O1 bond. Thus, the minimum electron density and bond valence of the Al-O2 bond are lower than those of the Al-O1 bond. For Sr2TiO4, the Ti-O2 interatomic distance, d(Ti-O2), is equal to that of Ti-O1, d(Ti-O1) [d(Ti-O2) = 1.0194(15)d(Ti-O1)], relative to LaSrAlO4 [d(Al-O2) = 1.0932(9)d(Al-O1)]. Therefore, the bond valence and minimum electron density of the Ti-O2 bond are nearly equal to those of the Ti-O1 bond, leading to isotropic thermal expansion of Sr2TiO4 than LaSrAlO4. These results indicate that the anisotropic thermal expansion of K2NiF4-type oxides, A2BO4, is strongly influenced by the anisotropy of B-O chemical bonds. The present study suggests that due to the higher ratio of interatomic distance d(B-O2)/d(B-O1) of A2(2.5+)B(3+)O4 compared with A2(2+)B(4+)O4, A2(2.5+)B(3+)O4 compounds have higher α(B-O2), and A2(2+)B(4+)O4 materials exhibit smaller α(B-O2), leading to the anisotropic thermal expansion of A2(2.5+)B(3+)O4 and isotropic thermal expansion of A2(2+)B(4+)O4. The "true" thermal expansion without the chemical expansion of A2BO4 is higher than that of ABO3 with a similar composition.

  9. Effect of negative emotions evoked by light, noise and taste on trigeminal thermal sensitivity.

    PubMed

    Yang, Guangju; Baad-Hansen, Lene; Wang, Kelun; Xie, Qiu-Fei; Svensson, Peter

    2014-11-07

    Patients with migraine often have impaired somatosensory function and experience headache attacks triggered by exogenous stimulus, such as light, sound or taste. This study aimed to assess the influence of three controlled conditioning stimuli (visual, auditory and gustatory stimuli and combined stimuli) on affective state and thermal sensitivity in healthy human participants. All participants attended four experimental sessions with visual, auditory and gustatory conditioning stimuli and combination of all stimuli, in a randomized sequence. In each session, the somatosensory sensitivity was tested in the perioral region with use of thermal stimuli with and without the conditioning stimuli. Positive and Negative Affect States (PANAS) were assessed before and after the tests. Subject based ratings of the conditioning and test stimuli in addition to skin temperature and heart rate as indicators of arousal responses were collected in real time during the tests. The three conditioning stimuli all induced significant increases in negative PANAS scores (paired t-test, P ≤0.016). Compared with baseline, the increases were in a near dose-dependent manner during visual and auditory conditioning stimulation. No significant effects of any single conditioning stimuli were observed on trigeminal thermal sensitivity (P ≥0.051) or arousal parameters (P ≥0.057). The effects of combined conditioning stimuli on subjective ratings (P ≤0.038) and negative affect (P = 0.011) were stronger than those of single stimuli. All three conditioning stimuli provided a simple way to evoke a negative affective state without physical arousal or influence on trigeminal thermal sensitivity. Multisensory conditioning had stronger effects but also failed to modulate thermal sensitivity, suggesting that so-called exogenous trigger stimuli e.g. bright light, noise, unpleasant taste in patients with migraine may require a predisposed or sensitized nervous system.

  10. Effect of negative emotions evoked by light, noise and taste on trigeminal thermal sensitivity

    PubMed Central

    2014-01-01

    Background Patients with migraine often have impaired somatosensory function and experience headache attacks triggered by exogenous stimulus, such as light, sound or taste. This study aimed to assess the influence of three controlled conditioning stimuli (visual, auditory and gustatory stimuli and combined stimuli) on affective state and thermal sensitivity in healthy human participants. Methods All participants attended four experimental sessions with visual, auditory and gustatory conditioning stimuli and combination of all stimuli, in a randomized sequence. In each session, the somatosensory sensitivity was tested in the perioral region with use of thermal stimuli with and without the conditioning stimuli. Positive and Negative Affect States (PANAS) were assessed before and after the tests. Subject based ratings of the conditioning and test stimuli in addition to skin temperature and heart rate as indicators of arousal responses were collected in real time during the tests. Results The three conditioning stimuli all induced significant increases in negative PANAS scores (paired t-test, P ≤0.016). Compared with baseline, the increases were in a near dose-dependent manner during visual and auditory conditioning stimulation. No significant effects of any single conditioning stimuli were observed on trigeminal thermal sensitivity (P ≥0.051) or arousal parameters (P ≥0.057). The effects of combined conditioning stimuli on subjective ratings (P ≤0.038) and negative affect (P = 0.011) were stronger than those of single stimuli. Conclusions All three conditioning stimuli provided a simple way to evoke a negative affective state without physical arousal or influence on trigeminal thermal sensitivity. Multisensory conditioning had stronger effects but also failed to modulate thermal sensitivity, suggesting that so-called exogenous trigger stimuli e.g. bright light, noise, unpleasant taste in patients with migraine may require a predisposed or sensitized nervous

  11. Pronounced negative thermal expansion from a simple structure : Cubic ScF{sub 3}.

    SciTech Connect

    Greve, B. K.; Martin, K. L.; Lee, P. L.; Chupas, P. J.; Chapman, K. W.; Wilkinson, A. P.; X-Ray Science Division; Georgia Inst. of Tech.

    2010-10-19

    Scandium trifluoride maintains a cubic ReO{sub 3} type structure down to at least 10 K, although the pressure at which its cubic to rhombohedral phase transition occurs drops from >0.5 GPa at {approx}300 K to 0.1-0.2 GPa at 50 K. At low temperatures it shows strong negative thermal expansion (NTE) (60-110 K, {alpha}{sub l} {approx} -14 ppm K{sup -1}). On heating, its coefficient of thermal expansion (CTE) smoothly increases, leading to a room temperature CTE that is similar to that of ZrW{sub 2}O{sub 8} and positive thermal expansion above {approx}1100 K. While the cubic ReO{sub 3} structure type is often used as a simple illustration of how negative thermal expansion can arise from the thermally induced rocking of rigid structural units, ScF{sub 3} is the first material with this structure to provide a clear experimental illustration of this mechanism for NTE.

  12. Negative thermal expansion properties in tetragonal NbPO5 from the first principles studies

    NASA Astrophysics Data System (ADS)

    Li, Tao; Fu, Xiaonan; Chang, Dahu; Sun, Qiang; Wang, Fei

    2017-03-01

    By using the first-principles calculations based on density functional theory combined with quasi-harmonic approximation, we have studied the geometric structural, thermal properties, and the negative thermal expansion (NTE) properties of tetrahedral NbPO5. The variations of cell parameter and cell volume of tetrahedral NbPO5 with temperature show that it displays NTE behavior in the range of 473-800 K along a-axis and the corresponding average coefficient of thermal expansion (CTE) is approximately -0.766 ×10-6 K-1, while the c cell parameter and the cell volume display positive thermal expansion behaviors. These results are in consistent well with the experiment observations. Further vibrational modes analysis, together with Grüneisen parameters calculations, revealed that the transverse vibration of O corner atoms accompanying the rocking motions of corner-shared NbO6 octahedron and PO4 tetrahedron dominate the negative thermal properties of tetrahedral NbPO5. Our findings will provide an understanding for the underlying mechanisms of the NTE in oxides materials.

  13. Sound velocity of high-strength polymer with negative thermal expansion coefficient

    NASA Astrophysics Data System (ADS)

    Nomura, R.; Ueno, M.; Okuda, Y.; Burmistrov, S.; Yamanaka, A.

    2003-05-01

    Sound velocities of fiber reinforced plastics (FRPs) were measured along the fiber axis at temperatures between 360 and 77 K. We used two kinds of the high-strength crystalline polymer fibers, polyethylene (Dyneema) and polybenzobisoxazole (Zylon), which have negative thermal expansion coefficients. They also have high thermal conductivities and high resistances for flash over voltage, and are expected as new materials for coil bobbins or spacers at cryogenic temperatures. They have very large sound velocities of about 9000 (m/s) at 77 K, which are 4.5 times larger than that of the ordinary polyethylene fiber.

  14. Validity of Saha's equation of thermal ionization for negatively charged spherical particles in complex plasmas in thermal equilibrium

    SciTech Connect

    Sodha, M. S.; Mishra, S. K.

    2011-04-15

    The authors have discussed the validity of Saha's equation for the charging of negatively charged spherical particles in a complex plasma in thermal equilibrium, even when the tunneling of the electrons, through the potential energy barrier surrounding the particle is considered. It is seen that the validity requires the probability of tunneling of an electron through the potential energy barrier surrounding the particle to be independent of the direction (inside to outside and vice versa) or in other words the Born's approximation should be valid.

  15. The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology.

    PubMed

    Carey, Thomas; Corma, Avelino; Rey, Fernando; Tang, Chiu C; Hriljac, Joseph A; Anderson, Paul A

    2012-06-14

    X-Ray powder diffraction studies have been used to measure the thermal expansion properties of three zeolites with the LTA topology and provide details of the underlying structural changes. Siliceous ITQ-29 and dehydrated and hydrated silver zeolite A have large negative, moderate negative and positive thermal expansion coefficients, respectively.

  16. Classical, quantum, and thermodynamics of a lattice model exhibiting structural negative thermal expansion

    NASA Astrophysics Data System (ADS)

    Occhialini, Connor A.; Handunkanda, Sahan U.; Curry, Erin B.; Hancock, Jason N.

    2017-03-01

    We consider in detail a simple model supporting a single floppy mode that is often used to heuristically describe instances of negative thermal expansion. A key result is that the translational kinetic energy of the dilating bond network scales extensively with system size and results in dynamical properties which differ qualitatively from considerations built upon harmonic models. We develop an analogy between the dynamics of this model and a modified mechanical pendulum to elucidate the connection between the new results and the familiar harmonic limit. We then propose an appropriate Schrödinger equation for this system and study numerically the quantum mechanical solutions. Marked differences from conventional phonon dynamics and thermodynamics are seen in both classical and quantum limits, in particular a strong twofold enhancement of the (negative) coefficient of thermal expansion. We contextualize the results against real material parameters and discuss related empirical observations.

  17. Negative Linear Compressibility and Massive Anisotropic Thermal Expansion in Methanol Monohydrate

    NASA Astrophysics Data System (ADS)

    Fortes, A. Dominic; Suard, Emmanuelle; Knight, Kevin S.

    2011-02-01

    The vast majority of materials shrink in all directions when hydrostatically compressed; exceptions include certain metallic or polymer foam structures, which may exhibit negative linear compressibility (NLC) (that is, they expand in one or more directions under hydrostatic compression). Materials that exhibit this property at the molecular level—crystalline solids with intrinsic NLC—are extremely uncommon. With the use of neutron powder diffraction, we have discovered and characterized both NLC and extremely anisotropic thermal expansion, including negative thermal expansion (NTE) along the NLC axis, in a simple molecular crystal (the deuterated 1:1 compound of methanol and water). Apically linked rhombuses, which are formed by the bridging of hydroxyl-water chains with methyl groups, extend along the axis of NLC/NTE and lead to the observed behavior.

  18. The isotropic Hamiltonian formalism

    SciTech Connect

    Vaisman, Izu

    2011-02-10

    A Hamiltonian formalism is a procedure that allows to associate a dynamical system to a function and that includes classical Hamiltonian mechanics as a particular case. The present, expository paper gives a survey of the Hamiltonian formalism defined by an isotropic subbundle of TM+T*M, in particular, by a Dirac structure. We discuss reduction and geometric quantization of the Hamiltonian dynamical systems provided by this formalism.

  19. Negative thermal expansion and anomalies of heat capacity of LuB50 at low temperatures.

    PubMed

    Novikov, V V; Zhemoedov, N A; Matovnikov, A V; Mitroshenkov, N V; Kuznetsov, S V; Bud'ko, S L

    2015-09-28

    Heat capacity and thermal expansion of LuB50 boride were experimentally studied in the 2-300 K temperature range. The data reveal an anomalous contribution to the heat capacity at low temperatures. The value of this contribution is proportional to the first degree of temperature. It was identified that this anomaly in heat capacity is caused by the effect of disorder in the LuB50 crystalline structure and it can be described in the soft atomic potential model (SAP). The parameters of the approximation were determined. The temperature dependence of LuB50 heat capacity in the whole temperature range was approximated by the sum of SAP contribution, Debye and two Einstein components. The parameters of SAP contribution for LuB50 were compared to the corresponding values for LuB66, which was studied earlier. Negative thermal expansion at low temperatures was experimentally observed for LuB50. The analysis of the experimental temperature dependence for the Gruneisen parameter of LuB50 suggested that the low-frequency oscillations, described in SAP mode, are responsible for the negative thermal expansion. Thus, the glasslike character of the behavior of LuB50 thermal characteristics at low temperatures was confirmed.

  20. Negative thermal expansion and anomalies of heat capacity of LuB50 at low temperatures

    DOE PAGES

    Novikov, V. V.; Zhemoedov, N. A.; Matovnikov, A. V.; ...

    2015-07-20

    Heat capacity and thermal expansion of LuB50 boride were experimentally studied in the 2–300 K temperature range. The data reveal an anomalous contribution to the heat capacity at low temperatures. The value of this contribution is proportional to the first degree of temperature. It was identified that this anomaly in heat capacity is caused by the effect of disorder in the LuB50 crystalline structure and it can be described in the soft atomic potential model (SAP). The parameters of the approximation were determined. The temperature dependence of LuB50 heat capacity in the whole temperature range was approximated by the summore » of SAP contribution, Debye and two Einstein components. The parameters of SAP contribution for LuB50 were compared to the corresponding values for LuB66, which was studied earlier. Negative thermal expansion at low temperatures was experimentally observed for LuB50. The analysis of the experimental temperature dependence for the Gruneisen parameter of LuB50 suggested that the low-frequency oscillations, described in SAP mode, are responsible for the negative thermal expansion. As a result, the glasslike character of the behavior of LuB50 thermal characteristics at low temperatures was confirmed.« less

  1. Two-level systems and negative thermal expansion of lutetium borides

    NASA Astrophysics Data System (ADS)

    Novikov, V. V.; Mitroshenkov, N. V.; Kornev, B. I.; Matovnikov, A. V.

    2017-05-01

    The heat capacity Cv(T) and unit cell volume V(T) temperature dependencies of lutetium borides LuB2 and LuB4 in the region of 2-300 K were analysed in the Debye-Einstein approximation. The characteristic temperatures of the Debye and Einstein components of boride heat capacity and thermal expansion were found. The anomalous contribution to the borides' thermal characteristics was revealed. This contribution was attributed to the influence of two-level systems (TLS), formed in the subsystem of lutetium ions due to asymmetry in the way they are surrounded by the boron atoms in the boride crystal structure. The TLS influence is revealed on heat capacity temperature dependencies by the Schottky-type maxima at Tmax LuB2 =13.8 K, Tmax LuB4 =22.7 K, as well as by the negative contribution to the borides' thermal expansion. The borides' Grüneisen parameters corresponding to the heat capacity and thermal expansion TLS anomalies are negative, and amount to several 10 s of units.

  2. Linearly Forced Isotropic Turbulence

    NASA Technical Reports Server (NTRS)

    Lundgren, T. S.

    2003-01-01

    Stationary isotropic turbulence is often studied numerically by adding a forcing term to the Navier-Stokes equation. This is usually done for the purpose of achieving higher Reynolds number and longer statistics than is possible for isotropic decaying turbulence. It is generally accepted that forcing the Navier-Stokes equation at low wave number does not influence the small scale statistics of the flow provided that there is wide separation between the largest and smallest scales. It will be shown, however, that the spectral width of the forcing has a noticeable effect on inertial range statistics. A case will be made here for using a broader form of forcing in order to compare computed isotropic stationary turbulence with (decaying) grid turbulence. It is shown that using a forcing function which is directly proportional to the velocity has physical meaning and gives results which are closer to both homogeneous and non-homogeneous turbulence. Section 1 presents a four part series of motivations for linear forcing. Section 2 puts linear forcing to a numerical test with a pseudospectral computation.

  3. Negative thermal expansion in crystals with the zincblende structure: an EXAFS study of CdTe.

    PubMed

    Abd el All, N; Dalba, G; Diop, D; Fornasini, P; Grisenti, R; Mathon, O; Rocca, F; Thiodjio Sendja, B; Vaccari, M

    2012-03-21

    The extended x-ray absorption fine structure (EXAFS) has been measured at both the K edges of cadmium and tellurium in CdTe, from liquid helium to room temperature, in order to investigate the local thermodynamic behaviour. The temperature dependences of the structural parameters obtained from the separate analysis of the two edges are perfectly consistent. The positive contribution to the thermal expansion due to the bond stretching and the negative contribution due to the tension effects are disentangled and quantified in terms of the bond thermal expansion and the perpendicular mean square relative displacement. The comparison with previous EXAFS results for Ge and CuCl shows that relevant correlations can be established between a number of local parameters measured by means of EXAFS and the properties of the lattice negative thermal expansion of tetrahedrally bonded semiconductors. The effective force constants derived from the EXAFS are compared with the force constants of a valence force field model. © 2012 IOP Publishing Ltd

  4. Phase transformation and negative thermal expansion in TaVO5.

    PubMed

    Wang, Xiaowei; Huang, Qingzhen; Deng, Jinxia; Yu, Ranbo; Chen, Jun; Xing, Xianran

    2011-03-21

    Two phase transformations of TaVO(5) were observed by DSC and/or dilatometry measurements in the studied temperature range. X-ray diffraction and neutron powder diffraction structure refinements indicated a phase transformation at -14 °C from a monoclinic symmetry with space group P2(1)/c to an orthorhombic symmetry with space group Pnma above this temperature. The rigid TaO(6) octahedron in orthorhombic phase becomes nonregular at -14 °C, which results in the transition from Pnma to P2(1)/c. TaVO(5) was found to be a negative thermal expansion material above room temperature. The calculated volumetric thermal expansion coefficients (TECs) are -8.92 × 10(-6) °C(-1) in the range of 20-600 °C, and -2.19 × 10(-5) °C(-1) above 600 °C, respectively. The negative thermal expansion behavior is accounted for by the tilt of the TaO(6) and VO(4) polyhedra, where the shrinkage of the VO(4) tetrahedra result in the increase of Ta-O-V angles on heating, while the angle of Ta-O1-Ta maintains at 180° in the framework.

  5. First-principles study on negative thermal expansion of PbTiO3

    NASA Astrophysics Data System (ADS)

    Wang, Fangfang; Xie, Ying; Chen, Jun; Fu, Honggang; Xing, Xianran

    2013-11-01

    It is well known that perovskite-type PbTiO3 behaves negative thermal expansion in a wide temperature range from room temperature to Curie temperature (763 K). The present study reports the first-principles study of the anisotropic thermal expansion of PbTiO3, in the framework of the density-functional theory and the density-functional perturbation theory. The curve of temperature dependence of the unit cell volume is presented from 20 to 520 K through the calculation of the minimum of total free energy at each temperature point. The negative thermal expansion of PbTiO3 is calculated without empirical parameters. Furthermore, the distinctive thermodynamic act of PbTiO3 from expanding to contracting at tetragonal phase is reproduced. The ab-initio calculations reveal that this unique appearance depends on the phonon vibration. The dynamical contributions of various atoms are also calculated to account for the disparate role of Pb-O and Ti-O bond.

  6. First-principles study on negative thermal expansion of PbTiO{sub 3}

    SciTech Connect

    Wang, Fangfang; Chen, Jun; Xing, Xianran; Xie, Ying; Fu, Honggang

    2013-11-25

    It is well known that perovskite-type PbTiO{sub 3} behaves negative thermal expansion in a wide temperature range from room temperature to Curie temperature (763 K). The present study reports the first-principles study of the anisotropic thermal expansion of PbTiO{sub 3}, in the framework of the density-functional theory and the density-functional perturbation theory. The curve of temperature dependence of the unit cell volume is presented from 20 to 520 K through the calculation of the minimum of total free energy at each temperature point. The negative thermal expansion of PbTiO{sub 3} is calculated without empirical parameters. Furthermore, the distinctive thermodynamic act of PbTiO{sub 3} from expanding to contracting at tetragonal phase is reproduced. The ab-initio calculations reveal that this unique appearance depends on the phonon vibration. The dynamical contributions of various atoms are also calculated to account for the disparate role of Pb-O and Ti-O bond.

  7. Isotropically polarized speckle patterns.

    PubMed

    Schmidt, Mikolaj K; Aizpurua, Javier; Zambrana-Puyalto, Xavier; Vidal, Xavier; Molina-Terriza, Gabriel; Sáenz, Juan José

    2015-03-20

    The polarization of the light scattered by an optically dense and random solution of dielectric nanoparticles shows peculiar properties when the scatterers exhibit strong electric and magnetic polarizabilities. While the distribution of the scattering intensity in these systems shows the typical irregular speckle patterns, the helicity of the incident light can be fully conserved when the electric and magnetic polarizabilities of the scatterers are equal. We show that the multiple scattering of helical beams by a random dispersion of "dual" dipolar nanospheres leads to a speckle pattern exhibiting a perfect isotropic constant polarization, a situation that could be useful in coherent control of light as well as in lasing in random media.

  8. Negative thermal expansion in Th{sub 2}O(PO{sub 4}){sub 2}

    SciTech Connect

    Wallez, Gilles; Clavier, Nicolas; Dacheux, Nicolas

    2011-11-15

    Highlights: {yields} Dithorium oxide phosphate shows a continuous negative thermal expansion over a 600 {sup o}C range. {yields} Negative expansion arises from oxygen rocking and cations repulsions. {yields} Big and high-charge thorium IV appears ideal for generating negative expansion. -- Abstract: High temperature X ray diffraction performed on recently discovered orthorhombic Th{sub 2}O(PO{sub 4}){sub 2} shows a continuous linear thermal contraction (-1.6 x 10{sup -6} {sup o}C{sup -1}) in 20-600 {sup o}C range and a near-zero expansion at higher temperatures resulting from a dual structural deformation involving oxygen oscillations and inter-cations repulsions. Although similar mechanisms were observed in isotypic Zr{sub 2}O(PO{sub 4}){sub 2} (+1.5 x 10{sup -6} {sup o}C{sup -1}) and U{sub 2}O(PO{sub 4}){sub 2} (-1.4 x 10{sup -6} {sup o}C{sup -1}), those observed in Th{sub 2}O(PO{sub 4}){sub 2} are particularly intense because of the high ionic radius of tetravalent thorium.

  9. Negative thermal quenching of below-bandgap photoluminescence in InPBi

    NASA Astrophysics Data System (ADS)

    Chen, Xiren; Wu, Xiaoyan; Yue, Li; Zhu, Liangqing; Pan, Wenwu; Qi, Zhen; Wang, Shumin; Shao, Jun

    2017-01-01

    This paper reports a temperature-dependent (10-280 K) photoluminescence (PL) study of below-bandgap electron-hole recombinations and anomalous negative thermal quenching of PL intensity in InP1-xBix (x = 0.019 and 0.023). Four PL features are well resolved by curve-fitting of the PL spectra, of which the energies exhibit different temperature dependence. The integral intensities of the two high-energy features diminish monotonically as temperature rises up, while those of the two low-energy features decrease below but increase anomalously above 180 K. A phenomenological model is established that the residual electrons in the final state of the PL transition transfer into nonradiative state via thermal hopping, and the thermal hopping produces in parallel holes in the final state and hence enhances the radiative recombination significantly. A reasonable interpretation of the PL processes in InPBi is achieved, and the activation energies of the PL quenching and thermal hopping are deduced.

  10. Influence of processing conditions on the thermal and mechanical properties of SU8 negative photoresist coatings

    NASA Astrophysics Data System (ADS)

    Feng, Ru; Farris, Richard J.

    2003-01-01

    The thermal and mechanical properties of a new negative photoresist, SU8, were characterized. The influence of curing conditions, such as baking temperature, baking time and UV dosage, on the thermal and mechanical properties of the resultant coatings was studied in detail. It was found that the glass-transition temperature (Tg) of the coatings was coincident with the baking temperature over the temperature range of 25 °C-220 °C for coatings being baked for just 20 min. However, the Tg reached a limiting value (about 240 °C) once the cross-linking reaction was complete, and would not increase further with the baking temperature. The peak temperature of the dimension versus temperature plots, where heat shrinkage occurred, was about a factor of 1.16 times higher than the baking temperature for the temperature range studied. Both the Tg and the shrinkage temperature were affected by the baking time. The thermal expansion coefficients (TEC), including the volumetric TEC (alphav), the in-plane TEC (alpha1) and the out-of-plane TEC (alpha2), were measured by a pressure-volume-temperature (PVT) apparatus and thermal-mechanical analyzer (TMA). Great residual stress could be generated during the process, and the change in residual stress with the environmental humidity was investigated using vibrational holographic interferometry.

  11. Constitutive modeling for isotropic materials

    NASA Technical Reports Server (NTRS)

    Chan, K. S.; Lindholm, U. S.; Bodner, S. R.

    1988-01-01

    The third and fourth years of a 4-year research program, part of the NASA HOST Program, are described. The program goals were: (1) to develop and validate unified constitutive models for isotropic materials, and (2) to demonstrate their usefulness for structural analysis of hot section components of gas turbine engines. The unified models selected for development and evaluation were those of Bodner-Partom and of Walker. The unified approach for elastic-viscoplastic constitutive equations is a viable method for representing and predicting material response characteristics in the range where strain rate and temperature dependent inelastic deformations are experienced. This conclusion is reached by extensive comparison of model calculations against the experimental results of a test program of two high temperature Ni-base alloys, B1900+Hf and Mar-M247, over a wide temperature range for a variety of deformation and thermal histories including uniaxial, multiaxial, and thermomechanical loading paths. The applicability of the Bodner-Partom and the Walker models for structural applications has been demonstrated by implementing these models into the MARC finite element code and by performing a number of analyses including thermomechanical histories on components of hot sections of gas turbine engines and benchmark notch tensile specimens. The results of the 4-year program have been published in four annual reports. The results of the base program are summarized in this report. The tasks covered include: (1) development of material test procedures, (2) thermal history effects, and (3) verification of the constitutive model for an alternative material.

  12. Two-dimensional nanoscale correlations in the strong negative thermal expansion material ScF3

    SciTech Connect

    Handunkanda, Sahan Uddika; Said, Ayman H.; Occhialini, Connor A.; Hancock, Jason N.

    2016-12-07

    We present diffuse x-ray scattering data on the strong negative thermal expansion (NTE) material ScF3 and find that two-dimensional nanoscale correlations exist at momentum-space regions associated with possibly rigid rotations of the perovskite octahedra. We address the extent to which rigid octahedral motion describes the dynamical fluctuations behind NTE by generalizing a simple model supporting a single floppy mode that is often used to heuristically describe instances of NTE. We find this model has tendencies toward dynamic inhomogeneities and its application to recent and existing experimental data suggest an intricate link between the nanometer correlation length scale, the energy scale for octahedral tilt fluctuations, and the coefficient of thermal expansion in ScF3. We then investigate the breakdown of the rigid limit and propose a resolution to an outstanding debate concerning the role of molecular rigidity in strong NTE materials.

  13. Uniaxial Negative Thermal Expansion and Mechanical Properties of a Zinc-Formate Framework

    PubMed Central

    Gao, Hongqiang; Wei, Wenjuan; Li, Yizhang; Wu, Rong; Feng, Guoqiang; Li, Wei

    2017-01-01

    The thermal expansion behavior of a metal-formate framework, Zn(HCOO)2·2(H2O) (1), has been systematically studied via variable temperature single-crystal X-ray diffraction. Our results demonstrate that this formate exhibits significant negative thermal expansion (NTE, −26(2) MK−1) along its c-axis. Detailed structural analyses reveal that the large NTE response is attributed to the ‘hinge-strut’ like framework motion. In addition, the fundamental mechanical properties of framework 1 have been explored via nanoindentation experiments. The measured elastic modulus and hardness properties on the (00-2)/(100)/(110) facets are 35.5/35.0/27.1 and 2.04/1.83/0.47 GPa, respectively. The stiffness and hardness anisotropy can be correlated well with the underlying framework structure, like its thermoelastic behavior. PMID:28772512

  14. Uniaxial Negative Thermal Expansion and Mechanical Properties of a Zinc-Formate Framework.

    PubMed

    Gao, Hongqiang; Wei, Wenjuan; Li, Yizhang; Wu, Rong; Feng, Guoqiang; Li, Wei

    2017-02-10

    The thermal expansion behavior of a metal-formate framework, Zn(HCOO)₂·2(H₂O) (1), has been systematically studied via variable temperature single-crystal X-ray diffraction. Our results demonstrate that this formate exhibits significant negative thermal expansion (NTE, -26(2) MK(-1)) along its c-axis. Detailed structural analyses reveal that the large NTE response is attributed to the 'hinge-strut' like framework motion. In addition, the fundamental mechanical properties of framework 1 have been explored via nanoindentation experiments. The measured elastic modulus and hardness properties on the (00-2)/(100)/(110) facets are 35.5/35.0/27.1 and 2.04/1.83/0.47 GPa, respectively. The stiffness and hardness anisotropy can be correlated well with the underlying framework structure, like its thermoelastic behavior.

  15. Ground-state splitting of ultrashallow thermal donors with negative central-cell corrections in silicon

    NASA Astrophysics Data System (ADS)

    Hara, Akito; Awano, Teruyoshi

    2017-06-01

    Ultrashallow thermal donors (USTDs), which consist of light element impurities such as carbon, hydrogen, and oxygen, have been found in Czochralski silicon (CZ Si) crystals. To the best of our knowledge, these are the shallowest hydrogen-like donors with negative central-cell corrections in Si. We observed the ground-state splitting of USTDs by far-infrared optical absorption at different temperatures. The upper ground-state levels are approximately 4 meV higher than the ground-state levels. This energy level splitting is also consistent with that obtained by thermal excitation from the ground state to the upper ground state. This is direct evidence that the wave function of the USTD ground state is made up of a linear combination of conduction band minimums.

  16. Large magnetostriction and negative thermal expansion in the frustrated antiferromagnet ZnCr2Se4.

    PubMed

    Hemberger, J; von Nidda, H-A Krug; Tsurkan, V; Loidl, A

    2007-04-06

    A detailed investigation of ZnCr2Se4 is presented which is dominated by strong ferromagnetic exchange but orders antiferromagnetically at TN=21 K. Specific heat and thermal expansion exhibit sharp first-order anomalies at the antiferromagnetic transition. TN is shifted to lower temperatures by external magnetic fields and finally is fully suppressed by a field of 65 kOe. The relative length change DeltaL/L(T) is unusually large and exhibits negative thermal expansion alpha below 75 K down to TN indicating strong frustration of the lattice. Magnetostriction DeltaL/L(H) reveals large values comparable to giant magnetostrictive materials. These results point to a spin-driven origin of the structural instability at TN explained in terms of competing ferromagnetic and antiferromagnetic exchange interactions.

  17. Two-dimensional nanoscale correlations in the strong negative thermal expansion material ScF3

    NASA Astrophysics Data System (ADS)

    Handunkanda, Sahan U.; Occhialini, Connor A.; Said, Ayman H.; Hancock, Jason N.

    2016-12-01

    We present diffuse x-ray scattering data on the strong negative thermal expansion (NTE) material ScF3 and find that two-dimensional nanoscale correlations exist at momentum-space regions associated with possibly rigid rotations of the perovskite octahedra. We address the extent to which rigid octahedral motion describes the dynamical fluctuations behind NTE by generalizing a simple model supporting a single floppy mode that is often used to heuristically describe instances of NTE. We find this model has tendencies toward dynamic inhomogeneities and its application to recent and existing experimental data suggest an intricate link between the nanometer correlation length scale, the energy scale for octahedral tilt fluctuations, and the coefficient of thermal expansion in ScF3. We then investigate the breakdown of the rigid limit and propose a resolution to an outstanding debate concerning the role of molecular rigidity in strong NTE materials.

  18. Novel Materials through Non-Hydrolytic Sol-Gel Processing: Negative Thermal Expansion Oxides and Beyond

    PubMed Central

    Lind, Cora; Gates, Stacy D.; Pedoussaut, Nathalie M.; Baiz, Tamam I.

    2010-01-01

    Low temperature methods have been applied to the synthesis of many advanced materials. Non-hydrolytic sol-gel (NHSG) processes offer an elegant route to stable and metastable phases at low temperatures. Excellent atomic level homogeneity gives access to polymorphs that are difficult or impossible to obtain by other methods. The NHSG approach is most commonly applied to the preparation of metal oxides, but can be easily extended to metal sulfides. Exploration of experimental variables allows control over product stoichiometry and crystal structure. This paper reviews the application of NHSG chemistry to the synthesis of negative thermal expansion oxides and selected metal sulfides.

  19. Ultrafast laser-induced negative-index fiber Bragg gratings with enhanced thermal stability

    NASA Astrophysics Data System (ADS)

    He, Jun; Liao, Changrui; Yang, Kaiming; Wang, Yiping

    2017-04-01

    Negative-index fiber Bragg gratings (FBGs) were fabricated using 800 nm femtosecond laser overexposure and thermal regeneration. A positive-index type I-IR FBG was first inscribed in H2-free fiber with a uniform phase mask, and then a highly polarization dependent phase-shifted FBG (PSFBG) was created from the type I-IR FBG by overexposure. Subsequently, the PSFBG was annealed at 800 °C for 12 hours. A negative-index FBG was obtained with a reflectivity of 99.22%, an insertion loss of 0.08 dB, a blue-shift of 0.83 nm, and an operating temperature of up to 1000 °C.

  20. Negative thermal expansion in silicalite-1 and zirconium silicalite-1 having MFI structure

    SciTech Connect

    Bhange, D.S.; Ramaswamy, Veda . E-mail: v.ramaswamy@ncl.res.in

    2006-07-13

    In situ high temperature X-ray diffraction (HTXRD) studies on monoclinic silicalite-1 (S-1, silica polymorph of ZSM-5) and an orthorhombic metallosilicate molecular sieve, zirconium silicalite-1 (ZrS-1) with MFI structure (Si/Zr = 50) have been carried out using a laboratory X-ray diffractometer with an Anton Parr HTK 1600 attachment. While the structure of the S-1 collapsed at 1123 K forming {alpha}-cristobalite. S-1 and ZrS-1 showed a complex thermal expansion behavior in the temperature range 298-1023 K, ZrS-1 was stable. Powder X-ray diffraction (PXRD) data taken in this region have shown strong negative lattice thermal expansion coefficient, {alpha} {sub V} = -6.75 x 10{sup -6} and -17.92 x 10{sup -6} K{sup -1} in the temperature range 298-1023 K{sup -1} for S-1 and ZrS-1 samples, respectively. The thermal expansion behavior of S-1 and ZrS-1 is anisotropic, with the relative strength of contraction along a axis is more than that along b and c axes. Three different thermal expansion regions could be identified in the overall temperature range (298-1023 K) studied, corroborating with the three steps of weight loss in the TG curve of ZrS-1 sample. While the region between 298 and 423 K, displays positive thermal expansion coefficient with {alpha} {sub V} = 2.647 x 10{sup -6} and 4.24 x 10{sup -6} K{sup -1}, the second region between 423 and 873 K shows strong negative thermal expansion (NTE) coefficient {alpha} {sub V} = -7.602 x 10{sup -6} and -15.04 x 10{sup -6} K{sup -1}, respectively, for S-1 and ZrS-1 samples. The region between 873 and 1023 K, shows a very strong NTE coefficient with {alpha} {sub V} = -12.08 x 10{sup -6} and -45.622 x 10{sup -6} K{sup -1} for S-1 and ZrS-1, respectively, which is the highest in the whole temperature range studied. NTE seen over a temperature range 298-1023 K could be associated with transverse vibrations of bridging oxygen atoms in the structure which results in an apparent shortening of the Si-O distances.

  1. Exploring the thermal expansion of fluorides and oxyfluorides with rhenium trioxide-type structures: From negative to positive thermal expansion

    NASA Astrophysics Data System (ADS)

    Greve, Benjamin K.

    This thesis explores the thermal expansion and high pressure behavior of some materials with the ReO3 structure type. This structure is simple and has, in principle, all of the features necessary for negative thermal expansion (NTE) arising from the transverse thermal motion of the bridging anions and the coupled rotation of rigid units; however, ReO 3 itself only exhibits mild NTE across a narrow temperature range at low temperatures. ReO3 is metallic because of a delocalized d-electron, and this may contribute to the lack of NTE in this material. The materials examined in this thesis are all based on d 0 metal ions so that the observed thermal expansion behavior should arise from vibrational, rather than electronic, effects. In Chapter 2, the thermal expansion of scandium fluoride, ScF3 , is examined using a combination of in situ synchrotron X-ray and neutron variable temperature diffraction. ScF3 retains the cubic ReO3 structure across the entire temperature range examined (10 - 1600 K) and exhibits pronounced negative thermal expansion at low temperatures. The magnitude of NTE in this material is comparable to that of cubic ZrW2O8, which is perhaps the most widely studied NTE material, at room temperature and below. This is the first report of NTE in an ReO3 type structure across a wide temperature range. Chapter 3 presents a comparison between titanium oxyfluoride, TiOF 2, and a vacancy-containing titanium hydroxyoxyfluoride, Ti x(O/OH/F)3. TiOF2 was originally reported to adopt the cubic ReO3 structure type under ambient conditions, therefore the initial goal for this study was to examine the thermal expansion of this material and determine if it displayed interesting behavior such as NTE. During the course of the study, it was discovered that the original synthetic method resulted in Tix(O/OH/F)3, which does adopt the cubic ReO3 structure type. The chemical composition of the hydroxyoxyfluoride is highly dependent upon synthesis conditions and subsequent

  2. Asymmetric and Negative Differential Thermal Spin Effect at Magnetic Interfaces: Towards Spin Seebeck Diodes and Transistors

    NASA Astrophysics Data System (ADS)

    Ren, Jie; Zhu, Jian-Xin

    2014-03-01

    We study the nonequilibrium thermal-spin transport across metal-magnetic insulator interfaces. The transport is assisted by the exchange interaction between conduction electrons in the metal and localized spins in the magnetic insulator. We predict the rectification and negative differential spin Seebeck effect (SSE), that is, reversing the temperature bias is able to give asymmetric spin currents and increasing temperature bias could give an anomalously decreasing spin current. We resolve their microscopic mechanism as a consequence of the energy-dependent electronic DOS in the metal. The rectification of spin Peltier effect is also discussed. We then study the asymmetric and negative differential magnon tunneling driven by temperature bias. We show that the many-body magnon interaction that makes the magnonic spectrum temperature-dependent is the crucial factor for the emergence of rectification and negative differential SSEs in magnon tunneling junctions. We show that these asymmetric and negative differential SSEs are relevant for building magnon and spin Seebeck diodes and transistors, which could play important roles in controlling information and energy in functional devices. Supported by the National Nuclear Security Administration of the US DOE at LANL under Contract No. DE-AC52-06NA25396.

  3. A phenomenological expression to describe the temperature dependence of pressure-induced softening in negative thermal expansion materials.

    PubMed

    Fang, Hong; Dove, Martin T

    2014-03-19

    By exploring a simple model of a negative thermal expansion (NTE) system, we introduce a phenomenological expression to describe the temperature dependence of the pressure-induced softening in NTE structures.

  4. Effectively control negative thermal expansion of single-phase ferroelectrics of PbTiO3-(Bi,La)FeO3 over a giant range.

    PubMed

    Chen, Jun; Wang, Fangfang; Huang, Qingzhen; Hu, Lei; Song, Xiping; Deng, Jinxia; Yu, Ranbo; Xing, Xianran

    2013-01-01

    Control of negative thermal expansion is a fundamentally interesting topic in the negative thermal expansion materials in order for the future applications. However, it is a challenge to control the negative thermal expansion in individual pure materials over a large scale. Here, we report an effective way to control the coefficient of thermal expansion from a giant negative to a near zero thermal expansion by means of adjusting the spontaneous volume ferroelectrostriction (SVFS) in the system of PbTiO3-(Bi,La)FeO3 ferroelectrics. The adjustable range of thermal expansion contains most negative thermal expansion materials. The abnormal property of negative or zero thermal expansion previously observed in ferroelectrics is well understood according to the present new concept of spontaneous volume ferroelectrostriction. The present studies could be useful to control of thermal expansion of ferroelectrics, and could be extended to multiferroic materials whose properties of both ferroelectricity and magnetism are coupled with thermal expansion.

  5. Effectively control negative thermal expansion of single-phase ferroelectrics of PbTiO3-(Bi,La)FeO3 over a giant range

    PubMed Central

    Chen, Jun; Wang, Fangfang; Huang, Qingzhen; Hu, Lei; Song, Xiping; Deng, Jinxia; Yu, Ranbo; Xing, Xianran

    2013-01-01

    Control of negative thermal expansion is a fundamentally interesting topic in the negative thermal expansion materials in order for the future applications. However, it is a challenge to control the negative thermal expansion in individual pure materials over a large scale. Here, we report an effective way to control the coefficient of thermal expansion from a giant negative to a near zero thermal expansion by means of adjusting the spontaneous volume ferroelectrostriction (SVFS) in the system of PbTiO3-(Bi,La)FeO3 ferroelectrics. The adjustable range of thermal expansion contains most negative thermal expansion materials. The abnormal property of negative or zero thermal expansion previously observed in ferroelectrics is well understood according to the present new concept of spontaneous volume ferroelectrostriction. The present studies could be useful to control of thermal expansion of ferroelectrics, and could be extended to multiferroic materials whose properties of both ferroelectricity and magnetism are coupled with thermal expansion. PMID:23949238

  6. Effectively control negative thermal expansion of single-phase ferroelectrics of PbTiO3-(Bi,La)FeO3 over a giant range

    NASA Astrophysics Data System (ADS)

    Chen, Jun; Wang, Fangfang; Huang, Qingzhen; Hu, Lei; Song, Xiping; Deng, Jinxia; Yu, Ranbo; Xing, Xianran

    2013-08-01

    Control of negative thermal expansion is a fundamentally interesting topic in the negative thermal expansion materials in order for the future applications. However, it is a challenge to control the negative thermal expansion in individual pure materials over a large scale. Here, we report an effective way to control the coefficient of thermal expansion from a giant negative to a near zero thermal expansion by means of adjusting the spontaneous volume ferroelectrostriction (SVFS) in the system of PbTiO3-(Bi,La)FeO3 ferroelectrics. The adjustable range of thermal expansion contains most negative thermal expansion materials. The abnormal property of negative or zero thermal expansion previously observed in ferroelectrics is well understood according to the present new concept of spontaneous volume ferroelectrostriction. The present studies could be useful to control of thermal expansion of ferroelectrics, and could be extended to multiferroic materials whose properties of both ferroelectricity and magnetism are coupled with thermal expansion.

  7. Maximizing negative thermal expansion via rigid unit modes: a geometry-based approach.

    PubMed

    Grima, J N; Bajada, M; Scerri, S; Attard, D; Dudek, K K; Gatt, R

    2015-07-08

    Existent rigid unit mode (RUM) models based on rotating squares, which may explain the phenomenon of negative thermal expansion (NTE), are generalized so as to assess the NTE potential for novel systems made from rectangular or rhombic rigid units. Analytical models for the area coefficients of thermal expansion (CTE) of these innovative networks are derived in an attempt to determine the optimal geometrical parameters and connectivity for maximum NTE. It was found that all systems exhibit NTE, the extent of which is determined by the shape and connectivity of the elemental rigid units (side lengths ratio or internal angle). It was also found that some of the networks proposed here should exhibit significantly superior NTE properties when compared with the well-known network of squares, and that for optimal NTE characteristics, pencil-like rigid units should be used rather than square-shaped ones, as these permit larger pore sizes that are more conducive to NTE. All this compliments earlier work on the negative Poisson's ratio (auxetic) potential of such systems and may provide a route for the design of new materials exhibiting superior thermo-mechanical characteristics including specifically tailored CTEs or giant NTE characteristics.

  8. Tunable Negative Thermal Expansion in Layered Perovskites from Quasi-Two-Dimensional Vibrations

    NASA Astrophysics Data System (ADS)

    Huang, Liang-Feng; Lu, Xue-Zeng; Rondinelli, James M.

    2016-09-01

    We identify a quasi-two-dimensional (quasi-2D) phonon mode in the layered-perovskite Ca3Ti2O7, which exhibits an acoustic branch with quadratic dispersion. Using first-principles methods, we show this mode exhibits atomic displacements perpendicular to the layered [CaTiO3]2 blocks comprising the structure and a negative Grüneisen parameter. Owing to these quasi-2D structural and dynamical features, we find that the mode can be utilized to realize unusual membrane effects, including a tunable negative thermal expansion (NTE) and a rare pressure-independent thermal softening of the bulk modulus. Detailed microscopic analysis shows that the NTE relies on strong intralayer Ti—O covalent bonding and weaker interlayer interactions, which is in contrast to conventional NTE mechanisms for perovskites, such as rigid-unit modes, structural transitions, and electronic or magnetic ordering. The general application of the quasi-2D lattice dynamics opens exciting avenues for the control of lattice dynamical and thermodynamic responses of other complex layered compounds through rational chemical substitution, as we show in A3Zr2O7 (A =Ca , Sr), and by heterostructuring.

  9. High thermal stability of core-shell structures dominated by negative interface energy.

    PubMed

    Zhu, Yong-Fu; Zhao, Ning; Jin, Bo; Zhao, Ming; Jiang, Qing

    2017-03-29

    Nanoscale core/shell structures are of interest in catalysis due to their superior catalytic properties. Here we investigated the thermal stability of the coherent core-shell structures in a thermodynamic way by considering the impact from the core with the bulk melting point Tm(∞) lower or higher than the shell. When a low-Tm(∞) core is adopted, core-shell melting induced by the melting depression of the core does not occur upon heating because of the superheating, although the melting depression of the core can be triggered ultimately by the preferential melting of the high-Tm(∞) shell for small cores. The superheating of the core is contributed by the negative solid-solid interface energy, while the depression is originated from the positive solid-liquid interface energy. Owing to the presence of the negative interface energy, moreover, the low-Tm(∞)-core structure possesses a low difference in thermal expansion between the core and the shell, high activation energy of outward atomic diffusion from the core to shell, and low heat capacity. This result is beneficial for the core-shell structure design for its application in catalysis.

  10. Maximizing negative thermal expansion via rigid unit modes: a geometry-based approach

    PubMed Central

    Grima, J. N.; Bajada, M.; Scerri, S.; Attard, D.; Dudek, K. K.; Gatt, R.

    2015-01-01

    Existent rigid unit mode (RUM) models based on rotating squares, which may explain the phenomenon of negative thermal expansion (NTE), are generalized so as to assess the NTE potential for novel systems made from rectangular or rhombic rigid units. Analytical models for the area coefficients of thermal expansion (CTE) of these innovative networks are derived in an attempt to determine the optimal geometrical parameters and connectivity for maximum NTE. It was found that all systems exhibit NTE, the extent of which is determined by the shape and connectivity of the elemental rigid units (side lengths ratio or internal angle). It was also found that some of the networks proposed here should exhibit significantly superior NTE properties when compared with the well-known network of squares, and that for optimal NTE characteristics, pencil-like rigid units should be used rather than square-shaped ones, as these permit larger pore sizes that are more conducive to NTE. All this compliments earlier work on the negative Poisson's ratio (auxetic) potential of such systems and may provide a route for the design of new materials exhibiting superior thermo-mechanical characteristics including specifically tailored CTEs or giant NTE characteristics. PMID:26345087

  11. Tunable Negative Thermal Expansion in Layered Perovskites from Quasi-Two-Dimensional Vibrations.

    PubMed

    Huang, Liang-Feng; Lu, Xue-Zeng; Rondinelli, James M

    2016-09-09

    We identify a quasi-two-dimensional (quasi-2D) phonon mode in the layered-perovskite Ca_{3}Ti_{2}O_{7}, which exhibits an acoustic branch with quadratic dispersion. Using first-principles methods, we show this mode exhibits atomic displacements perpendicular to the layered [CaTiO_{3}]_{2} blocks comprising the structure and a negative Grüneisen parameter. Owing to these quasi-2D structural and dynamical features, we find that the mode can be utilized to realize unusual membrane effects, including a tunable negative thermal expansion (NTE) and a rare pressure-independent thermal softening of the bulk modulus. Detailed microscopic analysis shows that the NTE relies on strong intralayer Ti-O covalent bonding and weaker interlayer interactions, which is in contrast to conventional NTE mechanisms for perovskites, such as rigid-unit modes, structural transitions, and electronic or magnetic ordering. The general application of the quasi-2D lattice dynamics opens exciting avenues for the control of lattice dynamical and thermodynamic responses of other complex layered compounds through rational chemical substitution, as we show in A_{3}Zr_{2}O_{7} (A=Ca, Sr), and by heterostructuring.

  12. Zirconium tungstate/epoxy nanocomposites: effect of nanoparticle morphology and negative thermal expansivity.

    PubMed

    Wu, Hongchao; Rogalski, Mark; Kessler, Michael R

    2013-10-09

    The ability to tailor the coefficient of thermal expansion (CTE) of a polymer is essential for mitigating thermal residual stress and reducing microcracks caused by CTE mismatch of different components in electronic applications. This work studies the effect of morphology and thermal expansivity of zirconium tungstate nanoparticles on the rheological, thermo-mechanical, dynamic-mechanical, and dielectric properties of ZrW2O8/epoxy nanocomposites. Three types of ZrW2O8 nanoparticles were synthesized under different hydrothermal conditions and their distinct properties were characterized, including morphology, particle size, aspect ratio, surface area, and CTE. Nanoparticles with a smaller particle size and larger surface area led to a more significant reduction in gel-time and glass transition temperature of the epoxy nanocomposites, while a higher initial viscosity and significant shear thinning behavior was found in prepolymer suspensions containing ZrW2O8 with larger particle sizes and aspect ratios. The thermo- and dynamic-mechanical properties of epoxy-based nanocomposites improved with increasing loadings of the three types of ZrW2O8 nanoparticles. In addition, the introduced ZrW2O8 nanoparticles did not negatively affect the dielectric constant or the breakdown strength of the epoxy resin, suggesting potential applications of ZrW2O8/epoxy nanocomposites in the microelectronic insulation industry.

  13. Parallel calculations of vibrational properties in complex materials: negative thermal expansion and elastic inhomogeneity

    NASA Astrophysics Data System (ADS)

    Vila, F. D.; Rehr, J. J.

    Effects of thermal vibrations are essential to obtain a more complete understanding of the properties of complex materials. For example, they are important in the analysis and simulation of x-ray absorption spectra (XAS). In previous work we introduced an ab initio approach for a variety of vibrational effects, such as crystallographic and XAS Debye-Waller factors, Debye and Einstein temperatures, and thermal expansion coefficients. This approach uses theoretical dynamical matrices from which the locally-projected vibrational densities of states are obtained using a Lanczos recursion algorithm. In this talk I present recent improvements to our implementation, which permit simulations of more complex materials with up to two orders of magnitude larger simulation cells. The method takes advantage of parallelization in calculations of the dynamical matrix with VASP. To illustrate these capabilities we discuss two problems of considerable interest: negative thermal expansion in ZrW2O8; and local inhomogeneities in the elastic properties of supported metal nanoparticles. Both cases highlight the importance of a local treatment of vibrational properties. Supported by DOE Grant DE-FG02-03ER15476, with computer support from DOE-NERSC.

  14. Activation energy of negative fixed charges in thermal ALD Al2O3

    NASA Astrophysics Data System (ADS)

    Kühnhold-Pospischil, S.; Saint-Cast, P.; Richter, A.; Hofmann, M.

    2016-08-01

    A study of the thermally activated negative fixed charges Qtot and the interface trap densities Dit at the interface between Si and thermal atomic-layer-deposited amorphous Al2O3 layers is presented. The thermal activation of Qtot and Dit was conducted at annealing temperatures between 220 °C and 500 °C for durations between 3 s and 38 h. The temperature-induced differences in Qtot and Dit were measured using the characterization method called corona oxide characterization of semiconductors. Their time dependency were fitted using stretched exponential functions, yielding activation energies of EA = (2.2 ± 0.2) eV and EA = (2.3 ± 0.7) eV for Qtot and Dit, respectively. For annealing temperatures from 350 °C to 500 °C, the changes in Qtot and Dit were similar for both p- and n-type doped Si samples. In contrast, at 220 °C the charging process was enhanced for p-type samples. Based on the observations described in this contribution, a charging model leading to Qtot based on an electron hopping process between the silicon and Al2O3 through defects is proposed.

  15. Area negative thermal expansion in a beryllium borate LiBeBO3 with edge sharing tetrahedra.

    PubMed

    Yao, Wenjiao; Jiang, Xingxing; Huang, Rongjin; Li, Wei; Huang, Chuanjun; Lin, Zheshuai; Li, Laifeng; Chen, Chuangtian

    2014-11-14

    A very rare area negative thermal expansion phenomenon is observed in a newly discovered alkali beryllium borate LiBeBO3, which is characterized by [BeBO3]∞ double layers intraconnected by edge-sharing BeO4 tetrahedra. This unusual thermal behavior is attributed to the combined vibrational effects of the abnormal Be-O structures and Li(+) cations.

  16. The mechanism of the area negative thermal expansion in KBe{sub 2}BO{sub 3}F{sub 2} family crystals: A first-principles study

    SciTech Connect

    Jiang, Xingxing; Molokeev, Maxim S.; Li, Wei; Wu, Shaofan; Lin, Zheshuai Wu, Yicheng; Chen, Chuangtian

    2016-02-07

    A very recent study demonstrated that the KBe{sub 2}BO{sub 3}F{sub 2} (KBBF) family of crystals, including KBBF, RbBe{sub 2}BO{sub 3}F{sub 2}, and CsBe{sub 2}BO{sub 3}F{sub 2}, are the only known borates exhibiting a rarely occurring isotropic area negative thermal expansion (NTE) behavior, over a very large temperature range. In the present work, the NTE mechanism in these crystals is comprehensively investigated using the first-principles calculations. It is revealed that the area NTE behavior mainly originates from the concerted distortion of [BeO{sub 3}F] tetrahedra in the two-dimensional [Be{sub 2}BO{sub 3}F{sub 2}]{sub ∞} framework with respect to temperature, while the [BO{sub 3}] triangles remain almost rigid. Moreover, the different magnitude of NTE effect in the three crystals is attributed to the interaction difference between the alkali metal atoms (K, Rb, or Cs) and the [Be{sub 2}BO{sub 3}F{sub 2}]{sub ∞} layer.

  17. Remote cooling by a novel thermal lens with anisotropic positive thermal conductivity

    PubMed Central

    Sun, Fei; He, Sailing

    2017-01-01

    A novel thermal lens that can achieve a remote cooling effect is designed by transformation thermodynamics. The effective distance between the separate hot source and cold source is shortened by our shelled thermal lens without any negative thermal conductivity. Numerical simulations verify the performance of our thermal lens. Based on the effective medium theory, we also propose a practical way to realize our lens using two-layered isotropic thermal media that are both found in nature. The proposed thermal lens will have potential applications in remote temperature control and in creating other thermal illusions. PMID:28098221

  18. Remote cooling by a novel thermal lens with anisotropic positive thermal conductivity

    NASA Astrophysics Data System (ADS)

    Sun, Fei; He, Sailing

    2017-01-01

    A novel thermal lens that can achieve a remote cooling effect is designed by transformation thermodynamics. The effective distance between the separate hot source and cold source is shortened by our shelled thermal lens without any negative thermal conductivity. Numerical simulations verify the performance of our thermal lens. Based on the effective medium theory, we also propose a practical way to realize our lens using two-layered isotropic thermal media that are both found in nature. The proposed thermal lens will have potential applications in remote temperature control and in creating other thermal illusions.

  19. Temperature-dependent electronic structures, atomistic modelling and the negative thermal expansion of δ Pu

    NASA Astrophysics Data System (ADS)

    Yin, Z. P.; Deng, Xiaoyu; Basu, K.; Yin, Q.; Kotliar, G.

    2014-10-01

    Proximity to the localization-delocalization boundary results in strong temperature dependence of the electronic structures of strongly correlated materials. In this work, we incorporate this effect by introducing a phenomenological temperature-dependent parameterization of the modified embedded-atom method. We combine this model with molecular dynamics to simulate the diverse physical properties of the ? and ? phases of elemental plutonium. The new model improves upon earlier studies, it captures the negative thermal expansion and the strong temperature dependence of the bulk modulus in the ?-phase. We trace this improvement to a strong softening of phonons near the zone boundary and an increase of anharmonic effects induced by the temperature-dependent parameterization upon increasing temperature.

  20. Local vibrations and negative thermal expansion in ZrW2O8.

    PubMed

    Bridges, F; Keiber, T; Juhas, P; Billinge, S J L; Sutton, L; Wilde, J; Kowach, Glen R

    2014-01-31

    We present an x-ray pair distribution function (XPDF) analysis and extended x-ray absorption fine structure (EXAFS) data for ZrW2O8 (10-500 K) with a focus on the stiffness of the Zr-O-W linkage. The XPDF is highly sensitive to W-Zr and W-W correlations, but much less so to O-O or W-O correlations. The Zr-W peak in the XPDF data has a weak temperature dependence and, hence, this linkage is relatively stiff and does not permit bending of the Zr-O-W link. We propose that the low energy vibrational modes that lead to negative thermal expansion involve correlated rotations of ZrO6 octahedra that produce large <111> translations of the WO4 tetrahedra, rather than a transverse motion of O atoms that imply a flexible Zr-O-W linkage.

  1. Negative thermal expansion in cubic and tetragonal structure coexisted La(Fe,Si)13hydride

    NASA Astrophysics Data System (ADS)

    Li, Shaopeng; Huang, Rongjin; Zhao, Yuqiang; Wang, Wei; Li, Laifeng

    2017-02-01

    In this research, the cubic and tetragonal crystal structure coexisted LaFe10.0Si3.0 compound and its hydride have been prepared by the arc-melting method and the novel electrolytic hydriding. Furthermore, the crystal structure, magneticand negative thermal expansion (NTE) properties of LaFe10.0Si3.0 and its hydride were investigated by the X-ray diffraction (XRD) and physical property measurement system (PPMS). Intriguingly, the NTE operation-temperature window of LaFe10.0Si3.0 has been broadened significantly after introducing interstitial hydrogen atoms. The further magnetic characterizations combined with theoretical analysis reveal that the increase of ferromagnetic to paramagnetic transition temperature due to stronger Fe-Fe magnetic exchange interactions contribute to the broad NTE operation-temperature window in the LaFe10.0Si3.0 hydride.

  2. Negative thermal expansion in hybrid improper ferroelectric Ruddlesden-Popper perovskites by symmetry trapping.

    PubMed

    Senn, M S; Bombardi, A; Murray, C A; Vecchini, C; Scherillo, A; Luo, X; Cheong, S W

    2015-01-23

    We present new results on the microscopic nature of the ferroelectricity mechanisms in Ca3 Mn2O7 and Ca3Ti2O7. To the first approximation, we confirm the hybrid improper ferroelectric mechanism recently proposed by Benedek and Fennie for these Ruddlesden-Popper compounds. However, in Ca3Mn2O7 we find that there is a complex competition between lattice modes of different symmetry which leads to a phase coexistence over a large temperature range and the "symmetry trapping" of a soft mode. This trapping of the soft mode leads to a large uniaxial negative thermal expansion (NTE) reaching a maximum between 250 and 350 K (3.6×10^(-6)  K^{-1}) representing the only sizable NTE reported for these and related perovskite materials to date. Our results suggest a systematic strategy for designing and searching for ceramics with large NTE coefficients.

  3. Large negative thermal expansion in the cubic phase of CaMn7O12

    NASA Astrophysics Data System (ADS)

    Gautam, K.; Shukla, D. K.; Francoual, S.; Bednarcik, J.; Mardegan, J. R. L.; Liermann, H.-P.; Sankar, R.; Chou, F. C.; Phase, D. M.; Strempfer, J.

    2017-04-01

    Observations of multiferroicity and giant improper ferroelectricity in CaMn7O12 invigorated the research on this material. Delicate structural changes have been reported to cause ferroelectricity in the magnetically ordered state of CaMn7O12 as well as high-temperature crystallographic transformations. Through high-resolution synchrotron x-ray diffraction experiments we show for the first time the large negative thermal expansion (NTE) behavior of the cubic phase of CaMn7O12 . A large NTE coefficient αL for a temperature window of around 60 K is inferred for the cubic phase in the phase coexistence region during the high-temperature structural transition. It is explained using quasirigid unit modes. We also observe a large phase coexistence region of about 100 K across the high-temperature first-order structural transition, which is different from previous reports.

  4. Rationalizing thermal reactions of C6Lix negative electrode with nonaqueous electrolyte

    NASA Astrophysics Data System (ADS)

    Mukai, Kazuhiko; Inoue, Takao; Hasegawa, Madoka

    2017-10-01

    Exothermic reactions at elevated temperatures (T) between Li-intercalated C6Lix negative electrodes and nonaqueous electrolytes play a crucial role in the thermal runaway of lithium-ion batteries. However, despite intensive studies so far, the origin of the reactions has not been fully understood, particularly from the viewpoint of a material balance. In this paper, we performed differential scanning calorimetry (DSC) analyses up to 450 °C for samples with x = 0.22, 0.45, 0.67, and 0.89, which were prepared from a graphited mesophase-pitch-based carbon fiber. The DSC profiles for C6Lix with 1 M LiPF6 dissolved in ethylene carbonate (EC)/diethylene carbonate (DEC) solution (EC/DEC = 3/7 by volume) were found to be divided into four different T regions regardless of x. That is, Region (I) below 150 °C, Region (II) for 150 °C < T ≤ 240 °C, Region (III) for 240 °C < T ≤ 270 °C, and Region (IV) above 270 °C. By combining with results for X-ray diffraction measurements and scanning electron microscopic analyses, we have rationalized the change in enthalpy (ΔH) of each Region taking into account the given material balance. Strategies for inhibiting the thermal runaway of LIBs are also discussed.

  5. Exceptionally large positive and negative anisotropic thermal expansion of an organic crystalline material

    NASA Astrophysics Data System (ADS)

    Das, Dinabandhu; Jacobs, Tia; Barbour, Leonard J.

    2010-01-01

    In general, the relatively modest expansion experienced by most materials on heating is caused by increasing anharmonic vibrational amplitudes of the constituent atoms, ions or molecules. This phenomenon is called positive thermal expansion (PTE) and usually occurs along all three crystallographic axes. In very rare cases, structural peculiarities may give rise either to anomalously large PTE, or to negative thermal expansion (NTE, when lattice dimensions shrink with heating). As NTE and unusually large PTE are extremely uncommon for molecular solids, mechanisms that might give rise to such phenomena are poorly understood. Here we show that the packing arrangement of a simple dumbbell-shaped organic molecule, coupled with its intermolecular interactions, facilitates a cooperative mechanical response of the three-dimensional framework to changes in temperature. A series of detailed structural determinations at 15-K intervals has allowed us to visualize the process at the molecular level. The underlying mechanism is reminiscent of a three-dimensional (3D) folding trellis and results in exceptionally large and reversible uniaxial PTE and biaxial NTE of the crystal. Understanding such mechanisms is highly desirable for the future design of sensitive thermomechanical actuators.

  6. The role of spontaneous polarization in the negative thermal expansion of tetragonal PbTiO3-based compounds.

    PubMed

    Chen, Jun; Nittala, Krishna; Forrester, Jennifer S; Jones, Jacob L; Deng, Jinxia; Yu, Ranbo; Xing, Xianran

    2011-07-27

    PbTiO(3)-based compounds are well-known ferroelectrics that exhibit a negative thermal expansion more or less in the tetragonal phase. The mechanism of negative thermal expansion has been studied by high-temperature neutron powder diffraction performed on two representative compounds, 0.7PbTiO(3)-0.3BiFeO(3) and 0.7PbTiO(3)-0.3Bi(Zn(1/2)Ti(1/2))O(3), whose negative thermal expansion is contrarily enhanced and weakened, respectively. With increasing temperature up to the Curie temperature, the spontaneous polarization displacement of Pb/Bi (δz(Pb/Bi)) is weakened in 0.7PbTiO(3)-0.3BiFeO(3) but well-maintained in 0.7PbTiO(3)-0.3Bi(Zn(1/2)Ti(1/2))O(3). There is an apparent correlation between tetragonality (c/a) and spontaneous polarization. Direct experimental evidence indicates that the spontaneous polarization originating from Pb/Bi-O hybridization is strongly associated with the negative thermal expansion. This mechanism can be used as a guide for the future design of negative thermal expansion of phase-transforming oxides.

  7. Synthesis and characterization of some low and negative thermal expansion materials

    NASA Astrophysics Data System (ADS)

    Varga, Tamas

    2005-12-01

    The high-pressure behavior of several negative thermal expansion materials was studied by different methods. In-situ high-pressure x-ray and neutron diffraction studies on several compounds of the orthorhombic Sc 2W3O12 structure revealed an unusual "bulk modulus collapse" at the orthorhombic to monoclinic phase transition. In some members of the A2M3O12 family, a second phase transition and/or pressure-induced amorphization were also seen at higher pressure. The mechanism for volume contraction on compression is different from that on heating. A combined in-situ high pressure x-ray diffraction and absorption spectroscopic study has been carried out for the first time. The pressure-induced amorphization in cubic ZrW2O8 and ZrMo 2O8 was studied by following the changes in the local coordination environments of the metals. A significant change in the average tungsten coordination was found in ZrW2O8, and a less pronounced change in the molybdenum coordination in ZrMo2O8 on amorphization. A kinetically frustrated phase transition to a high-pressure crystalline phase or a kinetically hindered decomposition, are likely driving forces of the amorphization. A complementary ex-situ study confirmed the greater distortion of the framework tetrahedra in ZrW2O8, and revealed a similar distortion of the octahedra in both compounds. The possibility of stabilizing the low thermal expansion high-temperature structure in AM2O7 compounds to lower temperatures through stuffing of ZrP2O7 was explored. Although the phase transition temperature was suppressed in MIxZr 1-xMIIIxP2O7 compositions, the chemical modification employed was not successful in stabilizing the high-temperature structure to around room temperature. An attempt has been made to control the thermal expansion properties in materials of the (MIII0.5MV 0.5)P2O7-type through the choice of the metal cations and through manipulating the ordering of the cations by different heat treatment conditions. Although controlled heat

  8. Isotropic Contraction Of Mercury Due To Despinning

    NASA Astrophysics Data System (ADS)

    Matsuyama, Isamu; Bills, B. G.

    2009-09-01

    Mercury's slow rotation period of 59 days is presumably the result of solar tides driving its initial rotational state to the present 3:2 spin-orbit resonance. The observed large gravity coefficients can be explained as due to a remnant rotational bulge recording an initial rotation period of a few days (Matsuyama and Nimmo 2009). Despinning changes the shape of the rotational bulge, generating both compressional and extensional stresses (Melosh 1977). However, Mercury's surface is dominated by compressional tectonic features (Watters et al. 1998), and the inferred global contraction has been explained as due to thermal cooling (Solomon 1976). In addition to non-isotropic changes associated with the rotational flattening, despinning causes isotropic contraction of the entire planet. We consider the effect of the compressional stresses generated by this isotropic contraction on the predicted tectonic pattern. References Matsuyama and Nimmo. Gravity and tectonic patterns of Mercury: Effect of tidal deformation, spin-orbit resonance, nonzero eccentricity, despinning, and reorientation. J. Geophys. Res. (2009) vol. 114 pp. E01010 Melosh. Global tectonics of a despun planet. Icarus (1977) vol. 31 pp. 221-243 Solomon. Some aspects of core formation in Mercury. Icarus (1976) vol. 28 pp. 509-521 Watters et al. Topography of lobate scarps on Mercury: New constraints on the planet's contraction. Geology (1998) vol. 26 pp. 991-994

  9. Linearized holographic isotropization at finite coupling

    NASA Astrophysics Data System (ADS)

    Atashi, Mahdi; Fadafan, Kazem Bitaghsir; Jafari, Ghadir

    2017-06-01

    We study holographic isotropization of an anisotropic homogeneous non-Abelian strongly coupled plasma in the presence of Gauss-Bonnet corrections. It was verified before that one can linearize Einstein's equations around the final black hole background and simplify the complicated setup. Using this approach, we study the expectation value of the boundary stress tensor. Although we consider small values of the Gauss-Bonnet coupling constant, it is found that finite coupling leads to significant increasing of the thermalization time. By including higher order corrections in linearization, we extend the results to study the effect of the Gauss-Bonnet coupling on the entropy production on the event horizon.

  10. Isotropic Monte Carlo Grain Growth

    SciTech Connect

    Mason, J.

    2013-04-25

    IMCGG performs Monte Carlo simulations of normal grain growth in metals on a hexagonal grid in two dimensions with periodic boundary conditions. This may be performed with either an isotropic or a misorientation - and incliantion-dependent grain boundary energy.

  11. Inertial currents in isotropic plasma

    NASA Technical Reports Server (NTRS)

    Heinemann, M.; Erickson, G. M.; Pontius, D. H., Jr.

    1994-01-01

    The magnetospheric convection electric field contributes to Birkeland currents. The effects of the field are to polarize the plasma by displacing the bounce paths of the ions from those of electrons, to redistribute the pressure so that it is not constant along magnetic field lines, and to enhance the pressure gradient by the gradient of the bulk speed. Changes in the polarization charge during the convection of the plasma are neutralized by electrons in the form of field-aligned currents that close through the ionosphere. The pressure drives field-aligned currents through its gradient in the same manner as in quasi-static plasmas, but with modifications that are important if the bulk speed is of the order of the ion thermal speed; the variations in the pressure along field lines are maintained by a weak parallel potential drop. These effects are described in terms of the field-aligned currents in steady state, isotropic, MHD plasma. Solutions are developed by taking the MHD limit ot two-fluid solutions and illustrated in the special case of Maxwellian plasma for which the temperature is constant along magnetic field lines. The expression for the Birkeland current density is a generalization of Vasyliunas' expression for the field-aligned current density in quasi-static plasma and provides a unifying expression when both pressure gradients and ion inertia operate simultaneously as sources of field-aligned currents. It contains a full account of different aspects of the ion flow (parallel and perpendicular velocity and vorticity) that contribute to the currents. Contributions of ion inertia to field-aligned currents will occur in regions of strong velocity shear, electric field reversal, or large gradients in the parallel velocity or number density, and may be important in the low-latitude boundary layer, plasma sheet boundary layer, and the inner edge region of the plasma sheet.

  12. Large amplitude dust-acoustic double layers in non-thermal plasmas with positive and negative dust

    NASA Astrophysics Data System (ADS)

    Maharaj, S. K.; Bharuthram, R.; Singh, S. V.; Pillay, S. R.; Lakhina, G. S.

    2011-11-01

    The existence of large amplitude double layers in a plasma composed of cold negative dust, adiabatic positive dust, non-thermal ions and Boltzmann electrons is investigated using the Sagdeev pseudopotential technique. Both positive potential and negative potential double layers are found to be supported by the model. The variation of the maximum amplitudes of the double layers and corresponding Mach numbers are examined as a function of various plasma parameters. In particular, we investigate to what extent ion non-thermal effects are required for positive potential double layers to occur.

  13. Large amplitude dust-acoustic double layers in non-thermal plasmas with positive and negative dust

    SciTech Connect

    Maharaj, S. K.; Bharuthram, R.; Singh, S. V.; Lakhina, G. S.; Pillay, S. R.

    2011-11-29

    The existence of large amplitude double layers in a plasma composed of cold negative dust, adiabatic positive dust, non-thermal ions and Boltzmann electrons is investigated using the Sagdeev pseudopotential technique. Both positive potential and negative potential double layers are found to be supported by the model. The variation of the maximum amplitudes of the double layers and corresponding Mach numbers are examined as a function of various plasma parameters. In particular, we investigate to what extent ion non-thermal effects are required for positive potential double layers to occur.

  14. Theoretical study of negative thermal expansion mechanism of ZnF{sub 2}

    SciTech Connect

    Wang, Lei; Yuan, Peng-Fei; Wang, Fei; Sun, Qiang; Liang, Er-Jun; Jia, Yu

    2012-05-15

    Graphical abstract: ZnF{sub 2} owns open-framework structure and its negative thermal expansion (NTE) properties have been confirmed using a first-principles calculation. According to the phonon eigenvectors and group theory analysis, the lowest frequency (48.9 cm{sup -1}, B{sub 1g} mode) rigid unit mode (RUM) of ZnF{sub 6} causes a rotary coupling between two adjacent octahedrons and makes the Zn-Zn distance shorter, which is considered to be most responsible for the NTE properties of ZnF{sub 2}. Highlights: Black-Right-Pointing-Pointer The NTE properties of ZnF{sub 2} are confirmed using a first-principles calculation. Black-Right-Pointing-Pointer Phonon mode classification and Grueneisen parameters are systematically presented. Black-Right-Pointing-Pointer The rigid unit mode causes a rotary coupling and makes the Zn-Zn distance shorter. Black-Right-Pointing-Pointer The optical branch with the lowest frequency is most responsible for the NTE. -- Abstract: ZnF{sub 2} is reported to exhibit negative thermal expansion (NTE) at lower temperatures very recently. In this article, we present the electronic and NTE properties of ZnF{sub 2} using a first-principles calculation. Our results show that ZnF{sub 2} is an insulator with a direct band gap and a strong hybridization occurs between Zn-3p, 4s and F-2p states. The related calculations on NTE properties are obtained within the quasi-harmonic approximation. The resulting relationship between volume and temperature confirms the NTE properties. Besides, we discuss the NTE mechanism in accordance to phonon vibrational modes. The phonon vibrational modes contributing to the NTE are singled out by Grueneisen parameters and all these modes are low-frequency optical phonons. The lowest frequency rigid unit mode (RUM) of ZnF{sub 6} causes a rotary coupling between two adjacent octahedrons and makes the Zn-Zn distance shorter, which is most responsible for the NTE properties of ZnF{sub 2}.

  15. Interpenetration as a mechanism for negative thermal expansion in the metal-organic framework Cu3(btb)2 (MOF-14).

    PubMed

    Wu, Yue; Peterson, Vanessa K; Luks, Emily; Darwish, Tamim A; Kepert, Cameron J

    2014-05-12

    Metal-organic framework materials (MOFs) have recently been shown in some cases to exhibit strong negative thermal expansion (NTE) behavior, while framework interpenetration has been found to reduce NTE in many materials. Using powder and single-crystal diffraction methods we investigate the thermal expansion behavior of interpenetrated Cu3(btb)2 (MOF-14) and find that it exhibits an anomalously large NTE effect. Temperature-dependent structural analysis shows that, contrary to other interpenetrated materials, in MOF-14 the large positive thermal expansion of weak interactions that hold the interpenetrating networks together results in a low-energy contractive distortion of the overall framework structure, demonstrating a new mechanism for NTE.

  16. Indentation of Transversely Isotropic Materials

    NASA Astrophysics Data System (ADS)

    Bhat, Talapady Srivatsa

    Instrumented indentation, as a tool for characterization of mechanical properties, has well been established in the past decades. Studies have been conducted to understand the behavior of isotropic materials under indentation and techniques to accurately predict isotropic material properties have also been reported. Further, within the isotropic regime, work has been done to predict the indentation hardness without having to investigate the area of contact during indentation. Studies have also reported the prospect of utilizing indentation to predict the fatigue behavior of isotropic materials. This dissertation is made with the intent of extending the use of indentation, as a characterization tool, to the anisotropic regime. The effect of transverse isotropy on the indentation response of materials is systematically studied here. Extensive computational analysis is performed to elucidate the underlying deformation mechanics of indentation of transversely isotropic materials. Owing to the anisotropy, indentation may be performed parallel or perpendicular to the plane of isotropy of the specimen. It is observed that the indentation response varies significantly for each of these cases. The two cases are treated as unique and an identical systematic analysis is carried for both. The indentation orientations shall henceforth be referred to as transverse and longitudinal indentation for indentation parallel and perpendicular to the plane of isotropy respectively. A technique is developed capable of extracting the elastic-plastic properties of transversely isotropic materials from interpretation of indentation response in either direction. The technique is rigorously tested for its robustness, accuracy and uniqueness of results. A sensitivity analysis is performed to determine how sensitive the technique is to errors in experimental results. Rigorous studies are performed to understand the variation in pile-up or sink-in during indentation with varying anisotropy in the

  17. Valence transitions in negative thermal expansion material SrCu₃Fe₄O₁₂.

    PubMed

    Yamada, Ikuya; Shiro, Kentaro; Etani, Hidenobu; Marukawa, Shohei; Hayashi, Naoaki; Mizumaki, Masaichiro; Kusano, Yoshihiro; Ueda, Shigenori; Abe, Hideki; Irifune, Tetsuo

    2014-10-06

    The valence states of a negative thermal expansion material, SrCu3Fe4O12, are investigated by X-ray absorption and (57)Fe Mössbauer spectroscopy. Spectroscopic analyses reveal that the appropriate ionic model of this compound at room temperature is Sr(2+)Cu(~2.4+)3Fe(~3.7+)4O12. The valence states continuously transform to Sr(2+)Cu(~2.8+)3Fe(~3.4+)4O12 upon cooling to ~200 K, followed by a charge disproportionation transition into the Sr(2+)Cu(~2.8+)3Fe(3+)(~3.2)Fe(5+)(~0.8)O12 valence state at ~4 K. These observations have established the charge-transfer mechanism in this compound, and the electronic phase transitions in SrCu3Fe4O12 can be distinguished from the first-order charge-transfer phase transitions (3Cu(2+) + 4Fe(3.75+) → 3Cu(3+) + 4Fe(3+)) in Ln(3+)Cu(2+)3Fe(3.75+)4O12 (Ln = trivalent lanthanide ions).

  18. Hierarchical densification and negative thermal expansion in Ce-based metallic glass under high pressure.

    PubMed

    Luo, Qiang; Garbarino, Gaston; Sun, Baoan; Fan, Dawei; Zhang, Yue; Wang, Zhi; Sun, Yajuan; Jiao, Jin; Li, Xiaodong; Li, Pengshan; Mattern, Norbert; Eckert, Jürgen; Shen, Jun

    2015-02-02

    The polyamorphsim in amorphous materials is one of the most fascinating topics in condensed matter physics. In amorphous metals, the nature of polyamorphic transformation is poorly understood. Here we investigate the structural evolution of a Ce-based metallic glass (MG) with pressure at room temperature (RT) and near the glass transition temperature by synchrotron X-ray diffraction, uncovering novel behaviours. The MG shows hierarchical densification processes at both temperatures, arising from the hierarchy of interatomic interactions. In contrast with a continuous and smooth process for the low- to medium-density amorphous state transformation at RT, a relatively abrupt and discontinuous transformation around 5.5 GPa is observed at 390 K, suggesting a possible weak first-order nature. Furthermore, both positive and abnormal-negative thermal expansion behaviours on medium-range order are observed in different pressure windows, which could be related to the low-energy vibrational motions and relaxation of the weakly linked solute-centred clusters.

  19. Size effects on negative thermal expansion in cubic ScF{sub 3}

    SciTech Connect

    Yang, C.; Guo, X. G.; Zhang, K.; Tong, P. Lin, J. C.; Wang, M.; Wu, Y.; Lin, S.; Xu, W.; Song, W. H.; Huang, P. C.; Sun, Y. P.

    2016-07-11

    Scandium trifluoride (ScF{sub 3}), adopting a cubic ReO{sub 3}-type structure at ambient pressure, undergoes a pronounced negative thermal expansion (NTE) over a wide range of temperatures (10 K–1100 K). Here, we report the size effects on the NTE properties of ScF{sub 3}. The magnitude of NTE is reduced with diminishing the crystal size. As revealed by the specific heat measurement, the low-energy phonon vibrations which account for the NTE behavior are stiffened as the crystal size decreases. With decreasing the crystal size, the peaks in high-energy X-ray pair distribution function (PDF) become broad, which cannot be illuminated by local symmetry breaking. Instead, the broadened PDF peaks are strongly indicative of enhanced atomic displacements which are suggested to be responsible for the stiffening of NTE-related lattice vibrations. The present study suggests that the NTE properties of ReO{sub 3}-type and other open-framework materials can be effectively adjusted by controlling the crystal size.

  20. Thermoelectric materials by using two-dimensional materials with negative correlation between electrical and thermal conductivity

    PubMed Central

    Lee, Myoung-Jae; Ahn, Ji-Hoon; Sung, Ji Ho; Heo, Hoseok; Jeon, Seong Gi; Lee, Woo; Song, Jae Yong; Hong, Ki-Ha; Choi, Byeongdae; Lee, Sung-Hoon; Jo, Moon-Ho

    2016-01-01

    In general, in thermoelectric materials the electrical conductivity σ and thermal conductivity κ are related and thus cannot be controlled independently. Previously, to maximize the thermoelectric figure of merit in state-of-the-art materials, differences in relative scaling between σ and κ as dimensions are reduced to approach the nanoscale were utilized. Here we present an approach to thermoelectric materials using tin disulfide, SnS2, nanosheets that demonstrated a negative correlation between σ and κ. In other words, as the thickness of SnS2 decreased, σ increased whereas κ decreased. This approach leads to a thermoelectric figure of merit increase to 0.13 at 300 K, a factor ∼1,000 times greater than previously reported bulk single-crystal SnS2. The Seebeck coefficient obtained for our two-dimensional SnS2 nanosheets was 34.7 mV K−1 for 16-nm-thick samples at 300 K. PMID:27323662

  1. Thermoelectric materials by using two-dimensional materials with negative correlation between electrical and thermal conductivity.

    PubMed

    Lee, Myoung-Jae; Ahn, Ji-Hoon; Sung, Ji Ho; Heo, Hoseok; Jeon, Seong Gi; Lee, Woo; Song, Jae Yong; Hong, Ki-Ha; Choi, Byeongdae; Lee, Sung-Hoon; Jo, Moon-Ho

    2016-06-21

    In general, in thermoelectric materials the electrical conductivity σ and thermal conductivity κ are related and thus cannot be controlled independently. Previously, to maximize the thermoelectric figure of merit in state-of-the-art materials, differences in relative scaling between σ and κ as dimensions are reduced to approach the nanoscale were utilized. Here we present an approach to thermoelectric materials using tin disulfide, SnS2, nanosheets that demonstrated a negative correlation between σ and κ. In other words, as the thickness of SnS2 decreased, σ increased whereas κ decreased. This approach leads to a thermoelectric figure of merit increase to 0.13 at 300 K, a factor ∼1,000 times greater than previously reported bulk single-crystal SnS2. The Seebeck coefficient obtained for our two-dimensional SnS2 nanosheets was 34.7 mV K(-1) for 16-nm-thick samples at 300 K.

  2. Transversely isotropic poroelasticity arising from thin isotropic layers

    SciTech Connect

    Berryman, J.G.

    1996-11-01

    Percolation phenomena play central roles in the field of poroelasticity, where two distinct sets of percolating continua intertwine. A connected solid frame forms the basis of the elastic behavior of a poroelastic medium in the presence of confining forces, while connected pores permit a percolating fluid (if present) to influence the mechanical response of the system from within. The present paper discusses isotropic and anisotropic poroelastic media and establishes general formulas for the behavior of transversely isotropic poroelasticity arising from laminations of isotropic components. The Backus averaging method is shown to provide elementary means of constructing general formulas. The results for confined fluids are then compared with the more general Gassmann formulas that must be satisfied by any anisotropic poroelastic medium and found to be in complete agreement.

  3. Existence domains of large amplitude dust-acoustic solitons in non-thermal plasmas with positive and negative dust

    NASA Astrophysics Data System (ADS)

    Maharaj, S. K.; Bharuthram, R.; Singh, S. V.; Pillay, S. R.; Lakhina, G. S.

    2011-11-01

    Using the traditional Sagdeev pseudopotential approach, the existence of large amplitude solitons is investigated for a plasma composed of cold negative dust, adiabatic positive dust, non-thermal ions and Boltzmann electrons. The lower and upper soliton Mach number limitations are determined as a function of various parameters and physical reasons are provided as to why these Mach number limits occur. Some regions in parameter space have been identified where only negative or positive solitons occur, whereas, other regions support the coexistence of both positive and negative potential solitons.

  4. Existence domains of large amplitude dust-acoustic solitons in non-thermal plasmas with positive and negative dust

    SciTech Connect

    Maharaj, S. K.; Bharuthram, R.; Singh, S. V.; Lakhina, G. S.; Pillay, S. R.

    2011-11-29

    Using the traditional Sagdeev pseudopotential approach, the existence of large amplitude solitons is investigated for a plasma composed of cold negative dust, adiabatic positive dust, non-thermal ions and Boltzmann electrons. The lower and upper soliton Mach number limitations are determined as a function of various parameters and physical reasons are provided as to why these Mach number limits occur. Some regions in parameter space have been identified where only negative or positive solitons occur, whereas, other regions support the coexistence of both positive and negative potential solitons.

  5. Transversely isotropic elasticity and poroelasticity arising from thin isotropic layers

    SciTech Connect

    Berryman, J.G.

    1997-07-01

    Since the classic work of Postma [1955] and Backus [1962], much has been learned about elastic constants in vertical transversely isotropic (VTI) media when the anisotropy is due to fine layering of isotropic elastic materials. However, new results are still being discovered. For example, the P-wave anisotropy parameter c{sub 11}/c{sub 33} lies in the range 1/4 {<=} c{sub 11}/c{sub 33} {<=} <{lambda}+2{mu}><1/({lambda}+2{mu})>, when the layers are themselves composed of isotropic elastic materials with Lame constants {lambda} and {mu} and the vertical average of the layers is symbolized by <{center_dot}>. The lower bound corrects a result of Postma. For porous layers, a connected solid frame forms the basis of the elastic behavior of a poroelastic medium in the presence of confining forces, while connected pores permit a percolating fluid (if present) to influence the mechanical response of the system from within. For isotropic and anisotropic poroelastic media, we establish general formulas for the behavior of transversely isotropic poroelasticity arising from laminations of isotropic components. The Backus averaging method is shown to provide elementary means of constructing general formulas. The results for confined fluids are then compared with the more general Gassmann [1951] formulas that must be satisfied by any anisotropic poroelastic medium and found to be in complete agreement. Such results are important for applications to oil exploration using AVO (amplitude versus offset) since the presence or absence of a fluid component, as well as the nature of the fluid, is the critical issue and the ways in which the fluid influences seismic reflection data still need to be better understood.

  6. Impact of metallophilicity on "colossal" positive and negative thermal expansion in a series of isostructural dicyanometallate coordination polymers.

    PubMed

    Korcok, Jasmine L; Katz, Michael J; Leznoff, Daniel B

    2009-04-08

    Five isostructural dicyanometallate coordination polymers containing metallophilic interactions (In[M(CN)(2)](3) (M = Ag, Au), KCd[M(CN)(2)](3), and KNi[Au(CN)(2)](3)) were synthesized and investigated by variable-temperature powder X-ray diffraction to probe their thermal expansion properties. The compounds have a trigonal unit cell and show positive thermal expansion (PTE) in the ab plane, where Kagome sheets of M atoms reside, and negative thermal expansion (NTE) along the trigonal c axis, perpendicular to these sheets. The magnitude of thermal expansion is unusually large in all cases (40 x 10(-6) K(-1) < |alpha| < 110 x 10(-6) K(-1)). The system with the weakest metallophilic interactions, In[Ag(CN)(2)](3), shows the most "colossal" thermal expansion of the series (alpha(a) = 105(2) x 10(-6) K(-1), alpha(c) = -84(2) x 10(-6) K(-1) at 295 K), while systems containing stronger Au-Au interactions show relatively reduced thermal expansion. Thus, it appears that strong metallophilic interactions hinder colossal thermal expansion behavior. Additionally, the presence of K(+) counterions also reduces the magnitude of thermal expansion.

  7. Micro-Structured Two-Component 3D Metamaterials with Negative Thermal-Expansion Coefficient from Positive Constituents

    NASA Astrophysics Data System (ADS)

    Qu, Jingyuan; Kadic, Muamer; Naber, Andreas; Wegener, Martin

    2017-01-01

    Controlling the thermal expansion of materials is of great technological importance. Uncontrolled thermal expansion can lead to failure or irreversible destruction of structures and devices. In ordinary crystals, thermal expansion is governed by the asymmetry of the microscopic binding potential, which cannot be adjusted easily. In artificial crystals called metamaterials, thermal expansion can be controlled by structure. Here, following previous theoretical work, we fabricate three-dimensional (3D) two-component polymer micro-lattices by using gray-tone laser lithography. We perform cross-correlation analysis of optical microscopy images taken at different sample temperatures. The derived displacement-vector field reveals that the thermal expansion and resulting bending of the bi-material beams leads to a rotation of the 3D chiral crosses arranged onto a 3D checkerboard pattern within one metamaterial unit cell. These rotations can compensate the expansion of the all positive constituents, leading to an effectively near-zero thermal length-expansion coefficient, or over-compensate the expansion, leading to an effectively negative thermal length-expansion coefficient. This evidences a striking level of thermal-expansion control.

  8. Micro-Structured Two-Component 3D Metamaterials with Negative Thermal-Expansion Coefficient from Positive Constituents

    PubMed Central

    Qu, Jingyuan; Kadic, Muamer; Naber, Andreas; Wegener, Martin

    2017-01-01

    Controlling the thermal expansion of materials is of great technological importance. Uncontrolled thermal expansion can lead to failure or irreversible destruction of structures and devices. In ordinary crystals, thermal expansion is governed by the asymmetry of the microscopic binding potential, which cannot be adjusted easily. In artificial crystals called metamaterials, thermal expansion can be controlled by structure. Here, following previous theoretical work, we fabricate three-dimensional (3D) two-component polymer micro-lattices by using gray-tone laser lithography. We perform cross-correlation analysis of optical microscopy images taken at different sample temperatures. The derived displacement-vector field reveals that the thermal expansion and resulting bending of the bi-material beams leads to a rotation of the 3D chiral crosses arranged onto a 3D checkerboard pattern within one metamaterial unit cell. These rotations can compensate the expansion of the all positive constituents, leading to an effectively near-zero thermal length-expansion coefficient, or over-compensate the expansion, leading to an effectively negative thermal length-expansion coefficient. This evidences a striking level of thermal-expansion control. PMID:28079161

  9. Micro-Structured Two-Component 3D Metamaterials with Negative Thermal-Expansion Coefficient from Positive Constituents.

    PubMed

    Qu, Jingyuan; Kadic, Muamer; Naber, Andreas; Wegener, Martin

    2017-01-12

    Controlling the thermal expansion of materials is of great technological importance. Uncontrolled thermal expansion can lead to failure or irreversible destruction of structures and devices. In ordinary crystals, thermal expansion is governed by the asymmetry of the microscopic binding potential, which cannot be adjusted easily. In artificial crystals called metamaterials, thermal expansion can be controlled by structure. Here, following previous theoretical work, we fabricate three-dimensional (3D) two-component polymer micro-lattices by using gray-tone laser lithography. We perform cross-correlation analysis of optical microscopy images taken at different sample temperatures. The derived displacement-vector field reveals that the thermal expansion and resulting bending of the bi-material beams leads to a rotation of the 3D chiral crosses arranged onto a 3D checkerboard pattern within one metamaterial unit cell. These rotations can compensate the expansion of the all positive constituents, leading to an effectively near-zero thermal length-expansion coefficient, or over-compensate the expansion, leading to an effectively negative thermal length-expansion coefficient. This evidences a striking level of thermal-expansion control.

  10. Structure and enhancement of negative thermal expansion in the PbTiO3-CdTiO3 system

    NASA Astrophysics Data System (ADS)

    Chen, J.; Xing, X. R.; Yu, R. B.; Liu, G. R.

    2005-12-01

    The structures of Pb1-xCdxTiO3 (x =0.03 and 0.06) were investigated by the x-ray Rietveld method at room temperature. It is surprising to find that the spontaneous polarization displacements of Pb /Cd and Ti atoms according to the oxygen polyhedron decrease, although the c /a ratio increases with doping-cadmium content. Cadmium substitution plays a unique role of enhancement of the negative thermal expansion in PbTiO3. The average bulk thermal expansion coefficient decreases from a¯=-1.99×10-5/°C for pure PbTiO3 to a¯=-2.40×10-5/°C for Pb0.94Cd0.06TiO3. The negative thermal expansion of PbTiO3 might be a consequence of hybridization between Pb and O atoms.

  11. Negative thermal expansion in 2H CuScO2 originating from the cooperation of transverse thermal vibrations of Cu and O atoms.

    PubMed

    Chang, Dahu; Yu, Weiyang; Sun, Qiang; Jia, Yu

    2017-01-18

    Negative thermal expansion (NTE) originating from the transverse thermal vibrations of metal atoms is seldom reported, which is why the transparent conducting oxide 2H CuScO2 is such a unique case. Using the density functional theory (DFT) and the quasi-harmonic approximation (QHA), the thermal properties of 2H CuScO2 were investigated. The coefficient of thermal expansion (CTE) and the Grüneisen parameters of different vibrational modes were calculated, and we found that, up to a temperature of 200 K, 2H CuScO2 displays a strong NTE behavior along the c-axis (i.e. along the O-Cu-O linkage), with an average CTE of approximately -2 × 10(-6) K(-1). Our calculations are consistent with the experimental values. Furthermore, we reveal that low energy modes (0-150 cm(-1)) originating from the cooperation of transverse vibrations of Cu and O atoms, which result in larger negative Grüneisen parameters and vibrational frequency softening phenomenon under pressure, are the main reasons for the NTE of such materials with a 2H structure. Our findings not only provide a better understanding of the NTE mechanism, but also present a report on detailed abnormal thermal properties in 2H CuScO2 that have applications in electronic, electrochemical and optoelectronic devices.

  12. Lower body positive and negative pressure alter thermal and hemodynamic responses after exercise.

    PubMed

    Journeay, W Shane; Reardon, Francis D; Jean-Gilles, Sartre; Martin, C Ryan; Kenny, Glen P

    2004-10-01

    The purpose of this study was to determine the effect of upright lower body positive and negative pressure (LBPP/LBNP) application on the post-exercise thermal response. It was hypothesized that the application of LBPP would decrease core temperature secondary to increases in skin blood flow (SkBF) and sweating, whereas the application of LBNP would maintain core temperature secondary to attenuated SkBF and sweating responses. There were six subjects who randomly underwent each of the following treatments in the upright posture, separated by a minimum of 48 h: 1) +45 mmHg LBPP; 2) -20 mmHg LBNP; or 3) no pressure for 45 min after performing 15 min of cycle ergometry exercise at 70% of their VO2peak. Measurements included mean arterial pressure (MAP), heart rate (HR), cardiac output (Q), stroke volume (SV), total peripheral resistance (TPR), mean skin temperature (Tsk), mean heat flux, esophageal temperature (Tes), SkBF, and sweat rate. After the application of LBPP, we observed a significantly greater decrease in core temperature relative to the LBNP and control conditions (p < 0.001). This was accompanied by increases in SkBF, sweating, and heat flux (p < 0.05), all of which were higher than the LBNP and control conditions. Core temperature, SkBF, sweating, and heat flux in the LBNP and control conditions were not different from each other. LBPP promoted the restoration of hemodynamics while LBNP and control prolonged the post-exercise hemodynamic state. We conclude that during recovery from exercise in the upright seated posture, core temperature recovery is affected by compromised SkBF and sweating secondary to nonthermal cardiovascular influences.

  13. Negative thermal expansion and associated anomalous physical properties: review of the lattice dynamics theoretical foundation.

    PubMed

    Dove, Martin T; Fang, Hong

    2016-06-01

    Negative thermal expansion (NTE) is the phenomenon in which materials shrink rather than expand on heating. Although NTE had been previously observed in a few simple materials at low temperature, it was the realisation in 1996 that some materials have NTE over very wide ranges of temperature that kick-started current interest in this phenomenon. Now, nearly two decades later, a number of families of ceramic NTE materials have been identified. Increasingly quantitative studies focus on the mechanism of NTE, through techniques such as high-pressure diffraction, local structure probes, inelastic neutron scattering and atomistic simulation. In this paper we review our understanding of vibrational mechanisms of NTE for a range of materials. We identify a number of different cases, some of which involve a small number of phonons that can be described as involving rotations of rigid polyhedral groups of atoms, others where there are large bands of phonons involved, and some where the transverse acoustic modes provide the main contribution to NTE. In a few cases the elasticity of NTE materials has been studied under pressure, identifying an elastic softening under pressure. We propose that this property, called pressure-induced softening, is closely linked to NTE, which we can demonstrate using a simple model to describe NTE materials. There has also been recent interest in the role of intrinsic anharmonic interactions on NTE, particularly guided by calculations of the potential energy wells for relevant phonons. We review these effects, and show how anhamonicity affects the response of the properties of NTE materials to pressure.

  14. Negative thermal expansion and associated anomalous physical properties: review of the lattice dynamics theoretical foundation

    NASA Astrophysics Data System (ADS)

    Dove, Martin T.; Fang, Hong

    2016-06-01

    Negative thermal expansion (NTE) is the phenomenon in which materials shrink rather than expand on heating. Although NTE had been previously observed in a few simple materials at low temperature, it was the realisation in 1996 that some materials have NTE over very wide ranges of temperature that kick-started current interest in this phenomenon. Now, nearly two decades later, a number of families of ceramic NTE materials have been identified. Increasingly quantitative studies focus on the mechanism of NTE, through techniques such as high-pressure diffraction, local structure probes, inelastic neutron scattering and atomistic simulation. In this paper we review our understanding of vibrational mechanisms of NTE for a range of materials. We identify a number of different cases, some of which involve a small number of phonons that can be described as involving rotations of rigid polyhedral groups of atoms, others where there are large bands of phonons involved, and some where the transverse acoustic modes provide the main contribution to NTE. In a few cases the elasticity of NTE materials has been studied under pressure, identifying an elastic softening under pressure. We propose that this property, called pressure-induced softening, is closely linked to NTE, which we can demonstrate using a simple model to describe NTE materials. There has also been recent interest in the role of intrinsic anharmonic interactions on NTE, particularly guided by calculations of the potential energy wells for relevant phonons. We review these effects, and show how anhamonicity affects the response of the properties of NTE materials to pressure.

  15. Matrix-filler interfaces and physical properties of metal matrix composites with negative thermal expansion manganese nitride

    SciTech Connect

    Takenaka, Koshi; Kuzuoka, Kota; Sugimoto, Norihiro

    2015-08-28

    Copper matrix composites containing antiperovskite manganese nitrides with negative thermal expansion (NTE) were formed using pulsed electric current sintering. Energy dispersive X-ray spectroscopy revealed that the chemically reacted region extends over 10 μm around the matrix–filler interfaces. The small-size filler was chemically deteriorated during formation of composites and it lost the NTE property. Therefore, we produced the composites using only the nitride particles having diameter larger than 50 μm. The large-size filler effectively suppressed the thermal expansion of copper and improved the conductivity of the composites to the level of pure aluminum. The present composites, having high thermal conductivity and low thermal expansion, are suitable for practical applications such as a heat radiation substrate for semiconductor devices.

  16. Matrix-filler interfaces and physical properties of metal matrix composites with negative thermal expansion manganese nitride

    NASA Astrophysics Data System (ADS)

    Takenaka, Koshi; Kuzuoka, Kota; Sugimoto, Norihiro

    2015-08-01

    Copper matrix composites containing antiperovskite manganese nitrides with negative thermal expansion (NTE) were formed using pulsed electric current sintering. Energy dispersive X-ray spectroscopy revealed that the chemically reacted region extends over 10 μm around the matrix-filler interfaces. The small-size filler was chemically deteriorated during formation of composites and it lost the NTE property. Therefore, we produced the composites using only the nitride particles having diameter larger than 50 μm. The large-size filler effectively suppressed the thermal expansion of copper and improved the conductivity of the composites to the level of pure aluminum. The present composites, having high thermal conductivity and low thermal expansion, are suitable for practical applications such as a heat radiation substrate for semiconductor devices.

  17. A wave-dominated heat transport mechanism for negative differential thermal resistance in graphene/hexagonal boron nitride heterostructures

    NASA Astrophysics Data System (ADS)

    Chen, Xue-Kun; Liu, Jun; Peng, Zhi-Hua; Du, Dan; Chen, Ke-Qiu

    2017-02-01

    Nonlinear thermal transport in graphene/hexagonal boron nitride (h-BN) heterostructure is investigated by the nonequilibrium molecular dynamics method. It is found that negative differential thermal resistance (NDTR) will appear as the applied temperature difference increases. Detailed phonon spectra analysis reveals that the excited out-of-plane acoustic wave plays an important role in the heat transport across such interface. That is, the mechanical wave results in a significant mismatch between the lattice vibrations of graphene and h-BN domains and hinders interfacial thermal transport. In addition, NDTR can be tuned through the temperature parameter. Interestingly, the regime of NDTR becomes smaller and eventually vanishes with increasing the heterostructure length. However, NDTR is insensitive to the variation of system width. The work may be useful for nanoscale thermal managements utilizing the graphene/h-BN heterostructure.

  18. Negative signals of photoinduced current transient and thermally stimulated current spectroscopy in GaAs due to negative-U properties of oxygen

    NASA Astrophysics Data System (ADS)

    Kühnel, Günter

    2008-09-01

    Bulk GaAs grown under high oxygen potential shows an intermediate resistivity (ρ ˜3×103 Ω cm at room temperature) with an electron activation energy E =0.42 eV. The relevant defect has been identified in literature as off-centered substitutional oxygen with three different charge states. Photoelectrical measurements on such GaAs material exhibit distinctly anomalous signals. Photoinduced current transient spectroscopy (PICTS) shows a signal with a negative sign, whereas thermally stimulated currents (TSCs) are clearly lower than the dark current. By means of a set of coupled differential equations, the carrier exchange between the defect levels and the conduction band is described. Solving these rate equations, the PICTS and TSC curves are modeled. In this way, it could be demonstrated that the anomalous PICTS and TSC signals are caused by the negative-U behavior of the off-center oxygen. This is in agreement with results of infrared spectroscopy.

  19. Spin-dependent Seebeck Effect, Thermal Colossal Magnetoresistance and Negative Differential Thermoelectric Resistance in Zigzag Silicene Nanoribbon Heterojunciton

    PubMed Central

    Fu, Hua-Hua; Wu, Dan-Dan; Zhang, Zu-Quan; Gu, Lei

    2015-01-01

    Spin-dependent Seebeck effect (SDSE) is one of hot topics in spin caloritronics, which examine the relationships between spin and heat transport in materials. Meanwhile, it is still a huge challenge to obtain thermally induced spin current nearly without thermal electron current. Here, we construct a hydrogen-terminated zigzag silicene nanoribbon heterojunction, and find that by applying a temperature difference between the source and the drain, spin-up and spin-down currents are generated and flow in opposite directions with nearly equal magnitudes, indicating that the thermal spin current dominates the carrier transport while the thermal electron current is much suppressed. By modulating the temperature, a pure thermal spin current can be achieved. Moreover, a thermoelectric rectifier and a negative differential thermoelectric resistance can be obtained in the thermal electron current. Through the analysis of the spin-dependent transport characteristics, a phase diagram containing various spin caloritronic phenomena is provided. In addition, a thermal magnetoresistance, which can reach infinity, is also obtained. Our results put forward an effective route to obtain a spin caloritronic material which can be applied in future low-power-consumption technology. PMID:26000658

  20. Spin-dependent Seebeck Effect, Thermal Colossal Magnetoresistance and Negative Differential Thermoelectric Resistance in Zigzag Silicene Nanoribbon Heterojunciton

    NASA Astrophysics Data System (ADS)

    Fu, Hua-Hua; Wu, Dan-Dan; Zhang, Zu-Quan; Gu, Lei

    2015-05-01

    Spin-dependent Seebeck effect (SDSE) is one of hot topics in spin caloritronics, which examine the relationships between spin and heat transport in materials. Meanwhile, it is still a huge challenge to obtain thermally induced spin current nearly without thermal electron current. Here, we construct a hydrogen-terminated zigzag silicene nanoribbon heterojunction, and find that by applying a temperature difference between the source and the drain, spin-up and spin-down currents are generated and flow in opposite directions with nearly equal magnitudes, indicating that the thermal spin current dominates the carrier transport while the thermal electron current is much suppressed. By modulating the temperature, a pure thermal spin current can be achieved. Moreover, a thermoelectric rectifier and a negative differential thermoelectric resistance can be obtained in the thermal electron current. Through the analysis of the spin-dependent transport characteristics, a phase diagram containing various spin caloritronic phenomena is provided. In addition, a thermal magnetoresistance, which can reach infinity, is also obtained. Our results put forward an effective route to obtain a spin caloritronic material which can be applied in future low-power-consumption technology.

  1. Spin-dependent Seebeck Effect, Thermal Colossal Magnetoresistance and Negative Differential Thermoelectric Resistance in Zigzag Silicene Nanoribbon Heterojunciton.

    PubMed

    Fu, Hua-Hua; Wu, Dan-Dan; Zhang, Zu-Quan; Gu, Lei

    2015-05-22

    Spin-dependent Seebeck effect (SDSE) is one of hot topics in spin caloritronics, which examine the relationships between spin and heat transport in materials. Meanwhile, it is still a huge challenge to obtain thermally induced spin current nearly without thermal electron current. Here, we construct a hydrogen-terminated zigzag silicene nanoribbon heterojunction, and find that by applying a temperature difference between the source and the drain, spin-up and spin-down currents are generated and flow in opposite directions with nearly equal magnitudes, indicating that the thermal spin current dominates the carrier transport while the thermal electron current is much suppressed. By modulating the temperature, a pure thermal spin current can be achieved. Moreover, a thermoelectric rectifier and a negative differential thermoelectric resistance can be obtained in the thermal electron current. Through the analysis of the spin-dependent transport characteristics, a phase diagram containing various spin caloritronic phenomena is provided. In addition, a thermal magnetoresistance, which can reach infinity, is also obtained. Our results put forward an effective route to obtain a spin caloritronic material which can be applied in future low-power-consumption technology.

  2. Geometrically frustrated GdInO3: An exotic system to study negative thermal expansion and spin-lattice coupling

    NASA Astrophysics Data System (ADS)

    Paul, Barnita; Chatterjee, Swastika; Roy, Anushree; Midya, A.; Mandal, P.; Grover, Vinita; Tyagi, A. K.

    2017-02-01

    In this article, we report negative thermal expansion and spin frustration in hexagonal GdInO3. Rietveld refinements of the x-ray diffraction patterns reveal that the negative thermal expansion in the temperature range of 50-100 K stems from the triangular lattice of Gd3 + ions. The downward deviation of the low-temperature inverse susceptibility (χ-1) versus T plot from the Curie-Weiss law and the large value of the ratio, | θCW|/ TN>28 , where θCW and TN are respectively Curie-Weiss and Neel temperature, indicate a strong spin frustration, which inhibits long-range magnetic ordering down to 1.8 K. Magnetostriction measurements clearly demonstrate a spin-lattice coupling in the system. Low-temperature anomalous phonon softening, as obtained from temperature-dependent Raman measurements, also reveals the same. Our experimental observations are supported by first-principles density functional theory calculations of the electronic and phonon dispersion in GdInO3. The calculations suggest that the GdInO3 lattice is highly frustrated at low temperature. Further, the calculated normal mode frequencies of the Gd-related Γ point phonon modes reveal significant magnetoelastic coupling in this system. The competitive role of magnetic interaction energy and thermal stabilization energy in determining the change in interatomic distances is the possible origin for the negative thermal expansion in GdInO3 over a limited range of temperature.

  3. Linear and nonlinear obliquely propagating ion-acoustic waves in magnetized negative ion plasma with non-thermal electrons

    NASA Astrophysics Data System (ADS)

    Mishra, M. K.; Jain, S. K.; Jain

    2013-10-01

    Ion-acoustic solitons in magnetized low-β plasma consisting of warm adiabatic positive and negative ions and non-thermal electrons have been studied. The reductive perturbation method is used to derive the Korteweg-de Vries (KdV) equation for the system, which admits an obliquely propagating soliton solution. It is found that due to the presence of finite ion temperature there exist two modes of propagation, namely fast and slow ion-acoustic modes. In the case of slow-mode if the ratio of temperature to mass of positive ion species is lower (higher) than the negative ion species, then there exist compressive (rarefactive) ion-acoustic solitons. It is also found that in the case of slow mode, on increasing the non-thermal parameter (γ) the amplitude of the compressive (rarefactive) soliton decreases (increases). In fast ion-acoustic mode the nature and characteristics of solitons depend on negative ion concentration. Numerical investigation in case of fast mode reveals that on increasing γ, the amplitude of compressive (rarefactive) soliton increases (decreases). The width of solitons increases with an increase in non-thermal parameters in both the modes for compressive as well as rarefactive solitons. There exists a value of critical negative ion concentration (α c ), at which both compressive and rarefactive ion-acoustic solitons appear as described by modified KdV soliton. The value of α c decreases with increase in γ.

  4. Bi-isotropic constitutive relations

    NASA Astrophysics Data System (ADS)

    Sihvola, A. H.; Lindell, I. V.

    1991-03-01

    The constitutive relations of general bi-isotropic media, requiring four material parameters, can be written in different ways to describe their electromagnetic behavior. This communication contains a two-way 'dictionary' between a proposed formulation of the constitutive relations with three other sets of relations, generalized from relations used for chiral materials.

  5. Soliton propagation in an inhomogeneous plasma at critical density of negative ions: Effects of gyratory and thermal motions of ions

    SciTech Connect

    Malik, Hitendra K.; Kawata, Shigeo

    2007-10-15

    The effects of gyratory and thermal motions of ions on soliton propagation in an inhomogeneous plasma that contains positive ions, negative ions, and electrons are studied at a critical density of negative ions. Since at this critical negative ion density the nonlinear term of the relevant Korteweg-deVries (KdV) equation vanishes, a higher order of nonlinearity is considered by retaining higher-order perturbation terms in the expansion of dependent quantities together with the appropriate set of stretched coordinates. Under this situation, time-dependent perturbation leads to the evolution of modified KdV solitons, which are governed by a modified form of the KdV equation that has an additional term due to the density gradient present in the plasma. On the basis of the solution of this equation and obliquely applied magnetic field, the effects of gyratory and thermal motions of ions are analyzed on the soliton propagation for three cases, n{sub n0}n{sub e0}, together with n{sub n0} (n{sub e0}) as the density of negative ions (electrons). The role of the negative ions in the evolution of the modes and the solitons is also discussed. Under the limiting cases, our calculations reduce to the ones obtained by other investigators in the past. This substantiates the generality of the present analysis.

  6. Negative thermal expansion and anomalies of heat capacity of LuB50 at low temperatures

    SciTech Connect

    Novikov, V. V.; Zhemoedov, N. A.; Matovnikov, A. V.; Mitroshenkov, N. V.; Kuznetsov, S. V.; Bud'ko, S. L.

    2015-07-20

    Heat capacity and thermal expansion of LuB50 boride were experimentally studied in the 2–300 K temperature range. The data reveal an anomalous contribution to the heat capacity at low temperatures. The value of this contribution is proportional to the first degree of temperature. It was identified that this anomaly in heat capacity is caused by the effect of disorder in the LuB50 crystalline structure and it can be described in the soft atomic potential model (SAP). The parameters of the approximation were determined. The temperature dependence of LuB50 heat capacity in the whole temperature range was approximated by the sum of SAP contribution, Debye and two Einstein components. The parameters of SAP contribution for LuB50 were compared to the corresponding values for LuB66, which was studied earlier. Negative thermal expansion at low temperatures was experimentally observed for LuB50. The analysis of the experimental temperature dependence for the Gruneisen parameter of LuB50 suggested that the low-frequency oscillations, described in SAP mode, are responsible for the negative thermal expansion. As a result, the glasslike character of the behavior of LuB50 thermal characteristics at low temperatures was confirmed.

  7. First-principles mode Gruneisen parameters and negative thermal expansion in α-ZrW2O8.

    PubMed

    Gava, V; Martinotto, A L; Perottoni, C A

    2012-11-09

    Mode Grüneisen parameters were estimated for α-ZrW(2)O(8) zone-center modes by means of density functional theory calculations and the temperature dependence of the coefficient of thermal expansion was obtained according to the Debye-Einstein model of the quasiharmonic approximation. The lowest energy optic modes were identified at 45 and 46 cm(-1), and were shown to be the main modes responsible for negative thermal expansion at low temperature. Experimental evidence of the lowest energy, triply degenerated infrared active optic mode, was also found in the far infrared spectrum of α-ZrW(2)O(8). Upon increasing temperature, other optic modes with E<25 meV (particularly at 96, 100, 133, 161, and 164 cm(-1)) also contribute significantly to the coefficient of thermal expansion near room temperature. An analysis was made of selected zone-center modes in light of previously proposed models for explaining negative thermal expansion in open framework materials.

  8. Spherical 3D isotropic wavelets

    NASA Astrophysics Data System (ADS)

    Lanusse, F.; Rassat, A.; Starck, J.-L.

    2012-04-01

    Context. Future cosmological surveys will provide 3D large scale structure maps with large sky coverage, for which a 3D spherical Fourier-Bessel (SFB) analysis in spherical coordinates is natural. Wavelets are particularly well-suited to the analysis and denoising of cosmological data, but a spherical 3D isotropic wavelet transform does not currently exist to analyse spherical 3D data. Aims: The aim of this paper is to present a new formalism for a spherical 3D isotropic wavelet, i.e. one based on the SFB decomposition of a 3D field and accompany the formalism with a public code to perform wavelet transforms. Methods: We describe a new 3D isotropic spherical wavelet decomposition based on the undecimated wavelet transform (UWT) described in Starck et al. (2006). We also present a new fast discrete spherical Fourier-Bessel transform (DSFBT) based on both a discrete Bessel transform and the HEALPIX angular pixelisation scheme. We test the 3D wavelet transform and as a toy-application, apply a denoising algorithm in wavelet space to the Virgo large box cosmological simulations and find we can successfully remove noise without much loss to the large scale structure. Results: We have described a new spherical 3D isotropic wavelet transform, ideally suited to analyse and denoise future 3D spherical cosmological surveys, which uses a novel DSFBT. We illustrate its potential use for denoising using a toy model. All the algorithms presented in this paper are available for download as a public code called MRS3D at http://jstarck.free.fr/mrs3d.html

  9. Structure and negative thermal expansion in the PbTiO3-BiFeO3 system

    NASA Astrophysics Data System (ADS)

    Chen, J.; Xing, X. R.; Liu, G. R.; Li, J. H.; Liu, Y. T.

    2006-09-01

    The structures of (1-x)PbTiO3-xBiFeO3 (x =0.3 and 0.6) were investigated by means of the neutron powder diffraction. A splitting shift between Fe and Ti atoms was found along the c axis in 0.7PbTiO3-0.3BiFeO3; however, this splitting does not appear in 0.4PbTiO3-0.6BiFeO3. The tetragonal phase of PbTiO3-BiFeO3 exhibits a large spontaneous polarization. The negative thermal expansion of PbTiO3 is significantly enhanced in a wide temperature range by the BiFeO3 substitution. The average bulk thermal expansion coefficient of 0.4PbTiO3-0.6BiFeO3 is a¯v=-3.92×10-5°C-1, which is much strong in the known negative thermal expansion oxides.

  10. Unusual transformation from strong negative to positive thermal expansion in PbTiO3-BiFeO3 perovskite.

    PubMed

    Chen, Jun; Fan, Longlong; Ren, Yang; Pan, Zhao; Deng, Jinxia; Yu, Ranbo; Xing, Xianran

    2013-03-15

    Tetragonal PbTiO(3)-BiFeO(3) exhibits a strong negative thermal expansion in the PbTiO(3)-based ferroelectrics that consist of one branch in the family of negative thermal expansion materials. Its strong negative thermal expansion is much weakened, and then unusually transforms into positive thermal expansion as the particle size is slightly reduced. This transformation is a new phenomenon in the negative termal expansion materials. The detailed structure, temperature dependence of unit cell volume, and lattice dynamics of PbTiO(3)-BiFeO(3) samples were studied by means of high-energy synchrotron powder diffraction and Raman spectroscopy. Such unusual transformation from strong negative to positive thermal expansion is highly associated with ferroelectricity weakening. An interesting zero thermal expansion is achieved in a wide temperature range (30-500 °C) by adjusting particle size due to the negative-to-positive transformation character. The present study provides a useful method to control the negative thermal expansion not only for ferroelectrics but also for those functional materials such as magnetics and superconductors.

  11. Unusual Transformation from Strong Negative to Positive Thermal Expansion in PbTiO3-BiFeO3 Perovskite

    NASA Astrophysics Data System (ADS)

    Chen, Jun; Fan, Longlong; Ren, Yang; Pan, Zhao; Deng, Jinxia; Yu, Ranbo; Xing, Xianran

    2013-03-01

    Tetragonal PbTiO3-BiFeO3 exhibits a strong negative thermal expansion in the PbTiO3-based ferroelectrics that consist of one branch in the family of negative thermal expansion materials. Its strong negative thermal expansion is much weakened, and then unusually transforms into positive thermal expansion as the particle size is slightly reduced. This transformation is a new phenomenon in the negative termal expansion materials. The detailed structure, temperature dependence of unit cell volume, and lattice dynamics of PbTiO3-BiFeO3 samples were studied by means of high-energy synchrotron powder diffraction and Raman spectroscopy. Such unusual transformation from strong negative to positive thermal expansion is highly associated with ferroelectricity weakening. An interesting zero thermal expansion is achieved in a wide temperature range (30-500°C) by adjusting particle size due to the negative-to-positive transformation character. The present study provides a useful method to control the negative thermal expansion not only for ferroelectrics but also for those functional materials such as magnetics and superconductors.

  12. Zirconium tungstate/epoxy resin nanocomposites with negative coefficient of thermal expansion for all-dielectric cryogenic temperature sensors

    NASA Astrophysics Data System (ADS)

    See, Erich; Kochergin, Vladimir; Neely, Lauren; Zayetnikov, Madrakhim; Ciovati, Gianluigi; Robinson, Hans

    2012-02-01

    The α-phase of zirconium tungstate (ZrW2O8) has the remarkable property that its coefficient of thermal expansion (CTE) is negative over its entire range of thermal stability (0-1050K), and through this range it has a nearly constant negative CTE. When ZrW2O8 nanoparticles are mixed into a polymer resin, the resulting composite has a reduced CTE when compared with that of the pure polymer. However, previous research on such composites has occurred only near room temperature. We show that at cryogenic temperatures, it is possible to make ZrW2O8/resin nanocomposites with negative CTE. By coating a fiber-optic Bragg grating with such a composite, we were able to create an all-optical temperature sensor without the use of metals, which would be of particular use in superconducting RF cavities. The sensor has sensitivity down to at least 2 K, six times lower than previous fiber-optic temperature sensors.

  13. Dehydration of Octacyanido-Bridged Ni(II)-W(IV) Framework toward Negative Thermal Expansion and Magneto-Colorimetric Switching.

    PubMed

    Reczyński, Mateusz; Chorazy, Szymon; Nowicka, Beata; Sieklucka, Barbara; Ohkoshi, Shin-Ichi

    2017-01-03

    An inorganic three-dimensional [Ni(II)(H2O)2]2[W(IV)(CN)8]·4H2O (1) framework undergoes a single-crystal-to-single-crystal transformation upon thermal dehydration, producing a fully anhydrous phase Ni(II)2[W(IV)(CN)8] (1d). The dehydration process induces changes in optical, magnetic, and thermal expansion properties. While 1 reveals typical positive thermal expansion of the crystal lattice, greenish-yellow color, and paramagnetic behavior, 1d is the first ever reported octacyanido-based solid revealing negative thermal expansion, also exhibiting a deep red color and diamagnetism. Such drastic shift in the physical properties is explained by the removal of water molecules, leaving the exclusively cyanido-bridged bimetallic network, which is accompanied by the transformation of the octahedral paramagnetic [Ni(II)(H2O)2(NC)4](2-) to the square-planar diamagnetic [Ni(II)(NC)4](2-) moieties.

  14. The effect of a negative Poisson’s ratio on thermal stresses in cellular metallic structures

    NASA Astrophysics Data System (ADS)

    Adler, L.; Warmuth, F.; Lodes, M. A.; Osmanlic, F.; Körner, C.

    2016-11-01

    To investigate the influence of auxetic behavior on thermally induced stresses, finite element analysis simulations of the displacement and stress fields in locally heated three dimensional auxetic and cubic structures are compared. The simulations were carried out in Comsol for a cubic as well as a chiral array of 30 mm length in each spatial dimension (3 × 3 × 3 unit cells). The center cells of these arrays were heated for 20 s. For two boundary conditions (free and clamped), deformation mechanisms are analyzed. It is found, that the auxetic behavior can effectively reduce thermal stresses by internal node rotation and strut bending, especially for constrained (clamped) boundary conditions. A stress reduction of a factor of 3.3 in comparisons to a simple cubic cell array could be evaluated.

  15. Negative thermal expansion and photoluminescence properties in a novel material ZrScW2PO12

    NASA Astrophysics Data System (ADS)

    Ge, Xianghong; Liu, Xiansheng; Cheng, Yongguang; Yuan, Baohe; Chen, Dongxia; Chao, Mingju; Guo, Juan; Wang, Junqiao; Liang, Erjun

    2016-11-01

    A novel material, ZrScW2PO12, with negative thermal expansion (NTE) behavior, at least from 138 to 1300 K, and intense photoluminescence (PL) property is first reported in this paper. Temperature dependent Raman and PL spectral studies indicate that the material holds an orthorhombic structure down to about 74 K and exhibits NTE property in the temperature range. The intense PL covering nearly the whole visible region was observed and can be deconvoluted into four bands, which present different shifts with elevation of temperature. The abundant optical property may be attributed to n- and p-type like co-doping effect and the specific structure with the abnormal thermal expansion property of the material. The integrated properties might suggest potential applications of this material in light emitting diodes and other light emitting devices.

  16. Negative differential resistance induced by thermalization of two-dimensional electrons in terahertz quantum-well photodetectors

    NASA Astrophysics Data System (ADS)

    Guo, X. G.; Gu, L. L.; Dong, M.; Cao, J. C.; Liu, H. C.; Guo, F. M.

    2013-05-01

    Negative differential resistance (NDR) behavior existing in dark current-voltage (IV) curves of terahertz quantum-well photodetectors (QWPs) is theoretically investigated. Due to electron-electron scattering, the localized two-dimensional (2D) electrons in terahertz QWPs are thermalized. In steady state, the effective temperature of the 2D electrons is found to be higher than that of lattice. A self-consistent model is used to simulate the dark IV curves of terahertz QWPs, taking into account the thermalization effect of the 2D electrons. The NDR behavior is qualitatively reproduced. The periodic structures of electric-field domain and 2D electron occupation are formed in the NDR regime. The improved self-consistent model is useful for further understanding of the electron transport properties and improving the performance of terahertz QWPs.

  17. A Transversely Isotropic Thermoelastic Theory

    NASA Technical Reports Server (NTRS)

    Arnold, S. M.

    1989-01-01

    A continuum theory is presented for representing the thermoelastic behavior of composites that can be idealized as transversely isotropic. This theory is consistent with anisotropic viscoplastic theories being developed presently at NASA Lewis Research Center. A multiaxial statement of the theory is presented, as well as plane stress and plane strain reductions. Experimental determination of the required material parameters and their theoretical constraints are discussed. Simple homogeneously stressed elements are examined to illustrate the effect of fiber orientation on the resulting strain distribution. Finally, the multiaxial stress-strain relations are expressed in matrix form to simplify and accelerate implementation of the theory into structural analysis codes.

  18. Are random fractal clusters isotropic\\?

    NASA Astrophysics Data System (ADS)

    Family, Fereydoon; Vicsek, Tamás; Meakin, Paul

    1985-08-01

    We have studied the shape of large clusters in the lattice-animal, percolation, and growing-percolation models. By calculating the radius of gyration tensor we find that in these models the clusters have an anisotropic shape. The results suggest that the critical droplets in related isotropic equilibrium models, such as the Ising model, may also be anisotropic. We have also determined the leading nonanalytic correction-to-scaling exponent by analyzing the anisotropy data and find that for percolation in two dimensions e~=0.47. .AE

  19. Magnetic structure and local lattice distortion in giant negative thermal expansion material Mn3Cu1-xGexN

    NASA Astrophysics Data System (ADS)

    Iikubo, S.; Kodama, K.; Takenaka, K.; Takagi, H.; Shamoto, S.

    2010-11-01

    Magnetic and local structures in an antiperovskite system, Mn3Cu1-xGexN, with a giant negative thermal expansion have been studied by neutron powder diffraction measurement. We discuss (1) an importance of an averaged cubic crystal structure and a ΓG5g antiferromagnetic spin structure for the large magneto-volume effect (MVE) in this itinerant electron system, (2) an unique role of a local lattice distortion well described by the low temperature tetragonal structure of Mn3GeN for the broadening of MVE.

  20. The evolution of magnetic transitions, negative thermal expansion and unusual electronic transport properties in Mn3AgxMnyN

    NASA Astrophysics Data System (ADS)

    Deng, Sihao; Sun, Ying; Yan, Jun; Shi, Zaixing; Shi, Kewen; Wang, Lei; Hu, Pengwei; Malik, Muhammad Imran; Wang, Cong

    2015-11-01

    The antiperovskite compounds Mn3AgxMnyN with Ag vacancies and Mn doping at Ag site were synthesized and investigated. The introduction of Ag vacancies has a very small influence on magnetic transitions. However, the magnetic transitions at TN (Néel temperature) and Tt (transition at lower temperature) gradually overlap with Mn doping accompanied by broadening of negative thermal expansion behavior. We also observed the nearly zero temperature coefficient of resistivity (NZ-TCR) behavior above magnetic order-disorder transition. The tunable TCR values from positive to negative could be achieved in Mn3AgxMnyN by reducing the contribution of (electron-phonon) e-p scattering in resistivity. Our results reveal the significance of e-p scattering for the evolution of TCR values, which could enrich the understanding of NZ-TCR behavior in antiperovskite manganese nitrides.

  1. Complex oxide with negative thermal expansion for producing ceramic matrix composites with invar effect

    NASA Astrophysics Data System (ADS)

    Dedova, Elena S.; Pertushina, Mariya U.; Kondratenko, Anton I.; Gorev, Mikhail V.; Kulkov, Sergei N.

    2016-11-01

    The article investigates the phase composition of (Al2O3-20 wt % ZrO2)-ZrW2O8 ceramic composites obtained by cold-pressing and sintering processes. Using X-ray analysis it has been shown that composites mainly have monoclinic modification of zirconium dioxide and orthorhombic phase of aluminum oxide. After adding zirconium tungstate the phase composition of sintered ceramics changes, followed by the formation of tungsten-aluminates spinel such as Alx(WOy)z. It has been shown that thermal expansion coefficient of material decreases approximatly by 30%, as compared with initial ceramics.

  2. Thermal-to-electrical energy conversion by diodes under negative illumination

    NASA Astrophysics Data System (ADS)

    Santhanam, Parthiban; Fan, Shanhui

    2016-04-01

    We consider an infrared photodiode under negative illumination, wherein the photodiode is maintained at a temperature T and radiatively exposed to an emissive body colder than itself. We experimentally demonstrate that a diode under such conditions can generate electrical power. We show theoretically that the efficiency of energy conversion can approach the Carnot limit. This work is applicable to waste heat recovery as well as emerging efforts to utilize the cold dark universe as a thermodynamic resource for renewable energy.

  3. Systems with negative specific heat in thermal contact: Violation of the zeroth law

    NASA Astrophysics Data System (ADS)

    Ramírez-Hernández, A.; Larralde, H.; Leyvraz, F.

    2008-12-01

    Using both numerical simulations and exact expressions for the free energy and microcanonical entropy for a modified Hamiltonian mean-field (HMF) model, we show that when two similar systems with the same intensive parameters but with negative specific heat are weakly coupled, they undergo a process in which the total entropy increases irreversibly. We find that the final equilibrium is such that two phases appear at a temperature (equal in both systems) that is generally different from the initial temperature. We corroborate our results using two different kinds of couplings between the HMF systems. We confirm that our results hold also for the Ising model with long- and short-range interactions, which also has a parameter region with negative specific heat in the microcanonical ensemble. Further, we show that we can couple each system having negative specific heat to a third system that can be used as a thermometer, as long as this thermometer is small enough not to drive the system out of the microcanonical ensemble. Therefore, we show an instance of violation of the zeroth law of thermodynamics.

  4. Thermal stability of disordered carbon negative-electrode materials prepared from peanut shells

    NASA Astrophysics Data System (ADS)

    Watanabe, Izumi; Doi, Takayuki; Yamaki, Jun-ichi; Lin, Y. Y.; Fey, George Ting-Kuo

    The thermal stability of electrochemically lithiated disordered carbon with a poly(vinylidene difluoride) binder and 1 mol dm -3 LiPF 6 dissolved in a mixture of ethylene carbonate (EC) and diethyl carbonate (DEC) was investigated by differential scanning calorimetry (DSC) using a hermetically sealed pan. The disordered carbon used was prepared by pyrolyzing peanut shells with porogen at temperatures above 500 °C. The disordered carbon gave much larger charge and discharge capacities than graphite when a weight ratio of porogen to peanut shells was set at 5. In DSC curves, several exothermic peaks were observed at temperatures ranging from 120 to 310 °C. This behavior was similar to that for electrochemically lithiated graphite, except for an exothermic peak at around 250 °C. However, the lithiated disordered carbon had a higher heat value, which was evaluated by integrating a DSC curve, compared to lithiated graphite. The heat values increased with an increase in accumulated irreversible capacities. These results suggest that heat generation at elevated temperatures should increase as an amount of irreversibly trapped lithium-ion increases. On the other hand, heat values per reversible capacities for disordered carbon, which showed larger capacities than graphite, were almost comparable to that for graphite. These results indicate that several types of disordered carbon showed larger capacity than graphite, while their thermal stability was lowered accordingly.

  5. Sub-100nm gold nanomatryoshkas improve photo-thermal therapy efficacy in large and highly aggressive triple negative breast tumors.

    PubMed

    Ayala-Orozco, Ciceron; Urban, Cordula; Bishnoi, Sandra; Urban, Alexander; Charron, Heather; Mitchell, Tamika; Shea, Martin; Nanda, Sarmistha; Schiff, Rachel; Halas, Naomi; Joshi, Amit

    2014-10-10

    There is an unmet need for efficient near-infrared photothermal transducers for the treatment of highly aggressive cancers and large tumors where the penetration of light can be substantially reduced, and the intra-tumoral nanoparticle transport is restricted due to the presence of hypoxic or necrotic regions. We report the performance advantages obtained by sub 100nm gold nanomatryushkas, comprising concentric gold-silica-gold layers compared to conventional ~150nm silica core gold nanoshells for photothermal therapy of triple negative breast cancer. We demonstrate that a 33% reduction in silica-core-gold-shell nanoparticle size, while retaining near-infrared plasmon resonance, and keeping the nanoparticle surface charge constant, results in a four to five fold tumor accumulation of nanoparticles following equal dose of injected gold for both sizes. The survival time of mice bearing large (>1000mm(3)) and highly aggressive triple negative breast tumors is doubled for the nanomatryushka treatment group under identical photo-thermal therapy conditions. The higher absorption cross-section of a nanomatryoshka results in a higher efficiency of photonic to thermal energy conversion and coupled with 4-5× accumulation within large tumors results in superior therapy efficacy.

  6. Sub-100 nm Gold Nanomatryoshkas Improve Photo-thermal Therapy Efficacy in Large and Highly Aggressive Triple Negative Breast Tumors

    PubMed Central

    Bishnoi, Sandra; Urban, Alexander; Charron, Heather; Mitchell, Tamika; Shea, Martin; Nanda, Sarmistha; Schiff, Rachel; Halas, Naomi; Joshi, Amit

    2014-01-01

    There is an unmet need for efficient near-infrared photothermal transducers for the treatment of highly aggressive cancers and large tumors where the penetration of light can be substantially reduced, and the intra-tumoral nanoparticle transport is restricted due to the presence of hypoxic or nectrotic regions. We report the performance advantages obtained by sub 100 nm gold nanomatryushkas, comprising of concentric gold-silica-gold layers compared to conventional ~150 nm silica core gold nanoshells for photothermal therapy of triple negative breast cancer. We demonstrate that a 33% reduction in silica-core-gold-shell nanoparticle size, while retaining near-infrared plasmon resonance, and keeping the nanoparticle surface charge constant, results in a four to five fold tumor accumulation of nanoparticles following equal dose of injected gold for both sizes. The survival time of mice bearing large (>1000 mm3) and highly aggressive triple negative breast tumors is doubled for the nanomatryushka treatment group under identical photo-thermal therapy conditions. The higher absorption cross-section of a nanomatryoshka results in a higher efficiency of photonic to thermal energy conversion and coupled with 4-5X accumulation within large tumors results in superior therapy efficacy. PMID:25051221

  7. Electron Thermal Transport Barrier and Magnetohydrodynamic Activity Observed in Tokamak Plasmas with Negative Central Shear

    SciTech Connect

    de Baar, M.R.; Hogeweij, G.M.; Lopes Cardozo, N.J.; Oomens, A.A.; Schueller, F.C.

    1997-06-01

    In the Rijnhuizen Tokamak Project, plasmas with steady-state negative central shear (NCS) are made with off-axis electron cyclotron heating. Shifting the power deposition by 2mm results in a sharp transition of confinement. The good confinement branch features a transport barrier at the off-axis minimum of the safety factor (q) , where q{le}3, and two magnetohydrodynamic (MHD) instabilities, where one is localized at the off-axis minimum of q and one covers the entire NCS region. The low confinement branch has q{gt}3 everywhere, no transport barrier, and no MHD activity. {copyright} {ital 1997} {ital The American Physical Society}

  8. Viscous propulsion in active transversely isotropic media

    NASA Astrophysics Data System (ADS)

    Cupples, G.; Dyson, R. J.; Smith, D. J.

    2017-02-01

    Taylor's swimming sheet is a classical model of microscale propulsion and pumping. Many biological fluids and substances are fibrous, having a preferred direction in their microstructure; for example cervical mucus is formed of polymer molecules which create an oriented fibrous network. Moreover, suspensions of elongated motile cells produce a form of active oriented matter. To understand how these effects modify viscous propulsion, we extend Taylor's classical model of small-amplitude zero-Reynolds-number propulsion of a 'swimming sheet' via the transversely-isotropic fluid model of Ericksen, which is linear in strain rate and possesses a distinguished direction. The energetic costs of swimming are significantly altered by all rheological parameters and the initial fibre angle. Propulsion in a passive transversely-isotropic fluid produces an enhanced mean rate of working, independent of the initial fibre orientation, with an approximately linear dependence of energetic cost on the extensional and shear enhancements to the viscosity caused by fibres. In this regime the mean swimming velocity is unchanged from the Newtonian case. The effect of the constant term in Ericksen's model for the stress, which can be identified as a fibre tension or alternatively a stresslet characterising an active fluid, is also considered. This stress introduces an angular dependence and dramatically changes the streamlines and flow field; fibres aligned with the swimming direction increase the energetic demands of the sheet. The constant fibre stress may result in a reversal of the mean swimming velocity and a negative mean rate of working if sufficiently large relative to the other rheological parameters.

  9. (Pb,Cd)-O covalency in PbTiO3-CdTiO3 with enhanced negative thermal expansion.

    PubMed

    Wang, Fangfang; Xie, Ying; Chen, Jun; Fu, Honggang; Xing, Xianran

    2014-03-21

    Recently experiments have found that negative thermal expansion is a common phenomenon in PbTiO3-based materials, and their negative thermal expansion is affected by various substitutions. Interestingly, Cd substitution in PbTiO3 has a unique effect in enhancing negative thermal expansion compared with any other A-site substitutions. Therefore, studying Cd substitution in PbTiO3, the role of which still remains unclear, would bring us deeper understanding on the nature of the negative thermal expansion of PbTiO3-based materials. Structure calculations, density of states, Bader analysis and the minimum electron density of Pb1-xCdxTiO3 supercells have been reported on the chemical bond through first-principles calculations here. We found that the hybridization between (Pb,Cd)-O orbitals exists in tetragonal phase. Furthermore, the hybridization between Cd-O orbitals is stronger than that between Pb-O orbitals, and Cd-O covalency promotes the average A-site hybridization. Simultaneously, the average bulk coefficient of thermal expansion is negative and inversely proportional to the Cd substitution amount. So, (Pb,Cd)-O covalency in the tetragonal Pb1-xCdxTiO3 is responsible for the nature of enhanced negative thermal expansion in accordance with our previous experimental investigations.

  10. Controlling elastic waves with isotropic materials

    NASA Astrophysics Data System (ADS)

    Chang, Zheng; Hu, Jin; Hu, Gengkai; Tao, Ran; Wang, Yue

    2011-03-01

    Design of functional devices with isotropic materials has significant advantages, as regards easy fabrication and broadband application. In this letter, we present a method to derive isotropic transformation material parameters for elastodynamics under local conformal transformation. The transformed material parameters are then applied to design a beam bender, a four-beam antenna and an approximate carpet cloak for elastic wave with isotropic materials, validated by the numerical simulations.

  11. Colossal positive and negative thermal expansion and thermosalient effect in a pentamorphic organometallic martensite.

    PubMed

    Panda, Manas K; Runčevski, Tomče; Sahoo, Subash Chandra; Belik, Alexei A; Nath, Naba K; Dinnebier, Robert E; Naumov, Panče

    2014-09-04

    The thermosalient effect is an extremely rare propensity of certain crystalline solids for self-actuation by elastic deformation or by a ballistic event. Here we present direct evidence for the driving force behind this impressive crystal motility. Crystals of a prototypical thermosalient material, (phenylazophenyl)palladium hexafluoroacetylacetonate, can switch between five crystal structures (α-ε) that are related by four phase transitions including one thermosalient transition (α↔γ). The mechanical effect is driven by a uniaxial negative expansion that is compensated by unusually large positive axial expansion (260 × 10(-6)  K(-1)) with volumetric expansion coefficients (≈250 × 10(-6)  K(-1)) that are among the highest values reported in molecular solids thus far. The habit plane advances at ~10(4) times the rate observed with non-thermosalient transitions. This rapid expansion of the crystal following the phase switching is the driving force for occurrence of the thermosalient effect.

  12. Measuring isotropic subsurface light transport.

    PubMed

    Happel, Kathrin; Dörsam, Edgar; Urban, Philipp

    2014-04-21

    Subsurface light transport can affect the visual appearance of materials significantly. Measuring and modeling this phenomenon is crucial for accurately reproducing colors in printing or for rendering translucent objects on displays. In this paper, we propose an apparatus to measure subsurface light transport employing a reference material to cancel out adverse signals that may bias the results. In contrast to other approaches, the setup enables improved focusing on rough surfaces (e.g. uncoated paper). We derive a measurement equation that may be used to deduce the point spread function (PSF) of subsurface light transport. Main contributions are the usage of spectrally-narrowband exchangeable LEDs allowing spectrally-resolved measurements and an approach based on quadratic programming for reconstructing PSFs in the case of isotropic light transport.

  13. Scaling and intermittency in compressible isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Wang, Jianchun; Gotoh, Toshiyuki; Watanabe, Takeshi

    2017-05-01

    Scaling and intermittency in compressible isotropic turbulence at the turbulent Mach number Mt ranging from 0.5 to 1.0 are studied by using numerical simulations with solenoidal forcing. Linear relations between the structure functions of the compressible velocity component and those of thermodynamic variables are modeled based on the shock jump conditions and are verified by numerical simulations. At a turbulent Mach number around 1.0, the relative scaling exponent of the structure functions saturates with an increase of the order. After proper normalization, the tails of the probability density functions (PDFs) of the increments of the compressible velocity component and thermodynamic variables overlap one another for different separations. Moreover, we study the conditional PDFs of the increments with respect to the shocklet. Linear relations between the tails of unconditional PDFs and conditional PDFs are established. The shocklet plays an important role in the determination of the PDF tails. The compressible velocity increment is decomposed into a negative component and a positive component. The negative component of the compressible velocity increment exhibits a scaling behavior with the saturation of the scaling exponent at high orders, which is similar to the Burgers turbulence, while the positive component of the compressible velocity increment exhibits a power-law scaling behavior, which is similar to the incompressible turbulence.

  14. Macroscopic simulation of isotropic permanent magnets

    NASA Astrophysics Data System (ADS)

    Bruckner, Florian; Abert, Claas; Vogler, Christoph; Heinrichs, Frank; Satz, Armin; Ausserlechner, Udo; Binder, Gernot; Koeck, Helmut; Suess, Dieter

    2016-03-01

    Accurate simulations of isotropic permanent magnets require to take the magnetization process into account and consider the anisotropic, nonlinear, and hysteretic material behaviour near the saturation configuration. An efficient method for the solution of the magnetostatic Maxwell equations including the description of isotropic permanent magnets is presented. The algorithm can easily be implemented on top of existing finite element methods and does not require a full characterization of the hysteresis of the magnetic material. Strayfield measurements of an isotropic permanent magnet and simulation results are in good agreement and highlight the importance of a proper description of the isotropic material.

  15. Dielectrophoretic manipulation of nematic and isotropic droplets

    NASA Astrophysics Data System (ADS)

    Lee, Bomi; Song, Jang-Kun

    2016-03-01

    Dielectrophoresis can provide a delicate tool to control electrically neutral particles in colloid. The dielectrophoresis is usually applied to solid particles or heterogeneous liquid droplet in continuous liquid, but we devised and investigated the dielectrophoresis of isotropic droplets within nematic phase or vice versa. Using multi-components liquid crystal mixtures that exhibit relatively wide temperature range of nematic-isotropic coexistence, we achieved a field-induced phase separation between isotropic and nematic. We also fabricated the isotropic-nematic filaments that was achieved using a biased surface preference for either isotropic or nematic phase of the alignment layer [1]. The dielectrophoresis manipulations of isotropic and nematic droplets required much lower voltage compared to that for the electro wetting type devices. In addition, we observed the bi-directional actuation of isotropic droplets using anisotropic dielectric property of liquid crystal, which is not possible in usual dielectrophoresis. The bidirectional actuation was achieved by controlling the LC director within the cell so as to change the sign of the difference between the effective dielectric constant of nematic and isotropic liquid crystals. We simulated the bi-directional dielectrophoresis by performing the LC director calculation and the corresponding dielectrophoresis. The simulation results matched well with the experimental data. Thus, the bi-directional dielectrophoresis using isotropic and nematic droplets may open new possibility of electro- optical applications using liquid crystals.

  16. Anisotropic elastic modulus, high Poisson's ratio and negative thermal expansion of graphynes and graphdiynes

    NASA Astrophysics Data System (ADS)

    Hernandez, Sergio A.; Fonseca, Alexandre F.

    2017-08-01

    Graphyne (GY) and graphdiyne (GDY) are two-dimensional one-atom-thick carbon allotropes highly considered to substitute graphene in electronic applications because of the prediction of non null band-gap. There are seven types of GY structures not yet fully investigated in literature. In this work, by means of classical molecular dynamics simulations, the Young's modulus, Poisson's ratio and linear thermal expansion coefficient (TEC) of all originally proposed seven types of GYs and corresponding GDYs are calculated. The dependence of these properties with the density of the structure is investigated for the first time. Quadratic increasing of the TEC of GY and GDY structures with density was found. The elastic modulus of GYs and GDYs were shown to be more sensitive to their density than general porous materials. In particular, non-symmetric structures are much softer along the armchair direction than along zigzag direction, implying that the elasticity along armchair direction of GY and GDY structures are similar to that of porous gels materials. Values larger than unity were found for the Poisson's ratio of some non-symmetric GYs and GDYs. A simple honeycomb mechanical model is shown to capture the observed values of Poisson's ratio of GYs and GDYs.

  17. Composition, response to pressure, and negative thermal expansion in MIIBIVF6 (M = Ca, Mg; B = Zr, Nb) [Composition, response to pressure, and negative thermal expansion in AIIBIVF6; A - Ca, Mg, B - Zr, Nb

    DOE PAGES

    Hester, Brett R.; Hancock, Justin C.; Lapidus, Saul H.; ...

    2016-12-27

    CaZrF6 has recently been shown to combine strong negative thermal expansion (NTE) over a very wide temperature range (at least 10–1000 K) with optical transparency from mid-IR into the UV range. Variable-temperature and high-pressure diffraction has been used to determine how the replacement of calcium by magnesium and zirconium by niobium(IV) modifies the phase behavior and physical properties of the compound. Similar to CaZrF6, CaNbF6 retains a cubic ReO3-type structure down to 10 K and displays NTE up until at least 900 K. It undergoes a reconstructive phase transition upon compression to ~400 MPa at room temperature and pressure-induced amorphization above ~4 GPa. Prior to the first transition, it displays very strong pressure-induced softening. MgZrF6 adopts a cubic (Fmmore » $$\\bar{3}$$m) structure at 300 K and undergoes a symmetry-lowering phase transition involving octahedral tilts at ~100 K. Immediately above this transition, it shows modest NTE. Its’ thermal expansion increases upon heating, crossing through zero at ~500 K. Unlike CaZrF6 and CaNbF6, it undergoes an octahedral tilting transition upon compression (~370 MPa) prior to a reconstructive transition at ~1 GPa. Cubic MgZrF6 displays both pressure-induced softening and stiffening upon heating. MgNbF6 is cubic (Fm$$\\bar{3}$$m) at room temperature, but it undergoes a symmetry-lowering octahedral tilting transition at ~280 K. It does not display NTE within the investigated temperature range (100–950 K). Furthermore the replacement of Zr(IV) by Nb(IV) leads to minor changes in phase behavior and properties, the replacement of the calcium by the smaller and more polarizing magnesium leads to large changes in both phase behavior and thermal expansion.« less

  18. Atomistic Modeling of the Negative Thermal Expansion in δ- Plutonium Based on the Two-State Description.

    PubMed

    Lee, Tongsik; Baskes, Michael I; Lawson, A C; Chen, Shao Ping; Valone, Steven M

    2012-06-07

    The δ phase of plutonium with the fcc structure exhibits an unusual negative thermal expansion (NTE) over its narrow temperature range of stability, 593-736 K. An accurate description of the anomalous high-temperature volume effect of plutonium goes beyond the current capability of electronic-structure calculations. We propose an atomistic scheme to model the thermodynamic properties of δ-Pu based on the two-state model of Weiss for the Invar alloys, inspired by the simple free-energy analysis previously conducted by Lawson et al. The two-state mechanism is incorporated into the atomistic description of a many-body interacting system. Two modified embedded atom method potentials are employed to represent the binding energies of two competing electronic states in δ-Pu. We demonstrate how the NTE takes place in δ-Pu by means of Monte Carlo simulations implemented with the two-state mechanism.

  19. Local Lattice Distortion in the Giant Negative Thermal Expansion Material Mn3Cu1-xGexN

    NASA Astrophysics Data System (ADS)

    Iikubo, S.; Kodama, K.; Takenaka, K.; Takagi, H.; Takigawa, M.; Shamoto, S.

    2008-11-01

    Giant negative thermal expansion is achieved in antiperovskite manganese nitrides when the sharp volume change associated with magnetic ordering is broadened by substitution. In this Letter, we address the unique role of the ‘‘magic” element, Ge, for such broadening in Mn3Cu1-xGexN. We present evidence for a local lattice distortion well described by the low-temperature tetragonal (T4) structure of Mn3GeN for a range of x, where the overall structure remains cubic. This structural instability shows a strong correlation with the broadness of the growth of the ordered magnetic moment and, hence, is considered to trigger the broadening of the volume change.

  20. Negative Thermal Expansion in Ba0.5Sr0.5Zn2SiGeO7

    PubMed Central

    Thieme, Christian; Rüssel, Christian

    2016-01-01

    Solid solutions with the composition Ba0.5Sr0.5Zn2Si2-xGexO7 and BaZn2Si2-xGexO7 were prepared with different values of x using a conventional mixed oxide route. Both compounds exhibit very different thermal expansion, which is due to the different crystal structures. Ba0.5Sr0.5Zn2Si2-xGexO7 solid solutions exhibit the structure of high-temperature BaZn2Si2O7 and show negative thermal expansion, which was proven via high-temperature X-ray diffraction. Up to around x = 1, the crystal structure remains the same. Above this value, the low-temperature phase becomes stable. The Sr-free solid solutions have the crystal structure of low-temperature BaZn2Si2O7 and show also a limited solubility of Ge. These Sr-free compositions show transitions of low- to high-temperature phases, which are shifted to higher temperatures with increasing Ge-concentration. PMID:28773746

  1. Negative Thermal Expansion in Ba0.5Sr0.5Zn₂SiGeO₇.

    PubMed

    Thieme, Christian; Rüssel, Christian

    2016-07-27

    Solid solutions with the composition Ba0.5Sr0.5Zn₂Si2-xGexO₇ and BaZn₂Si2-xGexO₇ were prepared with different values of x using a conventional mixed oxide route. Both compounds exhibit very different thermal expansion, which is due to the different crystal structures. Ba0.5Sr0.5Zn₂Si2-xGexO₇ solid solutions exhibit the structure of high-temperature BaZn₂Si₂O₇ and show negative thermal expansion, which was proven via high-temperature X-ray diffraction. Up to around x = 1, the crystal structure remains the same. Above this value, the low-temperature phase becomes stable. The Sr-free solid solutions have the crystal structure of low-temperature BaZn₂Si₂O₇ and show also a limited solubility of Ge. These Sr-free compositions show transitions of low- to high-temperature phases, which are shifted to higher temperatures with increasing Ge-concentration.

  2. Light-Steered Isotropic Semiconductor Micromotors.

    PubMed

    Chen, Chuanrui; Mou, Fangzhi; Xu, Leilei; Wang, Shaofei; Guan, Jianguo; Feng, Zunpeng; Wang, Quanwei; Kong, Lei; Li, Wei; Wang, Joseph; Zhang, Qingjie

    2017-01-01

    Intelligent photoresponsive isotropic semiconductor micromotors are developed by taking advantage of the limited penetration depth of light to induce asymmetrical surface chemical reactions. Independent of the Brownian motion of themselves, the as-proposed isotropic micromotors are able to continuously move with both motion direction and speed just controlled by light, as well as precisely manipulate particles for nanoengineering.

  3. Dielectrophoretic manipulation of the mixture of isotropic and nematic liquid

    NASA Astrophysics Data System (ADS)

    Kim, Soo-Dong; Lee, Bomi; Kang, Shin-Woong; Song, Jang-Kun

    2015-08-01

    In various applications involving liquid crystals, the manipulation of the nanoscale molecular assembly and microscale director alignment is highly useful. Here we show that a nematic-isotropic mixture, a unique bi-liquid system, has potential for the fabrication of microstructures having an ordered phase within a disordered phase, or vice versa. The volume expansion and shrinkage, migration, splitting, mergence and elongation of one phase within the other are easily accomplished via thermal treatment and dielectrophoretic manipulation. This is particularly achievable when one phase is suspended in the middle. In that case, a highly biased ordered-phase preference of surfaces, that is, the nematic-philic nature of a polyimide layer and the nematic-phobic nature of a self-assembled monolayer of chlorosilane derivatives, is used. Further, by combining this approach with photopolymerization, the patterned microstructure is solidified as a patterned polymer film having both isotropic and anisotropic molecular arrangements simultaneously, or as a template with a morphological variation.

  4. Activation energy of negative fixed charges in thermal ALD Al{sub 2}O{sub 3}

    SciTech Connect

    Kühnhold-Pospischil, S.; Saint-Cast, P.; Richter, A.; Hofmann, M.

    2016-08-08

    A study of the thermally activated negative fixed charges Q{sub tot} and the interface trap densities D{sub it} at the interface between Si and thermal atomic-layer-deposited amorphous Al{sub 2}O{sub 3} layers is presented. The thermal activation of Q{sub tot} and D{sub it} was conducted at annealing temperatures between 220 °C and 500 °C for durations between 3 s and 38 h. The temperature-induced differences in Q{sub tot} and D{sub it} were measured using the characterization method called corona oxide characterization of semiconductors. Their time dependency were fitted using stretched exponential functions, yielding activation energies of E{sub A} = (2.2 ± 0.2) eV and E{sub A} = (2.3 ± 0.7) eV for Q{sub tot} and D{sub it}, respectively. For annealing temperatures from 350 °C to 500 °C, the changes in Q{sub tot} and D{sub it} were similar for both p- and n-type doped Si samples. In contrast, at 220 °C the charging process was enhanced for p-type samples. Based on the observations described in this contribution, a charging model leading to Q{sub tot} based on an electron hopping process between the silicon and Al{sub 2}O{sub 3} through defects is proposed.

  5. Constitutive modeling for isotropic materials (HOST)

    NASA Technical Reports Server (NTRS)

    Chan, Kwai S.; Lindholm, Ulric S.; Bodner, S. R.; Hill, Jeff T.; Weber, R. M.; Meyer, T. G.

    1986-01-01

    The results of the third year of work on a program which is part of the NASA Hot Section Technology program (HOST) are presented. The goals of this program are: (1) the development of unified constitutive models for rate dependent isotropic materials; and (2) the demonstration of the use of unified models in structural analyses of hot section components of gas turbine engines. The unified models selected for development and evaluation are those of Bodner-Partom and of Walker. A test procedure was developed for assisting the generation of a data base for the Bodner-Partom model using a relatively small number of specimens. This test procedure involved performing a tensile test at a temperature of interest that involves a succession of strain-rate changes. The results for B1900+Hf indicate that material constants related to hardening and thermal recovery can be obtained on the basis of such a procedure. Strain aging, thermal recovery, and unexpected material variations, however, preluded an accurate determination of the strain-rate sensitivity parameter is this exercise. The effects of casting grain size on the constitutive behavior of B1900+Hf were studied and no particular grain size effect was observed. A systematic procedure was also developed for determining the material constants in the Bodner-Partom model. Both the new test procedure and the method for determining material constants were applied to the alternate material, Mar-M247 . Test data including tensile, creep, cyclic and nonproportional biaxial (tension/torsion) loading were collected. Good correlations were obtained between the Bodner-Partom model and experiments. A literature survey was conducted to assess the effects of thermal history on the constitutive behavior of metals. Thermal history effects are expected to be present at temperature regimes where strain aging and change of microstructure are important. Possible modifications to the Bodner-Partom model to account for these effects are outlined

  6. How Isotropic is the Universe?

    NASA Astrophysics Data System (ADS)

    Saadeh, Daniela; Feeney, Stephen M.; Pontzen, Andrew; Peiris, Hiranya V.; McEwen, Jason D.

    2016-09-01

    A fundamental assumption in the standard model of cosmology is that the Universe is isotropic on large scales. Breaking this assumption leads to a set of solutions to Einstein's field equations, known as Bianchi cosmologies, only a subset of which have ever been tested against data. For the first time, we consider all degrees of freedom in these solutions to conduct a general test of isotropy using cosmic microwave background temperature and polarization data from Planck. For the vector mode (associated with vorticity), we obtain a limit on the anisotropic expansion of (σV/H )0 <4.7 ×10-11 (95% C.L.), which is an order of magnitude tighter than previous Planck results that used cosmic microwave background temperature only. We also place upper limits on other modes of anisotropic expansion, with the weakest limit arising from the regular tensor mode, (σT ,reg/H )0 <1.0 ×10-6 (95% C.L.). Including all degrees of freedom simultaneously for the first time, anisotropic expansion of the Universe is strongly disfavored, with odds of 121 000:1 against.

  7. Constitutive modeling for isotropic materials

    NASA Technical Reports Server (NTRS)

    Lindholm, Ulric S.; Chan, Kwai S.

    1986-01-01

    The objective of the program is to evaluate and develop existing constitutive models for use in finite-element structural analysis of turbine engine hot section components. The class of constitutive equation studied is considered unified in that all inelastic deformation including plasticity, creep, and stress relaxation are treated in a single term rather than a classical separation of plasticity (time independent) and creep (time dependent) behavior. The unified theories employed also do not utilize the classical yield surface or plastic potential concept. The models are constructed from an appropriate flow law, a scalar kinetic relation between strain rate, temperature and stress, and evolutionary equations for internal variables describing strain or work hardening, both isotropic and directional (kinematic). This and other studies have shown that the unified approach is particularly suited for determining the cyclic behavior of superalloy type blade and vane materials and is entirely compatible with three-dimensional inelastic finite-element formulations. The behavior was examined of a second nickel-base alloy, MAR-M247, and compared it with the Bodner-Partom model, further examined procedures for determining the material-specific constants in the models, and exercised the MARC code for a turbine blade under simulated flight spectrum loading. Results are summarized.

  8. How Isotropic is the Universe?

    PubMed

    Saadeh, Daniela; Feeney, Stephen M; Pontzen, Andrew; Peiris, Hiranya V; McEwen, Jason D

    2016-09-23

    A fundamental assumption in the standard model of cosmology is that the Universe is isotropic on large scales. Breaking this assumption leads to a set of solutions to Einstein's field equations, known as Bianchi cosmologies, only a subset of which have ever been tested against data. For the first time, we consider all degrees of freedom in these solutions to conduct a general test of isotropy using cosmic microwave background temperature and polarization data from Planck. For the vector mode (associated with vorticity), we obtain a limit on the anisotropic expansion of (σ_{V}/H)_{0}<4.7×10^{-11} (95% C.L.), which is an order of magnitude tighter than previous Planck results that used cosmic microwave background temperature only. We also place upper limits on other modes of anisotropic expansion, with the weakest limit arising from the regular tensor mode, (σ_{T,reg}/H)_{0}<1.0×10^{-6} (95% C.L.). Including all degrees of freedom simultaneously for the first time, anisotropic expansion of the Universe is strongly disfavored, with odds of 121 000:1 against.

  9. Low-thermal expansion infrared glass ceramics

    NASA Astrophysics Data System (ADS)

    Lam, Philip

    2009-05-01

    L2 Tech, Inc. is in development of an innovative infrared-transparent glass ceramic material with low-thermal expansion (<0.5 ppm/°C) and high thermal-shock resistance to be used as windows and domes for high speed flight. The material is an inorganic, non-porous glass ceramic, characterized by crystalline phases of evenly distributed nano-crystals in a residual glass phase. The major crystalline phase is zirconium tungstate (ZrW2O8) which has Negative Thermal Expansion (NTE). The glass phase is the infrared-transparent germanate glass which has positive thermal expansion (PTE). Then glass ceramic material has a balanced thermal expansion of near zero. The crystal structure is cubic and the thermal expansion of the glass ceramic is isotropic or equal in all directions.

  10. Giant negative thermal expansion in bonded MnCoGe-based compounds with Ni2In-type hexagonal structure.

    PubMed

    Zhao, Ying-Ying; Hu, Feng-Xia; Bao, Li-Fu; Wang, Jing; Wu, Hui; Huang, Qing-Zhen; Wu, Rong-Rong; Liu, Yao; Shen, Fei-Ran; Kuang, Hao; Zhang, Ming; Zuo, Wen-Liang; Zheng, Xin-Qi; Sun, Ji-Rong; Shen, Bao-Gen

    2015-02-11

    MnCoGe-based compounds undergo a giant negative thermal expansion (NTE) during the martensitic structural transition from Ni2In-type hexagonal to TiNiSi-type orthorhombic structure. High-resolution neutron diffraction experiments revealed that the expansion of unit cell volume can be as large as ΔV/V ∼ 3.9%. The optimized compositions with concurrent magnetic and structural transitions have been studied for magnetocaloric effect. However, these materials have not been considered as NTE materials partially due to the limited temperature window of phase transition. The as-prepared MnCoGe-based compounds are quite brittle and naturally collapse into powders. By using a few percents (3-4%) of epoxy to bond the powders, we introduced residual stress in the bonded samples and thus realized the broadening of structural transition by utilizing the specific characteristics of lattice softening enforced by the stress. As a result, giant NTE (not only the linear NTE coefficient α but also the operation-temperature window) has been achieved. For example, the average α̅ as much as -51.5 × 10(-6)/K with an operating temperature window as wide as 210 K from 122 to 332 K has been observed in a bonded MnCo0.98Cr0.02Ge compound. Moreover, in the region between 250 and 305 K near room temperature, the α value (-119 × 10(-6)/K) remains nearly independent of temperature. Such an excellent performance exceeds that of most other materials reported previously, suggesting it can potentially be used as a NTE material, particularly for compensating the materials with large positive thermal expansions.

  11. The Isotropic Radio Background and Annihilating Dark Matter

    SciTech Connect

    Hooper, Dan; Belikov, Alexander V.; Jeltema, Tesla E.; Linden, Tim; Profumo, Stefano; Slatyer, Tracy R.

    2012-11-01

    Observations by ARCADE-2 and other telescopes sensitive to low frequency radiation have revealed the presence of an isotropic radio background with a hard spectral index. The intensity of this observed background is found to exceed the flux predicted from astrophysical sources by a factor of approximately 5-6. In this article, we consider the possibility that annihilating dark matter particles provide the primary contribution to the observed isotropic radio background through the emission of synchrotron radiation from electron and positron annihilation products. For reasonable estimates of the magnetic fields present in clusters and galaxies, we find that dark matter could potentially account for the observed radio excess, but only if it annihilates mostly to electrons and/or muons, and only if it possesses a mass in the range of approximately 5-50 GeV. For such models, the annihilation cross section required to normalize the synchrotron signal to the observed excess is sigma v ~ (0.4-30) x 10^-26 cm^3/s, similar to the value predicted for a simple thermal relic (sigma v ~ 3 x 10^-26 cm^3/s). We find that in any scenario in which dark matter annihilations are responsible for the observed excess radio emission, a significant fraction of the isotropic gamma ray background observed by Fermi must result from dark matter as well.

  12. Switching Between Giant Positive and Negative Thermal Expansions of a YFe(CN)6 -based Prussian Blue Analogue Induced by Guest Species.

    PubMed

    Gao, Qilong; Chen, Jun; Sun, Qiang; Chang, Dahu; Huang, Qingzhen; Wu, Hui; Sanson, Andrea; Milazzo, Ruggero; Zhu, He; Li, Qiang; Liu, Zhanning; Deng, Jinxia; Xing, Xianran

    2017-07-24

    The control of thermal expansion of solid compounds is intriguing but remains challenging. The effect of guests on the thermal expansion of open-framework structures was investigated. Notably, the presence of guest ions (K(+) ) and molecules (H2 O) can substantially switch thermal expansion of YFe(CN)6 from negative (αv =-33.67×10(-6)  K(-1) ) to positive (αv =+42.72×10(-6)  K(-1) )-a range that covers the thermal expansion of most inorganic compounds. The mechanism of such substantial thermal expansion switching is revealed by joint studies with synchrotron X-ray diffraction, X-ray absorption fine structure, neutron powder diffraction, and density functional theory calculations. The presence of guest ions or molecules plays a critical damping effect on transverse vibrations, thus inhibiting negative thermal expansion. An effective method is demonstrated to control the thermal expansion in open-framework materials by adjusting the presence of guests. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Phenomenological Theory of Isotropic-Genesis Nematic Elastomers

    NASA Astrophysics Data System (ADS)

    Lu, Bing-Sui; Ye, Fangfu; Xing, Xiangjun; Goldbart, Paul M.

    2012-06-01

    We consider the impact of the elastomer network on the nematic structure and fluctuations in isotropic-genesis nematic elastomers, via a phenomenological model that underscores the role of network compliance. The model contains a network-mediated nonlocal interaction as well as a new kind of random field that reflects the memory of the nematic order present at network formation and also encodes local anisotropy due to localized nematogenic polymers. This model enables us to predict regimes of short-ranged oscillatory spatial correlations (thermal and glassy) in the nematic alignment.

  14. Isotropic versus anisotropic modeling of photorefractive solitons.

    PubMed

    Belić, M R; Vujić, D; Stepken, A; Kaiser, F; Calvo, G F; Agulló-López, F; Carrascosa, M

    2002-06-01

    The question of the isotropic versus anisotropic modeling of incoherent spatial screening solitons in photorefractive crystals is addressed by a careful theoretical and numerical analysis. Isotropic, or local, models allow for an extended spiraling of two interacting scalar solitons, and for a prolonged propagation of vortex vector solitons, whereas anisotropic, nonlocal, models prevent such phenomena. In the context of Kukhtarev's material equations, the difference in behavior is traced to the continuity equation for the current density. We further show that neither an indefinite spiraling of two solitons nor stable propagation of vortex vector solitons is generally possible in both isotropic and anisotropic models. Such systems do not conserve angular momentum, even in the case of an isotropic change in the index of refraction.

  15. Fresnel Coefficients of Forward and Backward Waves Refracting at the Interface of Isotropic Media

    NASA Astrophysics Data System (ADS)

    Fisanov, V. V.

    2017-01-01

    The Fresnel coefficients are derived for cross- and co-polarization states of plane electromagnetic wave incident at the interface between two isotropic media. The media can support forward or backward normal waves. Based on introduction of wave type identifiers, without application of the notion of the negative refractive index, phenomena of positive and negative refractions are considered in the general case.

  16. Theoretical study of negative thermal expansion in Y2Mo3O12: effect of water absorption

    NASA Astrophysics Data System (ADS)

    Sun, Qiang; Wu, Mingyi; Wang, Lei; Jia, Yu

    2013-03-01

    Y2Mo3O12 exhibits negative thermal expansion (NTE) in a large temperature range (473 ~ 1173 K). However, the material strongly absorb water and form a stable trihydrate structure, where the NTE disappears. Raman spectra revealed that some vibrational modes were missing in the hydrated structure. By DFT calculations, absorption of water in Y2Mo3O12 has been studied. Our results showed that water can strongly absorb in Y2Mo3O12 with O end of the water binding to Y cation, while one hydrogen approaches to the bridge O, which shared by polyhedrons YO6 and MoO4, and forms hydrogen bond. The absorption of water leads the angle of Y-O-Mo reduced, decreasing Y-Mo distance and consequently the volume of the material contracted. Calculated phonon spectra showed that the transverse vibration of Y-O-Mo is restricted due to water absorption. As a result, the NTE, originated from the vibrational mode, is hindered. Our MD simulations also revealed that water can easily diffuse and cross different channels in the material with the aid of Y cations.

  17. Negative thermal expansion and broad band photoluminescence in a novel material of ZrScMo2VO12

    PubMed Central

    Ge, Xianghong; Mao, Yanchao; Liu, Xiansheng; Cheng, Yongguang; Yuan, Baohe; Chao, Mingju; Liang, Erjun

    2016-01-01

    In this paper, we present a novel material with the formula of ZrScMo2VO12 for the first time. It was demonstrated that this material exhibits not only excellent negative thermal expansion (NTE) property over a wide temperature range (at least from 150 to 823 K), but also very intense photoluminescence covering the entire visible region. Structure analysis shows that ZrScMo2VO12 has an orthorhombic structure with the space group Pbcn (No. 60) at room temperature. A phase transition from monoclinic to orthorhombic structure between 70 and 90 K is also revealed. The intense white light emission is tentatively attributed to the n- and p-type like co-doping effect which creates not only the donor- and acceptor-like states in the band gap, but also donor-acceptor pairs and even bound exciton complexes. The excellent NTE property integrated with the intense white-light emission implies a potential application of this material in light emitting diode and other photoelectric devices. PMID:27098924

  18. Giant negative thermal expansion in NaZn13-type La(Fe, Si, Co)13 compounds.

    PubMed

    Huang, Rongjin; Liu, Yanying; Fan, Wei; Tan, Jie; Xiao, Furen; Qian, Lihe; Li, Laifeng

    2013-08-07

    La(Fe, Si)13-based compounds are well-known magnetocaloric materials, which show a pronounced negative thermal expansion (NTE) around the Curie temperature but have not been considered as NTE materials for industrial applications. The NaZn13-type LaFe13-xSix and LaFe11.5-xCoxSi1.5 compounds were synthesized, and their linear NTE properties were investigated. By optimizing the chemical composition, the sharp volume change in La(Fe, Si)13-based compounds was successfully modified into continuous expansion. By increasing the amount of Co dopant in LaFe11.5-xCoxSi1.5, the NTE shifts toward a higher temperature region, and also the NTE operation-temperature window becomes broader. Typically, the linear NTE coefficient identified in the LaFe10.5Co1.0Si1.5 compound reaches as much as -26.1 × 10(-6) K(-1), with an operation-temperature window of 110 K from 240 to 350 K, which includes room temperature. Such control of the specific composition and the NTE properties of La(Fe, Si)13-based compounds suggests their potential application as NTE materials.

  19. MATERIALS THAT SHRINK ON HEATING: PRESSURE-INDUCED PHASE TRANSITIONS IN NEGATIVE THERMAL EXPANSION MATERIALS, AND THEIR ENERGETICS

    SciTech Connect

    Varga, Tamas

    2011-09-01

    Despite the fact that all chemical bonds expand on heating, a small class of materials shrinks when heated. These, so called negative thermal expansion (NTE) materials, are a unique class of materials with some exotic properties. The present chapter offers insight into the structural aspects of pressure- (or temperature-) induced phase transformations, and the energetics of those changes in these fascinating materials, in particular NTE compound cubic ZrW2O8, orthorhombic Sc2W3O12 and Sc2Mo3O12, as well as other members of the 'scandium tungstate family'. In subsequent sections, (i) combined in situ high-pressure synchrotron XRD and XAS studies of NTE material ZrW2O8; (ii) an in situ high-pressure synchrotron XRD study of Sc2W3O12, Sc2Mo3O12, and Al2W3O12; and (iii) thermochemical studies of the above materials are presented and discussed. In all of these studies, chemical bonds change, sometimes break and new ones form. Correlations between structure, chemistry, and energetics are revealed. It is also shown that (iv) NTE materials are good candidates as precursors to make novel solid state materials, such as the conducting Sc0.67WO4, using high-pressure, high-temperature synthesis, through modification of bonding and electronic structure, and thus provide vast opportunities for scientific exploration.

  20. Large negative thermal expansion in non-perovskite lead-free ferroelectric Sn2P2S6.

    PubMed

    Rong, Yangchun; Li, Menglei; Chen, Jun; Zhou, Mei; Lin, Kun; Hu, Lei; Yuan, Wenxia; Duan, Wenhui; Deng, Jinxia; Xing, Xianran

    2016-02-17

    Functional materials showing both negative thermal expansion (NTE) and physical performance, such as ferroelectricity and magnetism, have been extensively explored in the past decade. However, among ferroelectrics a remarkable NTE was only found in perovskite-type PbTiO3-based compounds. In this work, a large NTE of -4.7 × 10(-5) K(-1) is obtained in the non-perovskite lead-free ferroelectric Sn2P2S6 from 243 K to TC (338 K). Structure refinements and first-principle calculations reveal the effects of the Sn(ii) 5s-S 3p interaction on spontaneous polarization and its correlation with NTE. Then the mechanism of spontaneous volume ferroelectrostriction (SVFS) is verified and it could well elucidate the nature of NTE in ferroelectric Sn2P2S6. This is the first case to demonstrate the unusual NTE behavior by SVFS in a non-perovskite lead-free ferroelectric material.

  1. Negative thermal expansion and broad band photoluminescence in a novel material of ZrScMo2VO12.

    PubMed

    Ge, Xianghong; Mao, Yanchao; Liu, Xiansheng; Cheng, Yongguang; Yuan, Baohe; Chao, Mingju; Liang, Erjun

    2016-04-21

    In this paper, we present a novel material with the formula of ZrScMo2VO12 for the first time. It was demonstrated that this material exhibits not only excellent negative thermal expansion (NTE) property over a wide temperature range (at least from 150 to 823 K), but also very intense photoluminescence covering the entire visible region. Structure analysis shows that ZrScMo2VO12 has an orthorhombic structure with the space group Pbcn (No. 60) at room temperature. A phase transition from monoclinic to orthorhombic structure between 70 and 90 K is also revealed. The intense white light emission is tentatively attributed to the n- and p-type like co-doping effect which creates not only the donor- and acceptor-like states in the band gap, but also donor-acceptor pairs and even bound exciton complexes. The excellent NTE property integrated with the intense white-light emission implies a potential application of this material in light emitting diode and other photoelectric devices.

  2. Negative thermal expansion and broad band photoluminescence in a novel material of ZrScMo2VO12

    NASA Astrophysics Data System (ADS)

    Ge, Xianghong; Mao, Yanchao; Liu, Xiansheng; Cheng, Yongguang; Yuan, Baohe; Chao, Mingju; Liang, Erjun

    2016-04-01

    In this paper, we present a novel material with the formula of ZrScMo2VO12 for the first time. It was demonstrated that this material exhibits not only excellent negative thermal expansion (NTE) property over a wide temperature range (at least from 150 to 823 K), but also very intense photoluminescence covering the entire visible region. Structure analysis shows that ZrScMo2VO12 has an orthorhombic structure with the space group Pbcn (No. 60) at room temperature. A phase transition from monoclinic to orthorhombic structure between 70 and 90 K is also revealed. The intense white light emission is tentatively attributed to the n- and p-type like co-doping effect which creates not only the donor- and acceptor-like states in the band gap, but also donor-acceptor pairs and even bound exciton complexes. The excellent NTE property integrated with the intense white-light emission implies a potential application of this material in light emitting diode and other photoelectric devices.

  3. Mechanical and electronic properties of monolayer and bilayer phosphorene under uniaxial and isotropic strains

    NASA Astrophysics Data System (ADS)

    Hu, Ting; Han, Yang; Dong, Jinming

    2014-11-01

    The mechanical and electronic properties of both the monolayer and bilayer phosphorenes under either isotropic or uniaxial strain have been systematically investigated using first-principles calculations. It is interesting to find that: 1) Under a large enough isotropic tensile strain, the monolayer phosphorene would lose its pucker structure and transform into a flat hexagonal plane, while two inner sublayers of the bilayer phosphorene could be bonded due to its interlayer distance contraction. 2) Under the uniaxial tensile strain along a zigzag direction, the pucker distance of each layer in the bilayer phosphorene can exhibit a specific negative Poisson’s ratio. 3) The electronic properties of both the monolayer and bilayer phosphorenes are sensitive to the magnitude and direction of the applied strains. Their band gaps decrease more rapidly under isotropic compressive strain than under uniaxial strain. Also, their direct-indirect band gap transitions happen at the larger isotropic tensile strains compared with that under uniaxial strain. 4) Under the isotropic compressive strain, the bilayer phosphorene exhibits a transition from a direct-gap semiconductor to a metal. In contrast, the monolayer phosphorene initially has the direct-indirect transition and then transitions to a metal. However, under isotropic tensile strain, both the bilayer and monolayer phosphorene show the direct-indirect transition and, finally, the transition to a metal. Our numerical results may open new potential applications of phosphorene in nanoelectronics and nanomechanical devices by external isotropic strain or uniaxial strain along different directions.

  4. Ba(1-x)Sr(x)Zn2Si2O7--A new family of materials with negative and very high thermal expansion.

    PubMed

    Thieme, Christian; Görls, Helmar; Rüssel, Christian

    2015-12-15

    The compound BaZn2Si2O7 shows a high coefficient of thermal expansion up to a temperature of 280 °C, then a transition to a high temperature phase is observed. This high temperature phase exhibits negative thermal expansion. If Ba(2+) is successively replaced by Sr(2+), a new phase with a structure, similar to that of the high temperature phase of BaZn2Si2O7, forms. At the composition Ba0.8Sr0.2Zn2Si2O7, this new phase is completely stabilized. The crystal structure was determined with single crystal X-ray diffraction using the composition Ba0.6Sr0.4Zn2Si2O7, which crystallizes in the orthorhombic space group Cmcm. The negative thermal expansion is a result of motions and distortions inside the crystal lattice, especially inside the chains of ZnO4 tetrahedra. Dilatometry and high temperature X-ray powder diffraction were used to verify the negative thermal expansion. Coefficients of thermal expansion partially smaller than -10·10(-6) K(-1) were measured.

  5. Role of phonons in negative thermal expansion and high pressure phase transitions in β-eucryptite: An ab-initio lattice dynamics and inelastic neutron scattering study

    NASA Astrophysics Data System (ADS)

    Singh, Baltej; Gupta, Mayanak Kumar; Mittal, Ranjan; Zbiri, Mohamed; Rols, Stephane; Patwe, Sadequa Jahedkhan; Achary, Srungarpu Nagabhusan; Schober, Helmut; Tyagi, Avesh Kumar; Chaplot, Samrath Lal

    2017-02-01

    β-Eucryptite (LiAlSiO4) shows anisotropic thermal expansion as well as one-dimensional super-ionic conductivity. We have performed the lattice dynamical calculations using ab-initio density functional theory along with inelastic neutron scattering measurements. The anisotropic stress dependence of the phonon spectrum is calculated to obtain the thermal expansion behavior along various axes. The calculations show that the Grüneisen parameters of the low-energy phonon modes around 10 meV have large negative values and govern the negative thermal expansion behavior at low temperatures along both the "a"- and "c"-axes. On the other hand, anisotropic elasticity along with anisotropic positive values of the Grüneisen parameters of the high-energy modes in the range 30-70 meV are responsible for the thermal expansion at high temperatures, which is positive in the a-b plane and negative along the c-axis. The analysis of the polarization vectors of the phonon modes sheds light on the mechanism of the anomalous thermal expansion behavior. The softening of a Γ-point mode at about 2 GPa may be related to the high-pressure phase transition.

  6. Ba1−xSrxZn2Si2O7 - A new family of materials with negative and very high thermal expansion

    PubMed Central

    Thieme, Christian; Görls, Helmar; Rüssel, Christian

    2015-01-01

    The compound BaZn2Si2O7 shows a high coefficient of thermal expansion up to a temperature of 280 °C, then a transition to a high temperature phase is observed. This high temperature phase exhibits negative thermal expansion. If Ba2+ is successively replaced by Sr2+, a new phase with a structure, similar to that of the high temperature phase of BaZn2Si2O7, forms. At the composition Ba0.8Sr0.2Zn2Si2O7, this new phase is completely stabilized. The crystal structure was determined with single crystal X-ray diffraction using the composition Ba0.6Sr0.4Zn2Si2O7, which crystallizes in the orthorhombic space group Cmcm. The negative thermal expansion is a result of motions and distortions inside the crystal lattice, especially inside the chains of ZnO4 tetrahedra. Dilatometry and high temperature X-ray powder diffraction were used to verify the negative thermal expansion. Coefficients of thermal expansion partially smaller than −10·10−6 K−1 were measured. PMID:26667989

  7. Analysis of Thermal and Chemical Effets on Negative Valve Overlap Period Energy Recovery for Low-Temperature Gasoline Combustion

    SciTech Connect

    Ekoto, Dr Isaac; Peterson, Dr. Brian; Szybist, James P; Northrop, Dr. William

    2015-01-01

    A central challenge for efficient auto-ignition controlled low-temperature gasoline combustion (LTGC) engines has been achieving the combustion phasing needed to reach stable performance over a wide operating regime. The negative valve overlap (NVO) strategy has been explored as a way to improve combustion stability through a combination of charge heating and altered reactivity via a recompression stroke with a pilot fuel injection. The study objective was to analyze the thermal and chemical effects on NVO-period energy recovery. The analysis leveraged experimental gas sampling results obtained from a single-cylinder LTGC engine along with cylinder pressure measurements and custom data reduction methods used to estimate period thermodynamic properties. The engine was fueled by either iso-octane or ethanol, and operated under sweeps of NVO-period oxygen concentration, injection timing, and fueling rate. Gas sampling at the end of the NVO period was performed via a custom dump-valve apparatus, with detailed sample speciation by in-house gas chromatography. The balance of NVO-period input and output energy flows was calculated in terms of fuel energy, work, heat loss, and change in sensible energy. Experiment results were complemented by detailed chemistry single-zone reactor simulations performed at relevant mixing and thermodynamic conditions, with results used to evaluate ignition behavior and expected energy recovery yields. For the intermediate bulk-gas temperatures present during the NVO period (900-1100 K), weak negative temperature coefficient behavior with iso-octane fueling significantly lengthened ignition delays relative to similar ethanol fueled conditions. Faster ethanol ignition chemistry led to lower recovered fuel intermediate yields relative to similar iso-octane fueled conditions due to more complete fuel oxidation. From the energy analysis it was found that increased NVO-period global equivalence ratio, either from lower NVOperiod oxygen

  8. Synthesis, structure, negative thermal expansion, and photocatalytic property of Mo doped ZrV2O7.

    PubMed

    Sahoo, Prangya Parimita; Sumithra, S; Madras, Giridhar; Row, T N Guru

    2011-09-19

    A new series of compounds identified in the phase diagram of ZrO(2)-V(2)O(5)-MoO(3) have been synthesized via the solution combustion method. Single crystals of one of the compounds in the series, ZrV(1.50)Mo(0.50)O(7.25), were grown by the melt-cool technique from the starting materials with double the MoO(3) quantity. The room temperature average crystal structure of the grown crystals was solved using the single crystal X-ray diffraction technique. The crystals belong to the cubic crystal system, space group Pa3 (No. 205) with a = 8.8969 (4) Å, V = 704.24 (6) Å(3), and Z = 4. The final R(1) value of 0.0213 was achieved for 288 independent reflections during the structure refinement. The Zr(4+) occupies the special position (4a) whereas V(5+) and Mo(6+) occupy two unique (8c) Wyckoff positions. Two fully occupied O atoms, (24d) and (4b), one partially occupied O atom (8c) have been identified for this molybdovanadate, which is a unique feature for these crystals. The structure is related to both ZrV(2)O(7) and cubic ZrMo(2)O(8). The temperature dependent single crystal studies show negative thermal expansion above 370 K. The compounds have been characterized by powder X-ray diffraction, solid-state UV-vis diffuse reflectance spectra, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The photocatalytic activity of these compounds has been investigated for the degradation of various dyes, and these compounds show specificity toward the degradation of non-azoic dyes.

  9. Dispersion of waves in relativistic plasmas with isotropic particle distributions

    SciTech Connect

    Shcherbakov, Roman V.

    2009-03-15

    The dispersion laws of Langmuir and transverse waves are calculated in the relativistic nonmagnetized formalism for several isotropic particle distributions: thermal, power law, relativistic Lorentzian {kappa}, and hybrid {beta}. For Langmuir waves the parameters of superluminal undamped, subluminal damped principal, and higher modes are determined for a range of distribution parameters. The undamped and principal damped modes are found to match smoothly. Principal damped and second damped modes are found not to match smoothly. The presence of maximum wavenumber is discovered above that no longitudinal modes formally exist. The higher damped modes are discovered to be qualitatively different for thermal and certain nonthermal distributions. Consistently with the known results, the Landau damping is calculated to be stronger for nonthermal power-law-like distributions. The dispersion law is obtained for the single undamped transverse mode. The analytic results for the simplest distributions are provided.

  10. Refractive Index and Wave Resistance of Homogeneous Plane Waves in Isotropic Media with Losses and Gain

    NASA Astrophysics Data System (ADS)

    Fisanov, V. V.

    2017-09-01

    Analytical expressions for complex values of the wave number, refractive index, and the characteristic wave impedance of homogeneous electromagnetic plane waves propagating in a linear, homogeneous, isotropic medium with losses and gain are derived. Formulas for determining the type of normal wave as a function of the values of the real and imaginary parts of the permittivity and permeability are obtained, and conditions for the appearance of positive and negative refraction at the interface of two isotropic media are indicated. In the approach applied here, the concept of a negative refractive index is not used.

  11. “True” negative thermal expansion in Mn-doped LaCu{sub 3}Fe{sub 4}O{sub 12} perovskite oxides

    SciTech Connect

    Yamada, Ikuya; Marukawa, Shohei; Murakami, Makoto; Mori, Shigeo

    2014-12-08

    Negative and zero thermal expansion near room temperature have been achieved in a cubic A-site ordered perovskite oxide LaCu{sub 3}Fe{sub 4−x}Mn{sub x}O{sub 12}. A discontinuous volume change in the parent material LaCu{sub 3}Fe{sub 4}O{sub 12}, owing to a first-order intermetallic charge transfer transition (3Cu{sup 2+ }+ 4Fe{sup 3.75+} ⇄ 3Cu{sup 3+ }+ 4Fe{sup 3+}), is efficiently relaxed to a second-order-type negative thermal expansion with a linear thermal expansion coefficient (α{sub L}) of −2.2(1) × 10{sup −5 }K{sup −1} between 300 and 340 K at x = 0.75, followed by an almost zero thermal expansion [α{sub L} of −1.1(2) × 10{sup −6 }K{sup −1}] at x = 1 in a wide temperature range (240–360 K) including room temperature. Magnetic susceptibility measurements display substantial broadenings of the antiferromagnetic transition when x increases, supporting the relaxation of first-order electronic phase transition of the parent material. These findings indicate that the significant adjustability of thermal expansion properties can be achieved in first-order intermetallic charge-transfer transition.

  12. Static spherically symmetric wormholes with isotropic pressure

    NASA Astrophysics Data System (ADS)

    Cataldo, Mauricio; Liempi, Luis; Rodríguez, Pablo

    2016-06-01

    In this paper we study static spherically symmetric wormhole solutions sustained by matter sources with isotropic pressure. We show that such spherical wormholes do not exist in the framework of zero-tidal-force wormholes. On the other hand, it is shown that for the often used power-law shape function there are no spherically symmetric traversable wormholes sustained by sources with a linear equation of state p = ωρ for the isotropic pressure, independently of the form of the redshift function ϕ (r). We consider a solution obtained by Tolman at 1939 for describing static spheres of isotropic fluids, and show that it also may describe wormhole spacetimes with a power-law redshift function, which leads to a polynomial shape function, generalizing a power-law shape function, and inducing a solid angle deficit.

  13. Efficient modeling in transversely isotropic inhomogeneous media

    SciTech Connect

    Alkhalifah, T.

    1993-11-01

    An efficient modeling technique for transversely isotropic, inhomogeneous media, is developed using a mix of analytical equations and numerical calculations. The analytic equation for the raypath in a factorized transversely isotropic (FTI) media with linear velocity variation, derived by Shearer and Chapman, is used to trace between two points. In addition, I derive an analytical equation for geometrical spreading in FTI media that aids in preserving program efficiency; however, the traveltime is calculated numerically. I then generalize the method to treat general transversely isotropic (TI) media that are not factorized anisotropic inhomogeneous by perturbing the FTI traveltimes, following the perturbation ideas of Cerveny and Filho. A Kirchhoff-summation-based program relying on Trorey`s (1970) diffraction method is used to generate synthetic seismograms for such a medium. For the type of velocity models treated, the program is much more efficient than finite-difference and general ray-trace modeling techniques.

  14. The Two Isotropic Asymptotes of Fiber Composites,

    DTIC Science & Technology

    1988-03-01

    Voigt and Reuss models of summed stiffness and compliance. The compliance quasi-isotropic asymptote, which >’-:’ has evidently not been discussed in the...i,j,e)de o0 The resulting pseudo -isotropic compliance (series-model) Hooke’s law matrix is similar but not identical to Eq. (3): W(1) W(4) 0 a aIE...given by 1 W( ) 14) E : - Vc Wc 4W(5) 2[W(1) - W()] (8) c W() W(14 12 Direct formulas for the pseudo -isctrcpic moduli, in terms of the ply 1s natural

  15. A 10-fold improvement in the precision of boron isotopic analysis by negative thermal ionization mass spectrometry.

    PubMed

    Shen, Jason Jiun-San; You, Chen-Feng

    2003-05-01

    Boron isotopes are potentially very important to cosmochemistry, geochemistry, and paleoceanography. However, the application has been hampered by the large sample required for positive thermal ionization mass spectrometry (PTIMS), and high mass fractionation for negative-TIMS (NTIMS). Running as BO(2)(-), NTIMS is very sensitive and requires only nanogram sized samples, but it has rather poor precision (approximately 0.7-2.0 per thousand) as a result of the larger mass fractionation associated with the relatively light ion. In contrast, running as the much heavier molecule of Cs(2)BO(2)(+), PTIMS usually achieves better precision around 0.1-0.4 per thousand. Moreover, there is a consistent 10 per thousand offset in the (11)B/(10)B ratio for NIST SRM 951 standard boric acid between the NTIMS and the certified value, but the cause of this offset is unclear. In this paper, we have adapted a technique we developed earlier to measure the (138)La/(139)La using LaO(+) (1) to improve the NTIMS technique for BO(2). We were able to correct for instrumental fractionation by measuring BO(2)(-) species not only at masses of 42 and 43, but also at 45, which enabled us to normalize (45)BO(2)/(43)BO(2) to an empirical (18)O/(16)O value. We found that both I(45)/I(42) = ((11)B(16)O(18)O/(10)B(16)O(16)O) and (I(43)/I(42))(C) = ((11)B(16)O(16)O/(10)B(16)O(16)O) vary linearly with (I(45)/I(43))(C) x 0.5 = ((11)B(16)O(18)O/(11)B(16)O(16)O) x 0.5 = (18)O/(16)O. In addition, different activators and different chemical forms of B yield different slopes for the fractionation lines. After normalizing (11)B(16)O(18)O/(11)B(16)O(16)O x 0.5 to a fixed (18)O/(16)O value, we obtained a mean (11)B/(10)B value of NIST SRM 951 that matches the NIST certified value at 4.0430 +/- 0.0015 (+/-0.36 per thousand, n = 11). As a result, our technique can achieve precision and accuracy comparable to that of PTIMS with only 1 per thousand of the sample required. This new NTIMS technique for B isotopes is

  16. A combined stretching-tilting mechanism produces negative, zero and positive linear thermal expansion in a semi-flexible Cd(II)-MOF.

    PubMed

    Lama, Prem; Das, Raj Kumar; Smith, Vincent J; Barbour, Leonard J

    2014-06-21

    A novel semi-flexible Cd(II)-MOF has been synthesized and characterized by variable temperature powder and single-crystal X-ray diffraction. The material displays an unusual combination of thermal expansion (TE) i.e. negative, zero and positive, which is an extremely rare finding, especially for metal-organic frameworks as a result of a combined stretching-tilting mechanism.

  17. Biomimetic Isotropic Nanostructures for Structural Coloration

    SciTech Connect

    Forster, Jason D.; Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Schreck, Carl F.; Yang, Lin; Park, Jin-Gyu; Prum, Richard O.; Mochrie, Simon G.J.; O'Hern, Corey S.; Cao, Hui; Dufresne, Eric R.

    2010-08-09

    The self-assembly of films that mimic color-producing nanostructures in bird feathers is described. These structures are isotropic and have a characteristic length-scale comparable to the wavelength of visible light. Structural colors are produced when wavelength-independent scattering is suppressed by limiting the optical path length through geometry or absorption.

  18. Interpenetration as a Mechanism for Negative Thermal Expansion in the Metal-Organic Framework Cu3(btb)2 (MOF-14)

    SciTech Connect

    Wu, Yue; Peterson, Vanessa K.; Luks, Emily; Darwish, Tamim A.; Kepert, Cameron J.

    2014-07-11

    Metal–organic framework materials (MOFs) have recently been shown in some cases to exhibit strong negative thermal expansion (NTE) behavior, while framework interpenetration has been found to reduce NTE in many materials. Using powder and single-crystal diffraction methods we investigate the thermal expansion behavior of interpenetrated Cu3(btb)2 (MOF-14) and find that it exhibits an anomalously large NTE effect. Temperature-dependent structural analysis shows that, contrary to other interpenetrated materials, in MOF-14 the large positive thermal expansion of weak interactions that hold the interpenetrating networks together results in a low-energy contractive distortion of the overall framework structure, demonstrating a new mechanism for NTE.

  19. Transversely Isotropic Elasticity Imaging of Cancellous Bone

    PubMed Central

    Shore, Spencer W.; Barbone, Paul E.; Oberai, Assad A.; Morgan, Elise F.

    2012-01-01

    To measure spatial variations in mechanical properties of biological materials, prior studies have typically performed mechanical tests on excised specimens of tissue. Less invasive measurements, however, are preferable in many applications, such as patient-specific modeling, disease diagnosis, and tracking of age- or damage-related degradation of mechanical properties. Elasticity imaging (elastography) is a nondestructive imaging method in which the distribution of elastic properties throughout a specimen can be reconstructed from measured strain or displacement fields. To date, most work in elasticity imaging has concerned incompressible, isotropic materials. This study presents an extension of elasticity imaging to three-dimensional, compressible, transversely isotropic materials. The formulation and solution of an inverse problem for an anisotropic tissue subjected to a combination of quasi-static loads is described, and an optimization and regularization strategy that indirectly obtains the solution to the inverse problem is presented. Several applications of transversely isotropic elasticity imaging to cancellous bone from the human vertebra are then considered. The feasibility of using isotropic elasticity imaging to obtain meaningful reconstructions of the distribution of material properties for vertebral cancellous bone from experiment is established. However, using simulation, it is shown that an isotropic reconstruction is not appropriate for anisotropic materials. It is further shown that the transversely isotropic method identifies a solution that predicts the measured displacements, reveals regions of low stiffness, and recovers all five elastic parameters with approximately 10% error. The recovery of a given elastic parameter is found to require the presence of its corresponding strain (e.g., a deformation that generates ε12 is necessary to reconstruct C1212), and the application of regularization is shown to improve accuracy. Finally, the effects

  20. Transversely isotropic elasticity imaging of cancellous bone.

    PubMed

    Shore, Spencer W; Barbone, Paul E; Oberai, Assad A; Morgan, Elise F

    2011-06-01

    To measure spatial variations in mechanical properties of biological materials, prior studies have typically performed mechanical tests on excised specimens of tissue. Less invasive measurements, however, are preferable in many applications, such as patient-specific modeling, disease diagnosis, and tracking of age- or damage-related degradation of mechanical properties. Elasticity imaging (elastography) is a nondestructive imaging method in which the distribution of elastic properties throughout a specimen can be reconstructed from measured strain or displacement fields. To date, most work in elasticity imaging has concerned incompressible, isotropic materials. This study presents an extension of elasticity imaging to three-dimensional, compressible, transversely isotropic materials. The formulation and solution of an inverse problem for an anisotropic tissue subjected to a combination of quasi-static loads is described, and an optimization and regularization strategy that indirectly obtains the solution to the inverse problem is presented. Several applications of transversely isotropic elasticity imaging to cancellous bone from the human vertebra are then considered. The feasibility of using isotropic elasticity imaging to obtain meaningful reconstructions of the distribution of material properties for vertebral cancellous bone from experiment is established. However, using simulation, it is shown that an isotropic reconstruction is not appropriate for anisotropic materials. It is further shown that the transversely isotropic method identifies a solution that predicts the measured displacements, reveals regions of low stiffness, and recovers all five elastic parameters with approximately 10% error. The recovery of a given elastic parameter is found to require the presence of its corresponding strain (e.g., a deformation that generates ɛ₁₂ is necessary to reconstruct C₁₂₁₂), and the application of regularization is shown to improve accuracy. Finally

  1. Interactively variable isotropic resolution in computed tomography.

    PubMed

    Lapp, Robert M; Kyriakou, Yiannis; Kachelriess, Marc; Wilharm, Sylvia; Kalender, Willi A

    2008-05-21

    An individual balancing between spatial resolution and image noise is necessary to fulfil the diagnostic requirements in medical CT imaging. In order to change influencing parameters, such as reconstruction kernel or effective slice thickness, additional raw-data-dependent image reconstructions have to be performed. Therefore, the noise versus resolution trade-off is time consuming and not interactively applicable. Furthermore, isotropic resolution, expressed by an equivalent point spread function (PSF) in every spatial direction, is important for the undistorted visualization and quantitative evaluation of small structures independent of the viewing plane. Theoretically, isotropic resolution can be obtained by matching the in-plane and through-plane resolution with the aforementioned parameters. Practically, however, the user is not assisted in doing so by current reconstruction systems and therefore isotropic resolution is not commonly achieved, in particular not at the desired resolution level. In this paper, an integrated approach is presented for equalizing the in-plane and through-plane spatial resolution by image filtering. The required filter kernels are calculated from previously measured PSFs in x/y- and z-direction. The concepts derived are combined with a variable resolution filtering technique. Both approaches are independent of CT raw data and operate only on reconstructed images which allows for their application in real time. Thereby, the aim of interactively variable, isotropic resolution is achieved. Results were evaluated quantitatively by measuring PSFs and image noise, and qualitatively by comparing the images to direct reconstructions regarded as the gold standard. Filtered images matched direct reconstructions with arbitrary reconstruction kernels with standard deviations in difference images of typically between 1 and 17 HU. Isotropic resolution was achieved within 5% of the selected resolution level. Processing times of 20-100 ms per frame

  2. Configurational temperature and local properties of the anisotropic Gay-Berne liquid crystal model: Applications to the isotropic liquid/vapor interface and isotropic/nematic transition

    NASA Astrophysics Data System (ADS)

    Ghoufi, Aziz; Morineau, Denis; Lefort, Ronan; Malfreyt, Patrice

    2011-01-01

    Molecular simulations in the isothermal statistical ensembles require that the macroscopic thermal and mechanical equilibriums are respected and that the local values of these properties are constant at every point in the system. The thermal equilibrium in Monte Carlo simulations can be checked through the calculation of the configurational temperature, {k_BT_{conf}={< |nabla _r U({r}^N)|2>}/{< nabla _r{^2} U({r}^N) >}}, where nabla _r is the nabla operator of position vector r. As far as we know, T_{conf} was never calculated with the anisotropic Gay-Berne potential, whereas the calculation of T_{conf} is much more widespread with more common potentials (Lennard Jones, electrostatic, …). We establish here an operational expression of the macroscopic and local configurational temperatures, and we investigate locally the isotropic liquid phase, the liquid / vapor interface, and the isotropic-nematic transition by Monte Carlo simulations.

  3. Pretransitional behavior above the nematic-isotropic phase transition of an auxetic trimer liquid crystal.

    PubMed

    Kang, D; Mahajan, M P; Zhang, S; Petschek, R G; Rosenblatt, C; He, C; Liu, P; Griffin, A C

    1999-10-01

    Static light scattering and electric field-induced Kerr measurements were performed above the nematic-isotropic phase transition of a terminal-lateral-lateral-terminal negative Poisson ratio trimer. For both measurements the inverse susceptibility was observed to be nearly linear with temperature, a result inconsistent with our previously reported Kerr data [Phys. Rev. E 58, 2041 (1998)].

  4. Apparent anisotropy in inhomogeneous isotropic media

    NASA Astrophysics Data System (ADS)

    Lin, Fan-Chi; Ritzwoller, Michael H.

    2011-09-01

    Surface waves propagating through a laterally inhomogeneous medium undergo wavefield complications such as multiple scattering, wave front healing, and backward scattering. Unless accounted for accurately, these effects will introduce a systematic isotropic bias in estimates of azimuthal anisotropy. We demonstrate with synthetic experiments that backward scattering near an observing station will introduce an apparent 360° periodicity into the azimuthal distribution of anisotropy near strong lateral variations in seismic wave speeds that increases with period. Because it violates reciprocity, this apparent 1ψ anisotropy, where ψ is the azimuthal angle, is non-physical for surface waves and is, therefore, a useful indicator of isotropic bias. Isotropic bias of the 2ψ (180° periodicity) component of azimuthal anisotropy, in contrast, is caused mainly by wave front healing, which results from the broad forward scattering part of the surface wave sensitivity kernel. To test these predictions, we apply geometrical ray theoretic (eikonal) tomography to teleseismic Rayleigh wave measurements across the Transportable Array component of USArray to measure the directional dependence of phase velocities between 30 and 80 s period. Eikonal tomography accounts for multiple scattering (ray bending) but not finite frequency effects such as wave front healing or backward scattering. At long periods (>50 s), consistent with the predictions from the synthetic experiments, a significant 1ψ component of azimuthal anisotropy is observed near strong isotropic structural contrasts with fast directions that point in the direction of increasing phase speeds. The observed 2ψ component of azimuthal anisotropy is more weakly correlated with synthetic predictions of isotropic bias, probably because of the imprint of intrinsic structural anisotropy. The observation of a 1ψ component of azimuthal anisotropy is a clear indicator of isotropic bias in the inversion caused by unmodelled

  5. Magnetocaloric effect and negative thermal expansion in hexagonal Fe doped MnNiGe compounds with a magnetoelastic AFM-FM-like transition.

    PubMed

    Xu, Kun; Li, Zhe; Liu, Enke; Zhou, Haichun; Zhang, Yuanlei; Jing, Chao

    2017-01-30

    We report a detailed study of two successive first-order transitions, including a martensitic transition (MT) and an antiferromagnetic (AFM)-ferromagnetic (FM)-like transition, in Mn1-xFexNiGe (x = 0, 0.06, 0.11) alloys by X-ray diffraction, differential scanning calorimetry, magnetization and linear thermal expansion measurements. Such an AFM-FM-like transition occurring in the martensitic state has seldom been observed in the M(T) curves. The results of Arrott plot and linear relationship of the critical temperature with M(2) provide explicit evidence of its first-order magnetoelastic nature. On the other hand, their performances as magnetocaloric and negative thermal expansion materials were characterized. The isothermal entropy change for a field change of 30 kOe reaches an impressive value of -25.8 J/kg K at 203 K for x = 0.11 compared to the other two samples. It demonstrates that the magneto-responsive ability has been significantly promoted since an appropriate amount of Fe doping can break the local Ni-6Mn AFM configuration. Moreover, the Fe-doped samples reveal both the giant negative thermal expansion and near-zero thermal expansion for different temperature ranges. For instance, the average thermal expansion coefficient ā of x = 0.06 reaches -60.7 × 10(-6)/K over T = 231-338 K and 0.6 × 10(-6)/K over T = 175-231 K during cooling.

  6. Magnetocaloric effect and negative thermal expansion in hexagonal Fe doped MnNiGe compounds with a magnetoelastic AFM-FM-like transition

    NASA Astrophysics Data System (ADS)

    Xu, Kun; Li, Zhe; Liu, Enke; Zhou, Haichun; Zhang, Yuanlei; Jing, Chao

    2017-01-01

    We report a detailed study of two successive first-order transitions, including a martensitic transition (MT) and an antiferromagnetic (AFM)-ferromagnetic (FM)-like transition, in Mn1-xFexNiGe (x = 0, 0.06, 0.11) alloys by X-ray diffraction, differential scanning calorimetry, magnetization and linear thermal expansion measurements. Such an AFM-FM-like transition occurring in the martensitic state has seldom been observed in the M(T) curves. The results of Arrott plot and linear relationship of the critical temperature with M2 provide explicit evidence of its first-order magnetoelastic nature. On the other hand, their performances as magnetocaloric and negative thermal expansion materials were characterized. The isothermal entropy change for a field change of 30 kOe reaches an impressive value of -25.8 J/kg K at 203 K for x = 0.11 compared to the other two samples. It demonstrates that the magneto-responsive ability has been significantly promoted since an appropriate amount of Fe doping can break the local Ni-6Mn AFM configuration. Moreover, the Fe-doped samples reveal both the giant negative thermal expansion and near-zero thermal expansion for different temperature ranges. For instance, the average thermal expansion coefficient ā of x = 0.06 reaches -60.7 × 10-6/K over T = 231-338 K and 0.6 × 10-6/K over T = 175-231 K during cooling.

  7. Magnetocaloric effect and negative thermal expansion in hexagonal Fe doped MnNiGe compounds with a magnetoelastic AFM-FM-like transition

    PubMed Central

    Xu, Kun; Li, Zhe; Liu, Enke; Zhou, Haichun; Zhang, Yuanlei; Jing, Chao

    2017-01-01

    We report a detailed study of two successive first-order transitions, including a martensitic transition (MT) and an antiferromagnetic (AFM)-ferromagnetic (FM)-like transition, in Mn1-xFexNiGe (x = 0, 0.06, 0.11) alloys by X-ray diffraction, differential scanning calorimetry, magnetization and linear thermal expansion measurements. Such an AFM-FM-like transition occurring in the martensitic state has seldom been observed in the M(T) curves. The results of Arrott plot and linear relationship of the critical temperature with M2 provide explicit evidence of its first-order magnetoelastic nature. On the other hand, their performances as magnetocaloric and negative thermal expansion materials were characterized. The isothermal entropy change for a field change of 30 kOe reaches an impressive value of −25.8 J/kg K at 203 K for x = 0.11 compared to the other two samples. It demonstrates that the magneto-responsive ability has been significantly promoted since an appropriate amount of Fe doping can break the local Ni-6Mn AFM configuration. Moreover, the Fe-doped samples reveal both the giant negative thermal expansion and near-zero thermal expansion for different temperature ranges. For instance, the average thermal expansion coefficient ā of x = 0.06 reaches −60.7 × 10−6/K over T = 231–338 K and 0.6 × 10−6/K over T = 175–231 K during cooling. PMID:28134355

  8. Isotropic copper-invar alloys for microelectronics packaging

    NASA Astrophysics Data System (ADS)

    Cottle, Rand Duprez

    The recent trend in microelectronics packaging toward surface mounted devices (SMD) has created a need for new types of materials that possess low thermal expansion and high electrical and thermal conductivity. Laminates that combine the high thermal and electrical conductivity of copper with the low thermal expansion of Invar, know as CuInvarCu or CIC, are widely use as core constraining materials in printed wire boards where SMDs are to be employed. CIC is highly anisotropic, and there are potential problems resulting from its anisotropy. An isotropic CuInvar alloy would be of great interest for a variety of applications. In suitable Cu-Fe-Ni alloys, a copper-rich solid solution equilibrates with an Invar-rich solid solution; casting such alloys invariably produces Invar-rich dendrites in a copper-rich solid solution. Casting followed by suitable heat treatments can produce two-phase alloys that combine the properties of copper and Invar. The overall composition controls the relative fractions of Invar and copper and the resulting trade-off between low thermal expansivity and electrical conductivity. Measured thermal expansivities (CTE) of CuInvar alloys follow very closely a linear rule of mixing. Electrical conductivities of as-cast specimens are quite poor due to iron and nickel contamination. Theoretical phase diagrams indicate that nearly pure copper equilibrates with an Invar-rich phase at temperatures below, roughly, 500°C. However, equilibrium compositions have been shown to take extremely, long to form, due to the very sluggish kinetics in the system. Long-term annealing was shown to improve conductivity significantly, but much greater improvements are needed to make CuInvar viable as an electrical conductive material.

  9. Penetrative phototactic bioconvection in an isotropic scattering suspension

    NASA Astrophysics Data System (ADS)

    Panda, M. K.; Ghorai, S.

    2013-07-01

    Phototaxis is a directed swimming response dependent upon the light intensity sensed by micro-organisms. Positive (negative) phototaxis denotes the motion directed towards (away from) the source of light. Using the phototaxis model of Ghorai, Panda, and Hill ["Bioconvection in a suspension of isotropically scattering phototactic algae," Phys. Fluids 22, 071901 (2010)], 10.1063/1.3457163, we investigate two-dimensional phototactic bioconvection in an absorbing and isotropic scattering suspension in the nonlinear regime. The suspension is confined by a rigid bottom boundary, and stress-free top and lateral boundaries. The governing equations for phototactic bioconvection consist of Navier-Stokes equations for an incompressible fluid coupled with a conservation equation for micro-organisms and the radiative transfer equation for light transport. The governing system is solved efficiently using a semi-implicit second-order accurate conservative finite-difference method. The radiative transfer equation is solved by the finite volume method using a suitable step scheme. The resulting bioconvective patterns differ qualitatively from those found by Ghorai and Hill ["Penetrative phototactic bioconvection," Phys. Fluids 17, 074101 (2005)], 10.1063/1.1947807 at a higher critical wavelength due to the effects of scattering. The solutions show transition from steady state to periodic oscillations as the governing parameters are varied. Also, we notice the accumulation of micro-organisms in two horizontal layers at two different depths via their mean swimming orientation profile for some governing parameters at a higher scattering albedo.

  10. WYPIWYG hyperelasticity for isotropic, compressible materials

    NASA Astrophysics Data System (ADS)

    Crespo, José; Latorre, Marcos; Montáns, Francisco Javier

    2016-10-01

    Nowadays the most common approach to model elastic behavior at large strains is through hyperelasticity. Hyperelastic models usually specify the shape of the stored energy function. This shape is modulated by some material parameters that are computed so the predicted stresses best fit the experimental data. Many stored energy functions have been proposed in the literature for isotropic and anisotropic materials, either compressible or incompressible. What-You-Prescribe-Is-What-You-Get (WYPIWYG) formulations present a different approach which may be considered an extension of the infinitesimal framework. The shape of the stored energy is not given beforehand but computed numerically from experimental data solving the equilibrium equations. The models exactly fit the experimental data without any material parameter. WYPIWYG procedures have comparable efficiency in finite element procedures as classical hyperelasticity. In this work we present a WYPIWYG numerical procedure for compressible isotropic materials and we motivate the formulation through an equivalent infinitesimal model.

  11. Infinite Products of Random Isotropically Distributed Matrices

    NASA Astrophysics Data System (ADS)

    Il'yn, A. S.; Sirota, V. A.; Zybin, K. P.

    2017-01-01

    Statistical properties of infinite products of random isotropically distributed matrices are investigated. Both for continuous processes with finite correlation time and discrete sequences of independent matrices, a formalism that allows to calculate easily the Lyapunov spectrum and generalized Lyapunov exponents is developed. This problem is of interest to probability theory, statistical characteristics of matrix T-exponentials are also needed for turbulent transport problems, dynamical chaos and other parts of statistical physics.

  12. DNS of Shock / Isotropic Turbulence Interaction

    NASA Astrophysics Data System (ADS)

    Grube, Nathan; Taylor, Ellen; Martín, Pino

    2010-11-01

    We discuss DNS of Shock / Isotropic Turbulence Interactions (SITI). We vary the incoming turbulence Mach number up to 0.8 and the convective Mach number up to 5 in order to determine their effects on the interaction. These cases are challenging due to the presence of shocklets in the incoming turbulence as well as significant motion of the main shock. Shock-capturing must be used at all points while still maintaining low enough numerical dissipation to preserve the turbulent fluctuations. We use the linearly- and nonlinearly-optimized Weighted Essentially Non-Oscillatory (WENO) method[1,2]. Particular attention is paid to the inflow boundary condition, where we find the use of snapshots of "frozen" turbulence from decaying isotropic box simulations to be unsatisfactory. We instead use time-varying inflow data generated by a separate forced isotropic turbulence simulation with a specified convection speed. This allows us to access flow conditions where the assumptions of Taylor's Hypothesis are not met. 1.) Mart'in, M.P., Taylor, E.M., Wu, M., and Weirs, V.G., JCP 220(1) 270-89, 2006. 2.) Taylor, E.M., Wu, M., and Mart'in, M.P., JCP 223(1) 384-97, 2007.

  13. Colossal negative thermal expansion with an extended temperature interval covering room temperature in fine-powdered Mn0.98CoGe

    NASA Astrophysics Data System (ADS)

    Lin, Jianchao; Tong, Peng; Zhang, Kui; Tong, Haiyun; Guo, Xinge; Yang, Cheng; Wu, Ying; Wang, Meng; Lin, Shuai; Chen, Li; Song, Wenhai; Sun, Yuping

    2016-12-01

    MnM'X (M' = Co, Ni; X = Ge, Si, etc.) alloys usually present a large volumetric change during the Martensitic (MA) transformation. This offers a great opportunity for exploring new negative thermal expansion (NTE) materials if the temperature interval of NTE can be extended. Here, we report colossal NTE in fine-powdered Mn0.98CoGe prepared by repeated thermal cycling (TC) through the MA transition or ball milling. Both treatments can expand the MA transformation, and thus broaden the NTE temperature window (ΔT). For the powders that have gone through TC for ten times, ΔT reaches 90 K (309 K-399 K), and the linear expansion coefficient (αL) is about -141 ppm/K, which rank among the largest values of colossal NTE materials. The difference between two kinds of treatments and the possible mechanisms of the extended MA transformation window are discussed based on the introduced strain.

  14. The negative effect of starvation and the positive effect of mild thermal stress on thermal tolerance of the red flour beetle, Tribolium castaneum

    NASA Astrophysics Data System (ADS)

    Scharf, Inon; Wexler, Yonatan; MacMillan, Heath Andrew; Presman, Shira; Simson, Eddie; Rosenstein, Shai

    2016-04-01

    The thermal tolerance of a terrestrial insect species can vary as a result of differences in population origin, developmental stage, age, and sex, as well as via phenotypic plasticity induced in response to changes in the abiotic environment. Here, we studied the effects of both starvation and mild cold and heat shocks on the thermal tolerance of the red flour beetle, Tribolium castaneum. Starvation led to impaired cold tolerance, measured as chill coma recovery time, and this effect, which was stronger in males than females, persisted for longer than 2 days but less than 7 days. Heat tolerance, measured as heat knockdown time, was not affected by starvation. Our results highlight the difficulty faced by insects when encountering multiple stressors simultaneously and indicate physiological trade-offs. Both mild cold and heat shocks led to improved heat tolerance in both sexes. It could be that both mild shocks lead to the expression of heat shock proteins, enhancing heat tolerance in the short run. Cold tolerance was not affected by previous mild cold shock, suggesting that such a cold shock, as a single event, causes little stress and hence elicits only weak physiological reaction. However, previous mild heat stress led to improved cold tolerance but only in males. Our results point to both hardening and cross-tolerance between cold and heat shocks.

  15. Helicity statistics in homogeneous and isotropic turbulence and turbulence models

    NASA Astrophysics Data System (ADS)

    Sahoo, Ganapati; De Pietro, Massimo; Biferale, Luca

    2017-02-01

    We study the statistical properties of helicity in direct numerical simulations of fully developed homogeneous and isotropic turbulence and in a class of turbulence shell models. We consider correlation functions based on combinations of vorticity and velocity increments that are not invariant under mirror symmetry. We also study the scaling properties of high-order structure functions based on the moments of the velocity increments projected on a subset of modes with either positive or negative helicity (chirality). We show that mirror symmetry is recovered at small scales, i.e., chiral terms are subleading and they are well captured by a dimensional argument plus anomalous corrections. These findings are also supported by a high Reynolds numbers study of helical shell models with the same chiral symmetry of Navier-Stokes equations.

  16. Synthesis and characterization of negative thermal expansion HfW{sub 2-x}V{sub x}O{sub 8-x/2} solid solutions

    SciTech Connect

    Guo, Fuli; Chen, Xi; Deng, Xuebin; Ma, Hui; Yang, Xiaojing; Zhao, Xinhua

    2012-12-15

    Cubic HfW{sub 2-x}V{sub x}O{sub 8-x/2} (c-HfW{sub 2-x}V{sub x}O{sub 8-x/2}) solid solutions, where x is up to 0.34, were synthesized using a process of acidic steam hydrothermal (ASH)-thermal dehydrating precursors. The process is studied detailedly. The results reveal tetragonal HfW{sub 2-x}V{sub x}O{sub 7-x/2}(OH){sub 2}(H{sub 2}O){sub 2} precursors are synthesized after ASH treatment and they produce orthorhombic HfW{sub 2-x}V{sub x}O{sub 8-x/2} in dehydrating. Then c-HfW{sub 2-x}V{sub x}O{sub 8-x/2} are obtained at higher temperature. The crystal structures of c-HfW{sub 2-x}V{sub x}O{sub 8-x/2} are characterized as {alpha}-HfW{sub 2}O{sub 8} and {beta}-HfW{sub 2}O{sub 8} structure for 0{<=}x{<=}0.30 and x=0.34, respectively. All the c-HfW{sub 2-x}V{sub x}O{sub 8-x/2} show excellent negative thermal expansion property. The relationships between the properties, such as ordered degree parameter, crystal lattice parameter, phase transition temperature and linear average thermal expansion coefficient, and the V content are also discussed. - Graphical abstract: Novel c-HfW{sub 2-x}V{sub x}O{sub 8-x/2} solid solutions were synthesized and all of them still show excellent negative thermal expansion property. Highlights: Black-Right-Pointing-Pointer Novel cubic HfW{sub 2-x}V{sub x}O{sub 8-x/2} solid solutions and their precursors were synthesized. Black-Right-Pointing-Pointer Cubic HfW{sub 2-x}V{sub x}O{sub 8-x/2} solid solutions show excellent negative thermal expansion. Black-Right-Pointing-Pointer The relationship between the properties of the samples and the V content is revealed. Black-Right-Pointing-Pointer x up to 0.34, a rare large solid solubility in aliovalent substitution.

  17. Enhanced negative thermal expansion and optical absorption of In0.6(HfMg)0.7Mo3O12 with oxygen vacancies

    NASA Astrophysics Data System (ADS)

    Cheng, Yongguang; Mao, Yanchao; Yuan, Baohe; Ge, Xianghong; Guo, Juan; Chao, Mingju; Liang, Erjun

    2017-07-01

    A negative thermal expansion (NTE) material In0.6(HfMg)0.7Mo3O12 with oxygen vacancies was successfully synthesized through He atmosphere annealing. It was found that the introduction of oxygen vacancies enhanced the coefficient of NTE by about an order of magnitude larger. It can be attributed to the increased flexibility of the polyhedra in the framework structure. The introduction of oxygen vacancies also weakened the Mdbnd O bonds and obviously enhanced the optical absorption in the visible light region. This work provides a promising strategy to effectively improve the NTE and optical properties of traditional NTE materials by introducing oxygen vacancies.

  18. Tunable thermal expansion and magnetism in Zr-doped ScF3

    NASA Astrophysics Data System (ADS)

    Wang, Tao; Xu, Jiale; Hu, Lei; Wang, Wei; Huang, Rongjin; Han, Fei; Pan, Zhao; Deng, Jinxia; Ren, Yang; Li, Laifeng; Chen, Jun; Xing, Xianran

    2016-10-01

    The negative thermal expansion (NTE) behavior provides us an opportunity to design materials with controllable coefficient of thermal expansion (CTE). In this letter, we report a tunable isotropic thermal expansion in the cubic (Sc1-xZrx)F3+δ over a wide temperature and CTE range (αl = -4.0 to+ 16.8 × 10-6 K-1, 298-648 K). The thermal expansion can be well adjusted from strong negative to zero, and finally to large positive. Intriguingly, isotropic zero thermal expansion (αl = 2.6 × 10-7 K-1, 298-648 K) has been observed in the composition of (Sc0.8Zr0.2)F3+δ. The controllable thermal expansion in (Sc1-xZrx)F3+δ is correlated to the local structural distortion. Interestingly, the ordered magnetic behavior has been found in the zero thermal expansion compound of (Sc0.8Zr0.2)F3+δ at room temperature, which presumably correlates with the unpaired electron of the lower chemical valence of Zr cation. The present study provides a useful reference to control the thermal expansion and explore the multi-functionalization for NTE materials.

  19. Tunable thermal expansion and magnetism in Zr-doped ScF3

    SciTech Connect

    Wang, Tao; Xu, Jiale; Hu, Lei; Wang, Wei; Huang, Rongjin; Han, Fei; Pan, Zhao; Deng, Jinxia; Ren, Yang; Li, Laifeng; Chen, Jun; Xing, Xianran

    2016-10-31

    The negative thermal expansion (NTE) behavior provides us an opportunity to design materials with controllable coefficient of thermal expansion (CTE). In this letter, we report a tunable isotropic thermal expansion in the cubic (Sc1-xZrx)F3+δ over a wide temperature and CTE range (αl = -4.0 to +16.8 x 10-6 K-1, 298–648 K). The thermal expansion can be well adjusted from strong negative to zero, and finally to large positive. Intriguingly, isotropic zero thermal expansion (αl = 2.6 x 10-7 K-1, 298–648 K) has been observed in the composition of (Sc0.8Zr0.2)F3+δ. The controllable thermal expansion in (Sc1-xZrx)F3+δ is correlated to the local structural distortion. Interestingly, the ordered magnetic behavior has been found in the zero thermal expansion compound of (Sc0.8Zr0.2)F3+δ at room temperature, which presumably correlates with the unpaired electron of the lower chemical valence of Zr cation. The present study provides a useful reference to control the thermal expansion and explore the multi-functionalization for NTE materials.

  20. Modified Korteweg–de Vries equation in a negative ion rich hot adiabatic dusty plasma with non-thermal ion and trapped electron

    SciTech Connect

    Adhikary, N. C.; Deka, M. K.; Dev, A. N.; Sarmah, J.

    2014-08-15

    In this report, the investigation of the properties of dust acoustic (DA) solitary wave propagation in an adiabatic dusty plasma including the effect of the non-thermal ions and trapped electrons is presented. The reductive perturbation method has been employed to derive the modified Korteweg–de Vries (mK-dV) equation for dust acoustic solitary waves in a homogeneous, unmagnetized, and collisionless plasma whose constituents are electrons, singly charged positive ions, singly charged negative ions, and massive charged dust particles. The stationary analytical solution of the mK-dV equation is numerically analyzed and where the effect of various dusty plasma constituents DA solitary wave propagation is taken into account. It is observed that both the ions in dusty plasma play as a key role for the formation of both rarefactive as well as the compressive DA solitary waves and also the ion concentration controls the transformation of negative to positive potentials of the waves.

  1. Shear elasticity of isotropic magnetic gels

    NASA Astrophysics Data System (ADS)

    Lopez-Lopez, M. T.; Borin, D. Yu.; Zubarev, A. Yu.

    2017-08-01

    The paper deals with a theoretical study of the effective shear modulus of a magnetic gel, consisting of magnetizable particles randomly and isotropically distributed in an elastic matrix. The effect of an external magnetic field on the composite modulus is the focus of our consideration. We take into account that magnetic interaction between the particles can induce their spatial rearrangement and lead to internal anisotropy of the system. Our results show that, if this magnetically induced anisotropy is insignificant, the applied field reduces the total shear modulus of the composite. Strong anisotropy can qualitatively change the magnetomechanic effect and induce an increase of this modulus with the field.

  2. Isotropic homogeneous universe with viscous fluid

    SciTech Connect

    Santos, N.O.; Dias, R.S.; Banerjee, A.

    1985-04-01

    Exact solutions are obtained for the isotropic homogeneous cosmological model with viscous fluid. The fluid has only bulk viscosity and the viscosity coefficient is taken to be a power function of the mass density. The equation of state assumed obeys a linear relation between mass density and pressure. The models satisfying Hawking's energy conditions are discussed. Murphy's model is only a special case of this general set of solutions and it is shown that Murphy's conclusion that the introduciton of bulk viscosity can avoid the occurrence of space-time singularity at finite past is not, in general, valid.

  3. Small scale dynamics of isotropic viscoelastic turbulence

    NASA Astrophysics Data System (ADS)

    Nguyen, M. Quan; Delache, Alexandre; Simoëns, Serge; Bos, Wouter J. T.; El Hajem, Mamoud

    2016-12-01

    The comparison of the results of direct numerical simulations of isotropic turbulence of Newtonian and viscoelastic fluid provides evidence that viscoelasticity modifies qualitatively the behavior of the smallest scales: we observe a power law in the far dissipation range of the fluid kinetic energy spectrum and we show that it is a robust feature, roughly independent of the large scale dynamics. A detailed analysis of the energy transfer shows that at these scales energy is injected into the fluid flow through polymer relaxation. It is further shown that a part of the total energy is transferred among scales through an interaction of the velocity field with the polymer field.

  4. Spin-glass-like behavior and negative thermal expansion in antiperovskite Mn{sub 3}Ni{sub 1−x}Cu{sub x}N compounds

    SciTech Connect

    Ding, Lei; Wang, Cong Sun, Ying; Colin, Claire V.; Chu, Lihua

    2015-06-07

    The Cu-doping effect on the lattice and magnetic properties in Mn{sub 3}Ni{sub 1−x}Cu{sub x}N (x = 0, 0.3, 0.5, 0.7, 1.0) was extensively investigated. We observed that the Cu-doping at the Ni site complicated the magnetic ground states, which induced the competition of antiferromagnetic and ferromagnetic interactions. Spin-glass-like behavior, arising from possible site-randomness and competing interactions of magnetism, was observed in compounds with x = 0.3, 0.5, and 0.7, and typically discussed by means of the measurement of ac magnetic susceptibility for x = 0.7. The negative thermal expansion (NTE) behavior, due to the magnetic ordering transition, was observed in Mn{sub 3}Ni{sub 1−x}Cu{sub x}N compounds using variable temperature x-ray diffraction. It reveals that the introduction of Cu effectively broadens the temperature range displaying negative thermal expansion. The relationship between the local lattice distortion and the competing magnetic ground states might play an important role in broadening the NTE temperature range in this antiperovskite compound.

  5. Stochastic representations of seismic anisotropy: transversely isotropic effective media models

    NASA Astrophysics Data System (ADS)

    Song, Xin; Jordan, Thomas H.

    2017-06-01

    We apply Jordan's self-consistent, second-order Born theory to compute the effective stiffness tensor for spatially stationary, stochastic models of 3-D elastic heterogeneity. The effects of local anisotropy can be separated from spatially extended geometric anisotropy by factoring the covariance of the moduli into a one-point variance tensor and a two-point correlation function. The latter is incorporated into the rescaled Kneer tensor, which is contracted against the one-point variance tensor to yield a second-order perturbation to the Voigt average. The theory can handle heterogeneity with orthotropic stochastic symmetry, but the calculations presented here are restricted to media with transversely isotropic (TI) statistics. We thoroughly investigate TI stochastic media that are locally isotropic. If the heterogeneity aspect ratio η is unity, the effective medium is isotropic, and the main effect of the scattering is to reduce the moduli. The two limiting regimes are a 2-D vertical stochastic bundle (η → 0), where the P and S anisotropy ratios are negative, and a 1-D horizontal stochastic laminate (η → ∞), where they are positive. The effective-medium equations for the latter yield the second-order approximation to Backus's exact solution, demonstrating the connection between Backus theory and self-consistent effective-media theory. Comparisons of the exact and second-order results for non-Gaussian laminates indicate that the approximation should be adequate for moduli heterogeneities less than about 30 per cent and thus valid for most seismological purposes. We apply the locally isotropic theory to data from the Los Angeles Basin to illustrate how it can be used to explain shallow seismic anisotropy. To assess the relative contributions of geometric and local anisotropy to the effective anisotropy, we consider a rotational model for stochastic anisotropic variability proposed by Jordan. In this model, the axis of a hexagonally symmetric stiffness

  6. New insights into the negative thermal expansion: Direct experimental evidence for the “guitar-string” effect in cubic ScF3

    SciTech Connect

    Hu, Lei; Chen, Jun; Sanson, Andrea; Wu, Hui; Rodriguez, Clara Guglieri; Olivi, Luca; Ren, Yang; Fan, Longlong; Deng, Jinxia; Xing, Xianran

    2016-06-23

    The understanding of the negative thermal expansion (NTE) mechanism remains challenging but critical for the development of NTE materials. This study sheds light on NTE of ScF3, one of the most outstanding materials with NTE. The local dynamics of ScF3 has been investigated by a combined analysis of synchrotron-based X-ray total scattering, ex-tended X-ray absorption fine structure and neutron powder diffraction. Very interestingly, we observe that i) the Sc-F nearest-neighbor distance strongly expands with increasing temperature while the Sc-Sc next-nearest-neighbor distance contracts, ii) the thermal ellipsoids of relative vibrations be-tween Sc-F nearest-neighbors are highly elongated in the direction perpendicular to the Sc-F bond, indicating that the Sc-F bond is much softer to bend than to stretch, and iii) there is mainly dynamically transverse motion of fluorine atoms, rather than static shifts. Here, these results are the direct experimental evidence for the NTE mechanism, in which the rigid unit is not necessary for the occurrence of NTE, and the key role is played by the transverse thermal vibrations of fluorine atoms through the “guitar-string” effect.

  7. New insights into the negative thermal expansion: Direct experimental evidence for the “guitar-string” effect in cubic ScF3

    DOE PAGES

    Hu, Lei; Chen, Jun; Sanson, Andrea; ...

    2016-06-23

    The understanding of the negative thermal expansion (NTE) mechanism remains challenging but critical for the development of NTE materials. This study sheds light on NTE of ScF3, one of the most outstanding materials with NTE. The local dynamics of ScF3 has been investigated by a combined analysis of synchrotron-based X-ray total scattering, ex-tended X-ray absorption fine structure and neutron powder diffraction. Very interestingly, we observe that i) the Sc-F nearest-neighbor distance strongly expands with increasing temperature while the Sc-Sc next-nearest-neighbor distance contracts, ii) the thermal ellipsoids of relative vibrations be-tween Sc-F nearest-neighbors are highly elongated in the direction perpendicular tomore » the Sc-F bond, indicating that the Sc-F bond is much softer to bend than to stretch, and iii) there is mainly dynamically transverse motion of fluorine atoms, rather than static shifts. Here, these results are the direct experimental evidence for the NTE mechanism, in which the rigid unit is not necessary for the occurrence of NTE, and the key role is played by the transverse thermal vibrations of fluorine atoms through the “guitar-string” effect.« less

  8. New Insights into the Negative Thermal Expansion: Direct Experimental Evidence for the "Guitar-String" Effect in Cubic ScF3.

    PubMed

    Hu, Lei; Chen, Jun; Sanson, Andrea; Wu, Hui; Guglieri Rodriguez, Clara; Olivi, Luca; Ren, Yang; Fan, Longlong; Deng, Jinxia; Xing, Xianran

    2016-07-13

    The understanding of the negative thermal expansion (NTE) mechanism remains challenging but critical for the development of NTE materials. This study sheds light on NTE of ScF3, one of the most outstanding materials with NTE. The local dynamics of ScF3 has been investigated by a combined analysis of synchrotron-based X-ray total scattering, extended X-ray absorption fine structure, and neutron powder diffraction. Very interestingly, we observe that (i) the Sc-F nearest-neighbor distance strongly expands with increasing temperature, while the Sc-Sc next-nearest-neighbor distance contracts, (ii) the thermal ellipsoids of relative vibrations between Sc-F nearest-neighbors are highly elongated in the direction perpendicular to the Sc-F bond, indicating that the Sc-F bond is much softer to bend than to stretch, and (iii) there is mainly dynamically transverse motion of fluorine atoms, rather than static shifts. These results are direct experimental evidence for the NTE mechanism, in which the rigid unit is not necessary for the occurrence of NTE, and the key role is played by the transverse thermal vibrations of fluorine atoms through the "guitar-string" effect.

  9. New insights into the negative thermal expansion: Direct experimental evidence for the “guitar-string” effect in cubic ScF3

    SciTech Connect

    Hu, Lei; Chen, Jun; Sanson, Andrea; Wu, Hui; Rodriguez, Clara Guglieri; Olivi, Luca; Ren, Yang; Fan, Longlong; Deng, Jinxia; Xing, Xianran

    2016-06-23

    The understanding of the negative thermal expansion (NTE) mechanism remains challenging but critical for the development of NTE materials. This study sheds light on NTE of ScF3, one of the most outstanding materials with NTE. The local dynamics of ScF3 has been investigated by a combined analysis of synchrotron-based X-ray total scattering, ex-tended X-ray absorption fine structure and neutron powder diffraction. Very interestingly, we observe that i) the Sc-F nearest-neighbor distance strongly expands with increasing temperature while the Sc-Sc next-nearest-neighbor distance contracts, ii) the thermal ellipsoids of relative vibrations be-tween Sc-F nearest-neighbors are highly elongated in the direction perpendicular to the Sc-F bond, indicating that the Sc-F bond is much softer to bend than to stretch, and iii) there is mainly dynamically transverse motion of fluorine atoms, rather than static shifts. Here, these results are the direct experimental evidence for the NTE mechanism, in which the rigid unit is not necessary for the occurrence of NTE, and the key role is played by the transverse thermal vibrations of fluorine atoms through the “guitar-string” effect.

  10. Structural, negative thermal expansion and photocatalytic properties of ZrV{sub 2}O{sub 7}: a comparative study between fibers and powders

    SciTech Connect

    Liu, Qinqin; Yang, Juan; Rong, Xiaoqing; Sun, Xiujuan; Cheng, Xiaonong; Tang, Hua; Li, Haohua

    2014-10-15

    Novel ZrV{sub 2}O{sub 7} microfibers with diameters about 1–3 μm were synthesized using a sol–gel technique. For comparison, ZrV{sub 2}O{sub 7} powders were prepared by the same method. The resultant structures were studied by X-ray diffraction, field-emission scanning electron microscopy and transmission electron microscopy. The results indicated that both the pure ZrV{sub 2}O{sub 7} microfibers and powders could be synthesized by the sol–gel technique. The thermal expansion property of the as-prepared ZrV{sub 2}O{sub 7} microfibers and powders was characterized by a thermal mechanical analyzer, both the fibers with cylindrical morphology and irregular powders with average size between 100 and 200 nm showed negative thermal expansion between 150 °C and 600 °C. The photocatalytic activity of the microfibers was compared to that of powders under UV radiations. The band gap of ZrV{sub 2}O{sub 7} microfibers decreased and its absorption edge exhibited red shift. The microfibers also had a higher surface area compared with the powders, resulting in considerably higher photocatalytic characteristics. The large surface area and the enhanced photocatalytic activity of the ZrV{sub 2}O{sub 7} microfibers also offer potential applications in sensors and inorganic ion exchangers. - Graphical abstract: (a and c) SEM photos of ZrV{sub 2}O{sub 7} powders and fibers. (b and d) TEM images of ZrV{sub 2}O{sub 7} powders and fibers. (e) Thermal expansion curves of ZrV{sub 2}O{sub 7} powders and fibers. (f) Degradation curves of ZrV{sub 2}O{sub 7} powders and ZrV{sub 2}O{sub 7} fibers. - Highlights: • Novel ZrV{sub 2}O{sub 7} fibers could be synthesized using sol–gel technique. • ZrV{sub 2}O{sub 7} powders with irregular shape are also prepared for comparison. • Both ZrV{sub 2}O{sub 7} microfibers and powders exhibit negative thermal expansion property. • ZrV{sub 2}O{sub 7} microfibers show outstanding photocatalytic activity under UV irradiation. • This synthesis

  11. Mechanical metamaterials at the theoretical limit of isotropic elastic stiffness.

    PubMed

    Berger, J B; Wadley, H N G; McMeeking, R M

    2017-02-20

    A wide variety of high-performance applications require materials for which shape control is maintained under substantial stress, and that have minimal density. Bio-inspired hexagonal and square honeycomb structures and lattice materials based on repeating unit cells composed of webs or trusses, when made from materials of high elastic stiffness and low density, represent some of the lightest, stiffest and strongest materials available today. Recent advances in 3D printing and automated assembly have enabled such complicated material geometries to be fabricated at low (and declining) cost. These mechanical metamaterials have properties that are a function of their mesoscale geometry as well as their constituents, leading to combinations of properties that are unobtainable in solid materials; however, a material geometry that achieves the theoretical upper bounds for isotropic elasticity and strain energy storage (the Hashin-Shtrikman upper bounds) has yet to be identified. Here we evaluate the manner in which strain energy distributes under load in a representative selection of material geometries, to identify the morphological features associated with high elastic performance. Using finite-element models, supported by analytical methods, and a heuristic optimization scheme, we identify a material geometry that achieves the Hashin-Shtrikman upper bounds on isotropic elastic stiffness. Previous work has focused on truss networks and anisotropic honeycombs, neither of which can achieve this theoretical limit. We find that stiff but well distributed networks of plates are required to transfer loads efficiently between neighbouring members. The resulting low-density mechanical metamaterials have many advantageous properties: their mesoscale geometry can facilitate large crushing strains with high energy absorption, optical bandgaps and mechanically tunable acoustic bandgaps, high thermal insulation, buoyancy, and fluid storage and transport. Our relatively simple

  12. Mechanical metamaterials at the theoretical limit of isotropic elastic stiffness

    NASA Astrophysics Data System (ADS)

    Berger, J. B.; Wadley, H. N. G.; McMeeking, R. M.

    2017-02-01

    A wide variety of high-performance applications require materials for which shape control is maintained under substantial stress, and that have minimal density. Bio-inspired hexagonal and square honeycomb structures and lattice materials based on repeating unit cells composed of webs or trusses, when made from materials of high elastic stiffness and low density, represent some of the lightest, stiffest and strongest materials available today. Recent advances in 3D printing and automated assembly have enabled such complicated material geometries to be fabricated at low (and declining) cost. These mechanical metamaterials have properties that are a function of their mesoscale geometry as well as their constituents, leading to combinations of properties that are unobtainable in solid materials; however, a material geometry that achieves the theoretical upper bounds for isotropic elasticity and strain energy storage (the Hashin–Shtrikman upper bounds) has yet to be identified. Here we evaluate the manner in which strain energy distributes under load in a representative selection of material geometries, to identify the morphological features associated with high elastic performance. Using finite-element models, supported by analytical methods, and a heuristic optimization scheme, we identify a material geometry that achieves the Hashin–Shtrikman upper bounds on isotropic elastic stiffness. Previous work has focused on truss networks and anisotropic honeycombs, neither of which can achieve this theoretical limit. We find that stiff but well distributed networks of plates are required to transfer loads efficiently between neighbouring members. The resulting low-density mechanical metamaterials have many advantageous properties: their mesoscale geometry can facilitate large crushing strains with high energy absorption, optical bandgaps and mechanically tunable acoustic bandgaps, high thermal insulation, buoyancy, and fluid storage and transport. Our relatively simple

  13. Magnetic and orbital orders coupled to negative thermal expansion in Mott insulators, Ca2Ru1--xM xO4 (M = 3d transition metal ion)

    NASA Astrophysics Data System (ADS)

    Qi, Tongfei

    Ca2RuO4 is a structurally-driven Mott insulator with a metal-insulator (MI) transition at TMI = 357K, followed by a well-separated antiferromagnetic order at T N = 110 K. Slightly substituting Ru with a 3d transition metal ion M effectively shifts TMI and induces exotic magnetic behavior below TN. Moreover, M doping for Ru produces negative thermal expansion in Ca2Ru1-- xMxO4 (M = Cr, Mn, Fe or Cu); the lattice volume expands on cooling with a total volume expansion ratio, DeltaV/V, reaching as high as 1%. The onset of the negative thermal expansion closely tracks TMI and TN, sharply contrasting classic negative thermal expansion that shows no relevance to electronic properties. In addition, the observed negative thermal expansion occurs near room temperature and extends over a wide temperature interval. These findings underscores new physics driven by a complex interplay between orbital, spin and lattice degrees of freedom. These materials constitute a new class of Negative Thermal Expansion (NTE) materials with novel electronic and magnetic functions. KEYWORDS: Transition Metal Oxide, Ruthenate, Negative Thermal Expansion, Single crystal XRD, Invar Effect, Orbital Ordering, Magnetic Ordering, Jahn-Teller Effect.

  14. Isotropization of nematic liquid crystals by TMDSC

    SciTech Connect

    Chen, Wei; Dadmun, M.; Zhang, Ge; Boller, A.; Wunderlich, B. |

    1997-12-01

    Temperature-modulated differential scanning calorimetry (TMDSC) and traditional DSC are used to study the transition between the nematic liquid crystalline state and the isotropic liquid for two small molecules [4,4{prime}-azoxyanisole and N,N`-bis(4-n-octyloxybenzal)-1,4-phenylenediamine] and one macromolecule (4,4{prime}-dihydroxy-{alpha}-methylstilbene copolymerized with a 1:1 molar mixture of 1,7-dibromoheptane and 1,9-dibromononane). The DSC measurements with 4,4{prime}-azoxyanisole were used for temperature calibration with varying heating and cooling rates. Quasi-isothermal TMDSC with small temperature amplitude and standard TMDSC with underlying heating and cooling rates were utilized to analyze the breadth of the transitions. It could be verified that the isotropization transition of a nematic liquid crystal is, indeed, reversible for all three molecules. The nature of the transition changes, however, from relatively sharp, for small, rigid molecules, to about three kelvins wide for the small molecule with flexible ends, to as broad as 20 K for the macromolecule. It was also demonstrated that quantitative heats of fusion of sharp transitions can be extracted from TMDSC, but only from the time-domain heat-flow signal.

  15. Quartz: structural and thermodynamic analyses across the α ↔ β transition with origin of negative thermal expansion (NTE) in β quartz and calcite.

    PubMed

    Antao, Sytle M

    2016-04-01

    The temperature variation, T, of the crystal structure of quartz, SiO2, from 298 to 1235 K was obtained with synchrotron powder X-ray diffraction data and Rietveld structure refinements. The polymorphic transformation from P3221 (low-T, α quartz) to P6222 (high-T, β quartz) occurs at a transition temperature, Ttr = 847 K. The T variations of spontaneous strains and several structural parameters are fitted to an order parameter, Q, using Landau theory. The change in Si atom coordinate, Six, gives Ttr - Tc = 0.49 K, which indicates an α ↔ β transition that is weakly first order and nearly tricritical in character (Q(4) ∝ T). Strains give higher Ttr - Tc values (≃ 7 K). Other fitted parameters are the oxygen Oz coordinate, Si-Si distance, Si-O-Si and ϕ angles, and intensity of the (111) reflection, I111. In α quartz, the Si-Si distance increases with T because of cation repulsion, so the Si-O-Si angle increases (and ϕ decreases) and causes the thermal expansion of the framework structure that consists of corner-sharing distorted rigid SiO4 tetrahedra. The Si-Si distances contract with T and cause negative thermal expansion (NTE) in β quartz because of increasing thermal librations of the O atom in the Si-O-Si linkage that occur nearly perpendicular to the Si-Si contraction. In calcite, CaCO3, the short Ca-Ca distance expands with T, but the next-nearest Ca-Ca distance, which is of equal length to the a axis, contracts with T and causes NTE along the a axis. The thermal librations of the atoms in the rigid CO3 group increase with T along the c axis.

  16. Giant negative thermal expansion covering room temperature in nanocrystalline GaN{sub x}Mn{sub 3}

    SciTech Connect

    Lin, J. C.; Tong, P. Chen, L.; Guo, X. G.; Yang, C.; Song, B.; Wu, Y.; Lin, S.; Song, W. H.; Zhou, X. J.; Lin, H.; Ding, Y. W.; Bai, Y. X.; Sun, Y. P.

    2015-09-28

    Nanocrystalline antiperovskite GaN{sub x}Mn{sub 3} powders were prepared by mechanically milling. The micrograin GaN{sub x}Mn{sub 3} exhibits an abrupt volume contraction at the antiferromagnetic (AFM) to paramagnetic (PM) (AFM-PM) transition. The temperature window of volume contraction (ΔT) is broadened to 50 K as the average grain size (〈D〉) is reduced to ∼30 nm. The corresponding coefficient of linear thermal expansion (α) reaches ∼ −70 ppm/K, which are comparable to those of giant NTE materials. Further reducing 〈D〉 to ∼10 nm, ΔT exceeds 100 K and α remains as large as −30 ppm/K (−21 ppm/K) for x = 1.0 (x = 0.9). Excess atomic displacements together with the reduced structural coherence, revealed by high-energy X-ray pair distribution functions, are suggested to delay the AFM-PM transition. By controlling 〈D〉, giant NTE may also be achievable in other materials with large lattice contraction due to electronic or magnetic phase transitions.

  17. Real wave propagation in the isotropic-relaxed micromorphic model.

    PubMed

    Neff, Patrizio; Madeo, Angela; Barbagallo, Gabriele; d'Agostino, Marco Valerio; Abreu, Rafael; Ghiba, Ionel-Dumitrel

    2017-01-01

    For the recently introduced isotropic-relaxed micromorphic generalized continuum model, we show that, under the assumption of positive-definite energy, planar harmonic waves have real velocity. We also obtain a necessary and sufficient condition for real wave velocity which is weaker than the positive definiteness of the energy. Connections to isotropic linear elasticity and micropolar elasticity are established. Notably, we show that strong ellipticity does not imply real wave velocity in micropolar elasticity, whereas it does in isotropic linear elasticity.

  18. Isotropic quantum scattering and unconventional superconductivity.

    PubMed

    Park, T; Sidorov, V A; Ronning, F; Zhu, J-X; Tokiwa, Y; Lee, H; Bauer, E D; Movshovich, R; Sarrao, J L; Thompson, J D

    2008-11-20

    Superconductivity without phonons has been proposed for strongly correlated electron materials that are tuned close to a zero-temperature magnetic instability of itinerant charge carriers. Near this boundary, quantum fluctuations of magnetic degrees of freedom assume the role of phonons in conventional superconductors, creating an attractive interaction that 'glues' electrons into superconducting pairs. Here we show that superconductivity can arise from a very different spectrum of fluctuations associated with a local (or Kondo-breakdown) quantum critical point that is revealed in isotropic scattering of charge carriers and a sublinear, temperature-dependent electrical resistivity. At this critical point, accessed by applying pressure to the strongly correlated, local-moment antiferromagnet CeRhIn(5), magnetic and charge fluctuations coexist and produce electronic scattering that is maximal at the optimal pressure for superconductivity. This previously unanticipated source of pairing glue opens possibilities for understanding and discovering new unconventional forms of superconductivity.

  19. Kinematical uniqueness of homogeneous isotropic LQC

    NASA Astrophysics Data System (ADS)

    Engle, Jonathan; Hanusch, Maximilian

    2017-01-01

    In a paper by Ashtekar and Campiglia, invariance under volume preserving residual diffeomorphisms has been used to single out the standard representation of the reduced holonomy-flux algebra in homogeneous loop quantum cosmology (LQC). In this paper, we use invariance under all residual diffeomorphisms to single out the standard kinematical Hilbert space of homogeneous isotropic LQC for both the standard configuration space {{{R}}\\text{Bohr}} , as well as for the Fleischhack one {R}\\sqcup {{{R}}\\text{Bohr}} . We first determine the scale invariant Radon measures on these spaces, and then show that the Haar measure on {{{R}}\\text{Bohr}} is the only such measure for which the momentum operator is hermitian w.r.t. the corresponding inner product. In particular, the measure is forced to be identically zero on {R} in the Fleischhack case, so that for both approaches, the standard kinematical LQC-Hilbert space is singled out.

  20. Scattering from isotropic plasma coated nihility sphere

    NASA Astrophysics Data System (ADS)

    Hussan, M. M.; Ghaffar, A.; Alkanhal, Majeed A. S.; Naz, M. Y.; Ur Rehman, Sajjad; Khan, Y.

    2017-06-01

    In this study, it is observed that when an isotropic collisional plasma coating layer is produced on a nihility sphere, its back scattering efficiency becomes non-zero. Field equations, at each interface, are expanded in terms of spherical wave vector functions (SWVFs) by enforcing the extended classical wave scattering theory. Electromagnetic boundary conditions are applied at both interfaces, i.e., free space-plasma and plasma layer-nihility sphere core to obtain the scattering coefficients. The obtained scattering coefficients are used to calculate the forward scattering, back scattering, and extinction efficiencies. The obtained computational results show that an increase in collisional frequency causes a decrease in both forward and backscattered efficiencies and an increase in extinction efficiency. Furthermore, the numerical results indicate that an increase in plasma density causes an increase in both forward and backscattered efficiencies and a decrease in extinction efficiency.

  1. Constitutive model development for isotropic materials

    NASA Technical Reports Server (NTRS)

    Kaufman, A.

    1982-01-01

    The objective is to develop a unified constitutive model for finite-element structural analysis of turbine engine hot section components. This effort constitutes a different approach for nonlinear finite-element computer codes which were heretofore based on classical inelastic methods. A unified constitutive theory will avoid the simplifying assumptions of classical theory and should more accurately represent the behavior of superalloy materials under cyclic loading conditions and high temperature environments. Model development will be directed toward isotropic, cast nickel-base alloys used for aircooled turbine blades and vanes. The contractor will select a base material for model development and an alternate material for verification purposes from a list of three alloys specified by NASA. The candidate alloys represent a cross-section of turbine blade and vane materials of interest to both large and small size engine manufacturers. Material stock for the base and alternate materials will be supplied to the Contractor by the government.

  2. Isotropic MD simulations of dynamic brittle fracture

    SciTech Connect

    Espanol, P.; Rubio, M.A.; Zuniga, I.

    1996-12-01

    The authors present results obtained by molecular dynamics simulations on the propagation of fast cracks in triangular 2D lattices. Their aim is to simulate Mode 1 fracture of brittle isotropic materials. They propose a force law that respects the isotropy of the material. The code yields the correct imposed sound c{sub {parallel}}, shear c{sub {perpendicular}} and surface V{sub R} wave speeds. Different notch lengths are systematically studied. They observed that initially the cracks are linear and always branch at a particular critical velocity c* {approx} 0.8V{sub R} and that this occurs when the crack tip reaches the position of a front emitted from the initial crack tip and propagating at a speed c = 0.68V{sub R}.

  3. Isotropic cosmological singularities: other matter models

    NASA Astrophysics Data System (ADS)

    Tod, K. P.

    2003-02-01

    Isotropic cosmological singularities are singularities which can be removed by rescaling the metric. In some cases already studied, the existence and uniqueness of cosmological models with data at the singularity has been established (Anguige K and Tod K P 1999 Ann. Phys., NY 276 257-93, 294-320, Anguige K 2000 Ann. Phys., NY 285 395-419). These were cosmologies with, as source, either perfect fluids with linear equations of state or massless, collisionless particles. In this paper, we consider how to extend these results to a variety of other matter models. These are scalar fields, massive collisionless matter, the Yang-Mills plasma given by Choquet-Bruhat (Choquet-Bruhat Y 1996 Yang-Mills plasmas Global Structure and Evolution in General Relativity (Springer Lecture Notes in Physics vol 460) ed S Cotsakis and G W Gibbons (Berlin: Springer)) and matter satisfying the Einstein-Boltzmann equation.

  4. Can we remove the systematic error due to isotropic inhomogeneities?

    NASA Astrophysics Data System (ADS)

    Negishi, Hiroyuki; Nakao, Ken-ichi

    2017-01-01

    Usually, we assume that there is no inhomogeneity isotropic in terms of our location in our Universe. This assumption has not been observationally confirmed yet in sufficient accuracy, and we need to consider the possibility that there are non-negligible large-scale isotropic inhomogeneities in our Universe. The existence of large-scale isotropic inhomogeneities affects the determination of cosmological parameters. In particular, from only the distance-redshift relation, we cannot distinguish the inhomogeneous isotropic universe model from the homogeneous isotropic one, because of the ambiguity in the cosmological parameters. In this paper, in order to avoid such ambiguity, we consider three observables—the distance-redshift relation, the fluctuation spectrum of the cosmic microwave background radiation, and the scale of the baryon acoustic oscillation—and compare these observables in two universe models. One is the inhomogeneous isotropic universe model with the cosmological constant, and the other is the homogeneous isotropic universe model with dark energy other than the cosmological constant. We show that these two universe models cannot predict the same observational data of all three observables but the same ones of only two of three, as long as the perturbations are adiabatic. In principle, we can distinguish the inhomogeneous isotropic universe from the homogeneous isotropic one through the appropriate three observables, if the perturbations are adiabatic.

  5. Development of finely dispersed Ti- and Zr-doped isotropic graphites for the divertor of next step fusion devices

    NASA Astrophysics Data System (ADS)

    López-Galilea, I.; García-Rosales, C.; Pintsuk, G.; Linke, J.

    2007-03-01

    Finely dispersed Ti- and Zr-doped isotropic graphites have been manufactured using three different starting raw materials. The aim is to obtain doped fine grain isotropic graphites with reduced chemical erosion, high thermal shock resistance and low cost, which aim to be competitive with present carbon-based candidate materials for next step fusion devices. First ITER relevant thermal shock loads were applied on test specimens of these materials. The brittle destruction behaviour of graphite is greatly improved by doping with Ti or Zr, most probably due to a significant increase of thermal conductivity related to the catalytic effect of TiC and ZrC on the graphitization. Doped graphites manufactured with the synthetic mesophase pitch 'AR' as raw material showed the best performance from the three investigated raw materials due to its higher graphitability. The eroded surfaces of doped graphites exhibit a thin solidified carbide layer, probably caused by the segregation of liquid carbide during the thermal shot.

  6. Velocity analysis for transversely isotropic media

    SciTech Connect

    Alkhalifah, T.; Tsvankin, I.

    1994-08-01

    The main difficulty in extending seismic processing to anisotropic media is the recovery of anisotropic velocity fields from surface reflection data. Velocity analysis for transversely isotropic (TI) media can be done by inverting the dependence of P-wave moveout velocities on the ray parameter. P-wave NMO velocity in homogeneous TI media with a vertical symmetry axis depends just on the zero-dip value V{sub nmo} and a new effective parameter {eta} that reduces to the difference between Thomsen parameters {epsilon} and {delta} in the limit of weak anisotropy. It is possible to obtain {eta} and reconstruct the NMO velocity as a function of ray parameter using moveout velocities for two different dips. Moreover, V{sub nmo}(0) and {eta} determine not only the NMO velocity, but also also long-spread (nonhyperbollic) P-wave moveout for horizontal reflectors and time-migration impulse response. Inversion of dip-moveout information allows performance of all time-processing steps in TI media using only surface P-wave data. Isotropic time-processing methods remain entirely valid for elliptical anisotropy ({epsilon} = {delta}). Accurate time-to-depth conversion, however, requires the vertical velocity V{sub P0} be resolved independently. If I-P0 is known, then allisotropies {epsilon} and {delta} can be found by inverting two P-wave NMO velocities corresponding to a horizontal and a dipping reflector. If no information is available, all three parameters (V {sub P0}, {epsilon}, and {delta}) can be obtained by combining inversion results with shear-wave information. such as the P-SV or SV-SV wave NMO velocities for a horizontal reflector. Generalization of Tsvankin`s single-layer NMO equation for layered anisotropic media with a dipping reflector provides a basis for extending anisotropic velocity analysis to vertically inhomogeneous media. The influence of a stratified overburden on moveout velocity can be stripped through a Dix-type differentiation procedure.

  7. Negative thermal expansion in the Russian blue analog Zn3[Fe(CN)6]2: x-ray diffraction and neutron vibrational studies

    SciTech Connect

    Nakotte, Heinz; Daemen, Luke; Adak, Sourav

    2009-01-01

    The cubic Prussian Blue (PB) analog, Zn{sub 3} [Fe(CN){sub 6}]{sub 2}, has been studied by X-ray powder diffraction and inelastic neutron scattering (INS). X-ray data collected at 300 and 84 K revealed negative thermal expansion (NTE) behavior for this material. The NTE coefficient was found to be -31.1 x 10{sup -6} K{sup -1}. The neutron vibrational spectrum for Zn{sub 3}[Fe(CN){sub 6}]{sub 2}.xH{sub 2}O, was studied in detail. The INS spectrum showed well-defined, well-separated bands corresponding to the stretching of and deformation modes of the Fe and Zn octahedra, all below 800 cm{sup -1}.

  8. HYDROGEN ATOM THERMAL PARAMETERS.

    PubMed

    JENSEN, L H; SUNDARALINGAM, M

    1964-09-11

    Isotropic hydrogen atom thermal parameters for N,N'- hexamethylenebispropionamide have been determined. They show a definite trend and vary from approximately the same as the mean thermal parameters for atoms other than hydrogen near the center of the molecule to appreciably greater for atoms near the end. The indicated trend for this compound, along with other results, provides the basis for a possible explanation of the anomolous values that have been obtained for hydrogen atom thermal parameters.

  9. Cold microgradients elicit adaptive behavior in isotropically cooled, inert populations of Oxytricha bifaria (Ciliophora, Hypotrichida).

    PubMed

    Barbanera, F; Erra, F; Ricci, N

    2000-01-01

    To complete our investigations on the oriented behavioral response of isotropically cooled, inert populations of Oxytricha bifaria to a warm thermal gradient, their physiological potentialities under cold microgradient conditions arising at 8.5 degrees C were studied. We monitored the behavior of the experimental populations, both at the level of the passing cold wave front, and afterwards when the thermal gradient stabilized, evaluating (i) their distribution in general, (ii) their relative centroids, (iii) the percentage of both backward creeping and immobile ciliates, and (iv) the numerical indices and rates of their creeping tracks. At the arrival of the cold wave front, the oxytrichas react immediately to the thermal stimulus, creep backwards at very high velocity along uninterrupted linear tracks, and thus move away from the cooling source. No specific behavioral response was ever observed in the static microgradient conditions. At 8.5 degrees C, despite their inertness, the ciliates are still able to behave adaptively, reacting immediately and orientatedly, once a directional factor (the cold-repelling thermal gradient) arises in an isotropic environment. This is similar to their behavior in the symmetric warm attracting thermal gradient.

  10. Broad Negative Thermal Expansion Operation-Temperature Window Achieved by Adjusting Fe-Fe Magnetic Exchange Coupling in La(Fe,Si)13 Compounds.

    PubMed

    Li, Shaopeng; Huang, Rongjin; Zhao, Yuqiang; Li, Wen; Wang, Wei; Huang, Chuanjun; Gong, Pifu; Lin, Zheshuai; Li, Laifeng

    2015-08-17

    Cubic La(Fe,Si)13-based compounds have been recently developed as promising negative thermal expansion(NTE) materials, but the narrow NTE operation-temperature window(∼110 K) restricts their actual applications. In this work, we demonstrate that the NTE operation-temperature window of LaFe(13-x)Si(x) can be significantly broadened by adjusting Fe-Fe magnetic exchange coupling as x ranges from 2.8 to 3.1. In particular, the NTE operation-temperature window of LaFe10.1Si2.9 is extended to 220 K. More attractively, the coefficients of thermal expansion of LaFe10.0Si3.0 and LaFe9.9Si3.1 are homogeneous in the NTE operation-temperature range of about 200 K, which is much valuable for the stability of fabricating devices. The further experimental characterizations combined with first-principles studies reveal that the tetragonal phase is gradually introduced into the cubic phase as the Si content increases, hence modifies the Fe-Fe interatomic distance. The reduction of the overall Fe-Fe magnetic exchange interactions contributes to the broadness of NTE operation-temperature window for LaFe(13-x)Si(x).

  11. Models for low-energy Lorentz violation in the photon sector: Addendum to 'Consistency of isotropic modified Maxwell theory'

    NASA Astrophysics Data System (ADS)

    Klinkhamer, F. R.; Schreck, M.

    2012-03-01

    In a previous article, Klinkhamer and Schreck (2011) [1], we established the consistency of isotropic modified Maxwell theory for a finite range of the Lorentz-violating parameter κ, which includes both positive and negative values of κ. As an aside, we mentioned the existence of a physical model which, for low-energy photons, gives rise to isotropic modified Maxwell theory with a positive parameter κ (corresponding to a "slow" photon). Here, we present a related model which gives rise to isotropic modified Maxwell theory with a negative parameter κ (corresponding to a "fast" photon). Both models have an identical particle content, photon and Dirac particles, but differ in the type of spacetime manifold considered.

  12. A thermalization energy analysis of the threshold voltage shift in amorphous indium gallium zinc oxide thin film transistors under simultaneous negative gate bias and illumination

    NASA Astrophysics Data System (ADS)

    Flewitt, A. J.; Powell, M. J.

    2014-04-01

    It has been previously observed that thin film transistors (TFTs) utilizing an amorphous indium gallium zinc oxide (a-IGZO) semiconducting channel suffer from a threshold voltage shift when subjected to a negative gate bias and light illumination simultaneously. In this work, a thermalization energy analysis has been applied to previously published data on negative bias under illumination stress (NBIS) in a-IGZO TFTs. A barrier to defect conversion of 0.65-0.75 eV is extracted, which is consistent with reported energies of oxygen vacancy migration. The attempt-to-escape frequency is extracted to be 106-107 s-1, which suggests a weak localization of carriers in band tail states over a 20-40 nm distance. Models for the NBIS mechanism based on charge trapping are reviewed and a defect pool model is proposed in which two distinct distributions of defect states exist in the a-IGZO band gap: these are associated with states that are formed as neutrally charged and 2+ charged oxygen vacancies at the time of film formation. In this model, threshold voltage shift is not due to a defect creation process, but to a change in the energy distribution of states in the band gap upon defect migration as this allows a state formed as a neutrally charged vacancy to be converted into one formed as a 2+ charged vacancy and vice versa. Carrier localization close to the defect migration site is necessary for the conversion process to take place, and such defect migration sites are associated with conduction and valence band tail states. Under negative gate bias stressing, the conduction band tail is depleted of carriers, but the bias is insufficient to accumulate holes in the valence band tail states, and so no threshold voltage shift results. It is only under illumination that the quasi Fermi level for holes is sufficiently lowered to allow occupation of valence band tail states. The resulting charge localization then allows a negative threshold voltage shift, but only under conditions

  13. Active Colloids in Isotropic and Anisotropic Electrolytes

    NASA Astrophysics Data System (ADS)

    Peng, Chenhui

    Electrically driven flows of fluids with respect to solid surfaces (electro-osmosis) and transport of particles in fluids (electrophoresis), collectively called electrokinetics, is a technologically important area of modern science. In this thesis, we study the electrokinetic phenomena in both isotropic and anisotropic fluids. A necessary condition of electrokinetics is separation of electric charges in space. In classic linear electrokinetics, with an isotropic electrolyte such as water, the charges are separated through dissociation of ionic groups at the solid-fluid interface; presence of the electric field is not required. In the nonlinear electrokinetics, the charges are separated with the assistance of the electric field. In the so-called induced-charge electro-osmosis (ICEO) the electric field separates charges near strongly polarizable surfaces such as metals. We establish the patterns of electro-osmotic velocities caused by nonlinear ICEO around an immobilized metallic and Janus (metallic-dielectric) spheres placed in water. In the case of the Janus particles, the flows are asymmetric, which results in pumping of water around the particle if it is immobilized, or in electrophoresis is the particle is free. When the isotropic electrolyte such as water is replaced with a LC electrolyte, the mechanism of the field-assisted charge separation becomes very different. Namely, the charges are separated at the director gradients, thanks to the anisotropy of electric conductivity and dielectric permittivity of the LC. These distortions can be created by the colloidal particles placed in the LC. We demonstrate the occurrence of nonlinear LC-enabled electro-osmosis (LCEO) by studying the flow patterns around colloidal spheres with different surface anchoring. LCEO velocities grow with the square of the electric field, which allows one to use an AC field to drive steady flows and to avoid electrode damage. Director distortions needed to trigger the LCEO can also be

  14. Quartz: structural and thermodynamic analyses across the α ↔ β transition with origin of negative thermal expansion (NTE) in β quartz and calcite

    SciTech Connect

    Antao, Sytle M.

    2016-04-01

    The temperature variation,T, of the crystal structure of quartz, SiO2, from 298 to 1235 K was obtained with synchrotron powder X-ray diffraction data and Rietveld structure refinements. The polymorphic transformation fromP3221 (low-T, α quartz) toP6222 (high-T, β quartz) occurs at a transition temperature,Ttr= 847 K. TheTvariations of spontaneous strains and several structural parameters are fitted to an order parameter,Q, using Landau theory. The change in Si atom coordinate, Six, givesTtr-Tc= 0.49 K, which indicates an α ↔ β transition that is weakly first order and nearly tricritical in character (Q4T). Strains give higherTtr-Tcvalues (≃ 7 K). Other fitted parameters are the oxygen Ozcoordinate, Si—Si distance, Si—O—Si and φ angles, and intensity of the (111) reflection,I111. In α quartz, the Si—Si distance increases withTbecause of cation repulsion, so the Si—O—Si angle increases (and φ decreases) and causes the thermal expansion of the framework structure that consists of corner-sharing distorted rigid SiO4tetrahedra. The Si—Si distances contract withTand cause negative thermal expansion (NTE) in β quartz because of increasing thermal librations of the O atom in the Si—O—Si linkage that occur nearly perpendicular to the Si—Si contraction. In calcite, CaCO3, the short Ca—Ca distance expands withT, but the next-nearest Ca—Ca distance, which is of equal length to theaaxis, contracts withTand causes NTE along

  15. Theoretical and experimental plastic strain ratios in planar isotropic textures

    NASA Astrophysics Data System (ADS)

    Kim, Insoo

    1996-06-01

    The plastic strain ratios of planar isotropic sheet specimens were studied by using unidirectionally solidified commercial Al. Sn and Al-Cu alloy sheets and Cu sheets electrodeposited under the various electrolysis conditions. The measured plastic strain ratios of [100] planar isotropic sheets by using unidirectionally solidified Al and Al-Cu alloy are about 0.17-0.52, that of [110] planar isotropic sheets using unidirectionally solidified Sn(BCT) are about 2.5, that of [110] planar isotropic sheets using electrodeposited Cu are 1.38-2.05 and that of [111] planar isotropic sheets using electrodeposited Cu are 2.61-2.85. There is a substantial discrepancy between the experimental plastic strain ratios which are measured from planar isotropic sheets and theoretical plastic strain ratios which are calculated by Backofen method and Bunge method, but the measured plastic strain ratio of [100] planar isotropic sheet using unidirectionally solidified Al and Al-Cu alloy is in good agreement with Bunge method and the measured plastic strain ratio of [110] and [111] planar isotropic sheets using electrodeposited Cu are in good agreement with Backofen method.

  16. Influence of powder properties on the sintering of polyaromatic mesophases to high-strength isotropic graphite

    SciTech Connect

    Braun, M.; Gschwindt, A.; Hoffmann, W.R.

    1995-09-01

    The paper reviews the state of the art in sintering of polyaromatic mesophase powders to high-strength isotropic carbons and graphites. Synthesis of mesophase pitches from different precursor materials (petroleum- and coal tar pitch) using a net thermal or a catalyzed process, the preparation of mesophase powders from mesophase pitches and the influence of the powder properties on the sintering are discussed. Special attention is given to the role of thermoplasticity and the particle size of the mesophase powder as key properties for the production of high-strength carbons and graphites. After a graphitization treatment, isotropic graphites with a flexural strength of 160 MPa can be obtained, a value which probably represents an upper limit.

  17. On the decay of homogeneous isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Skrbek, L.; Stalp, Steven R.

    2000-08-01

    Decaying homogeneous, isotropic turbulence is investigated using a phenomenological model based on the three-dimensional turbulent energy spectra. We generalize the approach first used by Comte-Bellot and Corrsin [J. Fluid Mech. 25, 657 (1966)] and revised by Saffman [J. Fluid Mech. 27, 581 (1967); Phys. Fluids 10, 1349 (1967)]. At small wave numbers we assume the spectral energy is proportional to the wave number to an arbitrary power. The specific case of power 2, which follows from the Saffman invariant, is discussed in detail and is later shown to best describe experimental data. For the spectral energy density in the inertial range we apply both the Kolmogorov -5/3 law, E(k)=Cɛ2/3k-5/3, and the refined Kolmogorov law by taking into account intermittency. We show that intermittency affects the energy decay mainly by shifting the position of the virtual origin rather than altering the power law of the energy decay. Additionally, the spectrum is naturally truncated due to the size of the wind tunnel test section, as eddies larger than the physical size of the system cannot exist. We discuss effects associated with the energy-containing length scale saturating at the size of the test section and predict a change in the power law decay of both energy and vorticity. To incorporate viscous corrections to the model, we truncate the spectrum at an effective Kolmogorov wave number kη=γ(ɛ/v3)1/4, where γ is a dimensionless parameter of order unity. We show that as the turbulence decays, viscous corrections gradually become more important and a simple power law can no longer describe the decay. We discuss the final period of decay within the framework of our model, and show that care must be taken to distinguish between the final period of decay and the change of the character of decay due to the saturation of the energy containing length scale. The model is applied to a number of experiments on decaying turbulence. These include the downstream decay of turbulence in

  18. Causality, Nonlocality, and Negative Refraction.

    PubMed

    Forcella, Davide; Prada, Claire; Carminati, Rémi

    2017-03-31

    The importance of spatial nonlocality in the description of negative refraction in electromagnetic materials has been put forward recently. We develop a theory of negative refraction in homogeneous and isotropic media, based on first principles, and that includes nonlocality in its full generality. The theory shows that both dissipation and spatial nonlocality are necessary conditions for the existence of negative refraction. It also provides a sufficient condition in materials with weak spatial nonlocality. These fundamental results should have broad implications in the theoretical and practical analyses of negative refraction of electromagnetic and other kinds of waves.

  19. A Transversely Isotropic Thermo-mechanical Framework for Oil Shale

    NASA Astrophysics Data System (ADS)

    Semnani, S. J.; White, J. A.; Borja, R. I.

    2014-12-01

    The present study provides a thermo-mechanical framework for modeling the temperature dependent behavior of oil shale. As a result of heating, oil shale undergoes phase transformations, during which organic matter is converted to petroleum products, e.g. light oil, heavy oil, bitumen, and coke. The change in the constituents and microstructure of shale at high temperatures dramatically alters its mechanical behavior e.g. plastic deformations and strength, as demonstrated by triaxial tests conducted at multiple temperatures [1,2]. Accordingly, the present model formulates the effects of changes in the chemical constituents due to thermal loading. It is well known that due to the layered structure of shale its mechanical properties in the direction parallel to the bedding planes is significantly different from its properties in the perpendicular direction. Although isotropic models simplify the modeling process, they fail to accurately describe the mechanical behavior of these rocks. Therefore, many researchers have studied the anisotropic behavior of rocks, including shale [3]. The current study presents a framework to incorporate the effects of transverse isotropy within a thermo-mechanical formulation. The proposed constitutive model can be readily applied to existing finite element codes to predict the behavior of oil shale in applications such as in-situ retorting process and stability assessment in petroleum reservoirs. [1] Masri, M. et al."Experimental Study of the Thermomechanical Behavior of the Petroleum Reservoir." SPE Eastern Regional/AAPG Eastern Section Joint Meeting. Society of Petroleum Engineers, 2008. [2] Xu, B. et al. "Thermal impact on shale deformation/failure behaviors---laboratory studies." 45th US Rock Mechanics/Geomechanics Symposium. American Rock Mechanics Association, 2011. [3] Crook, AJL et al. "Development of an orthotropic 3D elastoplastic material model for shale." SPE/ISRM Rock Mechanics Conference. Society of Petroleum Engineers

  20. Nonlinear elastic inclusions in isotropic solids

    PubMed Central

    Yavari, Arash; Goriely, Alain

    2013-01-01

    We introduce a geometric framework to calculate the residual stress fields and deformations of nonlinear solids with inclusions and eigenstrains. Inclusions are regions in a body with different reference configurations from the body itself and can be described by distributed eigenstrains. Geometrically, the eigenstrains define a Riemannian 3-manifold in which the body is stress-free by construction. The problem of residual stress calculation is then reduced to finding a mapping from the Riemannian material manifold to the ambient Euclidean space. Using this construction, we find the residual stress fields of three model systems with spherical and cylindrical symmetries in both incompressible and compressible isotropic elastic solids. In particular, we consider a finite spherical ball with a spherical inclusion with uniform pure dilatational eigenstrain and we show that the stress in the inclusion is uniform and hydrostatic. We also show how singularities in the stress distribution emerge as a consequence of a mismatch between radial and circumferential eigenstrains at the centre of a sphere or the axis of a cylinder. PMID:24353470

  1. Crossover from isotropic to directed percolation

    NASA Astrophysics Data System (ADS)

    Zhou, Zongzheng; Yang, Ji; Ziff, Robert M.; Deng, Youjin

    2012-08-01

    We generalize the directed percolation (DP) model by relaxing the strict directionality of DP such that propagation can occur in either direction but with anisotropic probabilities. We denote the probabilities as p↓=ppd and p↑=p(1-pd), with p representing the average occupation probability and pd controlling the anisotropy. The Leath-Alexandrowicz method is used to grow a cluster from an active seed site. We call this model with two main growth directions biased directed percolation (BDP). Standard isotropic percolation (IP) and DP are the two limiting cases of the BDP model, corresponding to pd=1/2 and pd=0,1 respectively. In this work, besides IP and DP, we also consider the 1/2

  2. Spectra and statistics in compressible isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Wang, Jianchun; Gotoh, Toshiyuki; Watanabe, Takeshi

    2017-01-01

    Spectra and one-point statistics of velocity and thermodynamic variables in isotropic turbulence of compressible fluid are examined by using numerical simulations with solenoidal forcing at the turbulent Mach number Mt from 0.05 to 1.0 and at the Taylor Reynolds number Reλ from 40 to 350. The velocity field is decomposed into a solenoidal component and a compressible component in terms of the Helmholtz decomposition, and the compressible velocity component is further decomposed into a pseudosound component, namely, the hydrodynamic component associated with the incompressible field and an acoustic component associated with sound waves. It is found that the acoustic mode dominates over the pseudosound mode at turbulent Mach numbers Mt≥0.4 in our numerical simulations. At turbulent Mach numbers Mt≤0.4 , there exists a critical wave number kc beyond which the pseudosound mode dominates while the acoustic mode dominates at small wave numbers k

  3. Constitutive modeling for isotropic materials (HOST)

    NASA Technical Reports Server (NTRS)

    Lindholm, Ulric S.; Chan, Kwai S.; Bodner, S. R.; Weber, R. M.; Walker, K. P.; Cassenti, B. N.

    1984-01-01

    The results of the first year of work on a program to validate unified constitutive models for isotropic materials utilized in high temperature regions of gas turbine engines and to demonstrate their usefulness in computing stress-strain-time-temperature histories in complex three-dimensional structural components. The unified theories combine all inelastic strain-rate components in a single term avoiding, for example, treating plasticity and creep as separate response phenomena. An extensive review of existing unified theories is given and numerical methods for integrating these stiff time-temperature-dependent constitutive equations are discussed. Two particular models, those developed by Bodner and Partom and by Walker, were selected for more detailed development and evaluation against experimental tensile, creep and cyclic strain tests on specimens of a cast nickel base alloy, B19000+Hf. Initial results comparing computed and test results for tensile and cyclic straining for temperature from ambient to 982 C and strain rates from 10(exp-7) 10(exp-3) s(exp-1) are given. Some preliminary date correlations are presented also for highly non-proportional biaxial loading which demonstrate an increase in biaxial cyclic hardening rate over uniaxial or proportional loading conditions. Initial work has begun on the implementation of both constitutive models in the MARC finite element computer code.

  4. Microplane constitutive model for porous isotropic rocks

    NASA Astrophysics Data System (ADS)

    Baant, Zdenk P.; Zi, Goangseup

    2003-01-01

    The paper deals with constitutive modelling of contiguous rock located between rock joints. A fully explicit kinematically constrained microplane-type constitutive model for hardening and softening non-linear triaxial behaviour of isotropic porous rock is developed. The microplane framework, in which the constitutive relation is expressed in terms of stress and strain vectors rather than tensors, makes it possible to model various microstructural physical mechanisms associated with oriented internal surfaces, such as cracking, slip, friction and splitting of a particular orientation. Formulation of the constitutive relation is facilitated by the fact that it is decoupled from the tensorial invariance restrictions, which are satisfied automatically. In its basic features, the present model is similar to the recently developed microplane model M4 for concrete, but there are significant improvements and modifications. They include a realistic simulation of (1) the effects of pore collapse on the volume changes during triaxial loading and on the reduction of frictional strength, (2) recovery of frictional strength during shearing, and (3) the shear-enhanced compaction in triaxial tests, manifested by a deviation from the hydrostatic stress-strain curve. The model is calibrated by optimal fitting of extensive triaxial test data for Salem limestone, and good fits are demonstrated. Although these data do not cover the entire range of behaviour, credence in broad capabilities of the model is lend by its similarity to model M4 for concrete - an artificial rock. The model is intended for large explicit finite-element programs.

  5. Constitutive modeling for isotropic materials (HOST)

    NASA Technical Reports Server (NTRS)

    Lindholm, U. S.; Chan, K. S.; Bodner, S. R.; Weber, R. M.; Walker, K. P.; Cassenti, B. N.

    1985-01-01

    This report presents the results of the second year of work on a problem which is part of the NASA HOST Program. Its goals are: (1) to develop and validate unified constitutive models for isotropic materials, and (2) to demonstrate their usefulness for structural analyses of hot section components of gas turbine engines. The unified models selected for development and evaluation are that of Bodner-Partom and Walker. For model evaluation purposes, a large constitutive data base is generated for a B1900 + Hf alloy by performing uniaxial tensile, creep, cyclic, stress relation, and thermomechanical fatigue (TMF) tests as well as biaxial (tension/torsion) tests under proportional and nonproportional loading over a wide range of strain rates and temperatures. Systematic approaches for evaluating material constants from a small subset of the data base are developed. Correlations of the uniaxial and biaxial tests data with the theories of Bodner-Partom and Walker are performed to establish the accuracy, range of applicability, and integability of the models. Both models are implemented in the MARC finite element computer code and used for TMF analyses. Benchmark notch round experiments are conducted and the results compared with finite-element analyses using the MARC code and the Walker model.

  6. Isotropical conductive adhesives filled with silver nanowires

    NASA Astrophysics Data System (ADS)

    Tao, Y.; Xia, Y. P.; Zhang, G. Q.; Wu, H. P.; Tao, G. L.

    2009-07-01

    In this study, a solution-phase method was demonstrated to generate silver (Ag) nanowires with diameters in the range of 30~50nm and lengths of up to ~50μm, which was proceed by reducing silver nitrate with ethylene glycol in the presence of poly(vinyl pyrrolidone) (PVP). Fundamental material characterizations including X-ray diffraction transmission electro microscopy (TEM) and scanning electro microscopy (SEM) were conducted on these Ag nanowires. A novel kind of isotropical conductive adhesives (ICA) was prepared by using these Ag nanowires as conductive filler. Electrical property including bulk resistivity and mechanical property including shear strength were investigated and compared with that of conventional ICA filled with micrometer-sized Ag particles or nanometer-sized Ag particles. The average diameter of these Ag particles is about 1μm and 100 nm respectively. The results shown that ICA filled Ag nanowires exhibited higher conductivity, higher shear strength and low percolation threshold value than traditional ICA. Possible conductive mechanism was discussed based on theory calculation.

  7. Centrifugal acceleration in the isotropic photon field

    NASA Astrophysics Data System (ADS)

    Bakhtadze, G. G.; Berezhiani, V. I.; Osmanov, Z.

    In this paper, we study centrifugal acceleration of particles moving along a prescribed rotating curved trajectories. We consider the physical system embedded in an isotropic photon field and study the influence of the photon drag force on the acceleration process. For this purpose, we study three major configurations of the field lines: the straight line, the Archimede spiral and the dipolar field line configuration. By analyzing dynamics of particles sliding along the field lines in the equatorial plane, we have found several interesting features of motion. In particular, it has been shown that for rectilinear field lines, the particles reach the light cylinder (area where the linear velocity of rotation exactly equals the speed of light) zone relatively slowly for bigger drag forces. Considering the Archimedes’ spiral, we have found that in cases when the field lines lag behind the rotation, the particles achieve the force-free regime of dynamics regardless of the drag force. Unlike this scenario, when the spiral is oriented in an opposite direction, the particles do not reach the force free regime, but tend to stable equilibrium locations.

  8. Isotropic microscale mechanical properties of coral skeletons

    PubMed Central

    Pasquini, Luca; Molinari, Alan; Fantazzini, Paola; Dauphen, Yannicke; Cuif, Jean-Pierre; Levy, Oren; Dubinsky, Zvy; Caroselli, Erik; Prada, Fiorella; Goffredo, Stefano; Di Giosia, Matteo; Reggi, Michela; Falini, Giuseppe

    2015-01-01

    Scleractinian corals are a major source of biogenic calcium carbonate, yet the relationship between their skeletal microstructure and mechanical properties has been scarcely studied. In this work, the skeletons of two coral species: solitary Balanophyllia europaea and colonial Stylophora pistillata, were investigated by nanoindentation. The hardness HIT and Young's modulus EIT were determined from the analysis of several load–depth data on two perpendicular sections of the skeletons: longitudinal (parallel to the main growth axis) and transverse. Within the experimental and statistical uncertainty, the average values of the mechanical parameters are independent on the section's orientation. The hydration state of the skeletons did not affect the mechanical properties. The measured values, EIT in the 76–77 GPa range, and HIT in the 4.9–5.1 GPa range, are close to the ones expected for polycrystalline pure aragonite. Notably, a small difference in HIT is observed between the species. Different from corals, single-crystal aragonite and the nacreous layer of the seashell Atrina rigida exhibit clearly orientation-dependent mechanical properties. The homogeneous and isotropic mechanical behaviour of the coral skeletons at the microscale is correlated with the microstructure, observed by electron microscopy and atomic force microscopy, and with the X-ray diffraction patterns of the longitudinal and transverse sections. PMID:25977958

  9. Shocklet statistics in compressible isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Wang, Jianchun; Gotoh, Toshiyuki; Watanabe, Takeshi

    2017-02-01

    Shocklet statistics in compressible isotropic turbulence are studied by using numerical simulations with solenoidal forcing, at the turbulent Mach number Mt ranging from 0.5 up to 1.0 and at the Taylor Reynolds number Reλ ranging from 110 to 250. A power-law region of the probability density function (PDF) of the shocklet strength Mn-1 (Mn is the normal shock Mach number) is observed. The magnitude of the power-law exponent is found to decrease with the increase of Mt. We show that the most probable shocklet strength is proportional to Mt3, and the shocklet thickness corresponding to the most probable shock Mach number is proportional to Mt-2 in our numerical simulations. The PDFs of the jumps of the velocity and thermodynamic variables across a shocklet exhibit a similar power-law scaling. The statistics of the jumps of the velocity and thermodynamic variables are further investigated by conditioned average. Nonlinear models for the conditional average of the jumps of the velocity and thermodynamic variables are developed and verified.

  10. Analytical investigation of stratified isotropic media

    NASA Astrophysics Data System (ADS)

    Vytovtov, Konstantin A.

    2005-04-01

    A rigorous analytical approach for investigating a stratified medium with an arbitrary finite number of homogeneous isotropic layers in a period is developed. The approach is based on the translation matrix method. It is well known that the translation matrix for a period must be found as the product of the layer matrices. It is proved that this matrix can be represented as a finite sum of trigonometric matrices, and thus the dispersion relation of a stratified medium is written in an analytical form. All final expressions are obtained in terms of the constitutive parameters. To this author's knowledge, this is the first time that the new sign function that allows us to develop the presented analytical results has been described. The condition of the existence of a wave with an arbitrary period divisible by a structure period is found in analytical form. It is proved that changing the layer arrangement within the period does not affect the structure of the transmission and absorption bands.

  11. Fluctuations of thermodynamic variables in compressible isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Donzis, Diego; Jagannathan, Shriram

    2014-11-01

    A distinguishing feature of compressible turbulence is the appearance of fluctuations of thermodynamic variables. While their importance is well-known in understanding these flows, some of their basic characteristics such as the Reynolds and Mach number dependence are not well understood. We use a large database of Direct Numerical Simulation of stationary compressible isotropic turbulence on up to 20483 grids at Taylor Reynolds numbers up to 450 and a range of Mach numbers (Mt ~ 0 . 1 - 0 . 6) to examine statistical properties of thermodynamic variables. Our focus is on the PDFs and moments of pressure, density and temperature. While results at low Mt are consistent with incompressible results, qualitative changes are observed at higher Mt with a transition around Mt ~ 0 . 3 . For example, the PDF of pressure changes from negatively to positively skewed as Mt increases. Similar changes are observed for temperature and density. We suggest that large fluctuations of thermodynamic variables will be log-normal at high Mt. We also find that, relative to incompressible turbulence, the correlation between enstrophy and low-pressure regions is weakened at high Mt which can be explained by the dominance of the so-called dilatational pressure.

  12. Theoretical Study on the Negative Thermal Expansion Perovskite LaCu3Fe4O12: Pressure-Triggered Transition of Magnetism, Charge, and Spin State.

    PubMed

    Meng, Junling; Zhang, Lifang; Yao, Fen; Zhang, Xiong; Zhang, Wenwen; Liu, Xiaojuan; Meng, Jian; Zhang, Hongjie

    2017-06-05

    The A-site ordered negative thermal expansion material LaCu3Fe4O12 (LaCFO) was comprehensively investigated by using first-principles calculations. A pressure-triggered crystal structural phase transition from space group Im3̅ (No. 204) to Pn3̅ (No. 201) and magnetic transformation from a G-type antiferromagnetic (G_AFM) ground state to ferrimagnetic (FerriM) coupling were observed in LaCFO via gradual compression of the equilibrium volume. Correspondingly, the Fe-Cu intersite charge transfer from Fe to Cu 3dxy orbital, expressed as 4Fe(3+) + 3Cu(3+) → 4Fe(3.75+) + 3Cu(2+), was simulated along with the magnetic phase transformation from the G_AFM configuration to the FerriM state. Intriguingly, the Fe charge disproportionation, formulated as 8Fe(3.75+) → 5Fe(3+) + 3Fe(5+), appeared and was attributed to the strong hybridization between Fe 3d and O 2p orbitals in the FerriM state when the volumes were substantially compressed up to less than or equal to 80%V. Meanwhile, the external hydrostatic pressure also leads to a spin flip from a high-spin Fe(3+) antiferromagnetically arranged LaCu(3+)3Fe(3+)4O12 Mott insulator at low pressure and goes through a FerriM LaCu(2+)3Fe(3.75+)4O12 half-metal to a low-spin FerriM coupled LaCu(2+)3Fe(3+)5/2Fe(5+)3/2O12 metal at high pressure. Therefore, the crossover from high spin to low spin is responsible for the charge disproportionation in LaCFO. Essentially, the charge transfer and spin flip originate from the discontinuous changes of metal-oxygen bond lengths and angles in the compressed atomic structure. Finally, the negative thermal expansion behavior and mechanism of LaCFO were theoretically examined and clearly revealed.

  13. The radiated noise from isotropic turbulence revisited

    NASA Technical Reports Server (NTRS)

    Lilley, Geoffrey M.

    1993-01-01

    The noise radiated from isotropic turbulence at low Mach numbers and high Reynolds numbers, as derived by Proudman (1952), was the first application of Lighthill's Theory of Aerodynamic Noise to a complete flow field. The theory presented by Proudman involves the assumption of the neglect of retarded time differences and so replaces the second-order retarded-time and space covariance of Lighthill's stress tensor, Tij, and in particular its second time derivative, by the equivalent simultaneous covariance. This assumption is a valid approximation in the derivation of the second partial derivative of Tij/derivative of t exp 2 covariance at low Mach numbers, but is not justified when that covariance is reduced to the sum of products of the time derivatives of equivalent second-order velocity covariances as required when Gaussian statistics are assumed. The present paper removes these assumptions and finds that although the changes in the analysis are substantial, the change in the numerical result for the total acoustic power is small. The present paper also considers an alternative analysis which does not neglect retarded times. It makes use of the Lighthill relationship, whereby the fourth-order Tij retarded-time covariance is evaluated from the square of similar second order covariance, which is assumed known. In this derivation, no statistical assumptions are involved. This result, using distributions for the second-order space-time velocity squared covariance based on the Direct Numerical Simulation (DNS) results of both Sarkar and Hussaini(1993) and Dubois(1993), is compared with the re-evaluation of Proudman's original model. These results are then compared with the sound power derived from a phenomenological model based on simple approximations to the retarded-time/space covariance of Txx. Finally, the recent numerical solutions of Sarkar and Hussaini(1993) for the acoustic power are compared with the results obtained from the analytic solutions.

  14. Investigating source processes of isotropic events

    NASA Astrophysics Data System (ADS)

    Chiang, Andrea

    explosion. In contrast, recovering the announced explosive yield using seismic moment estimates from moment tensor inversion remains challenging but we can begin to put error bounds on our moment estimates using the NSS technique. The estimation of seismic source parameters is dependent upon having a well-calibrated velocity model to compute the Green's functions for the inverse problem. Ideally, seismic velocity models are calibrated through broadband waveform modeling, however in regions of low seismicity velocity models derived from body or surface wave tomography may be employed. Whether a velocity model is 1D or 3D, or based on broadband seismic waveform modeling or the various tomographic techniques, the uncertainty in the velocity model can be the greatest source of error in moment tensor inversion. These errors have not been fully investigated for the nuclear discrimination problem. To study the effects of unmodeled structures on the moment tensor inversion, we set up a synthetic experiment where we produce synthetic seismograms for a 3D model (Moschetti et al., 2010) and invert these data using Green's functions computed with a 1D velocity mode (Song et al., 1996) to evaluate the recoverability of input solutions, paying particular attention to biases in the isotropic component. The synthetic experiment results indicate that the 1D model assumption is valid for moment tensor inversions at periods as short as 10 seconds for the 1D western U.S. model (Song et al., 1996). The correct earthquake mechanisms and source depth are recovered with statistically insignificant isotropic components as determined by the F-test. Shallow explosions are biased by the theoretical ISO-CLVD tradeoff but the tectonic release component remains low, and the tradeoff can be eliminated with constraints from P wave first motion. Path-calibration to the 1D model can reduce non-double-couple components in earthquakes, non-isotropic components in explosions and composite sources and improve

  15. Carrier Localization Effects in InGaN/GaN Multiple-Quantum-Wells LED Nanowires: Luminescence Quantum Efficiency Improvement and "Negative" Thermal Activation Energy.

    PubMed

    Bao, Wei; Su, Zhicheng; Zheng, Changcheng; Ning, Jiqiang; Xu, Shijie

    2016-09-30

    Two-dimensional InGaN/GaN multiple-quantum-wells (MQW) LED structure was nanotextured into quasi-one-dimensional nanowires (NWs) with different average diameters with a combination approach of Ni nanoislands as mask + dry etching. Such nanotexturing bring out several appealing effects including deeper localization of carriers and significant improvement in quantum efficiency (e.g., from 4.76% of the planar MQW structure to 12.5% of the 160 nm MQW NWs) of light emission in the whole interested temperature range from 4 K to 300 K. With the aid of localized-state ensemble (LSE) luminescence model, the photoluminescence spectra of the samples are quantitatively interpreted in the entire temperature range. In terms of distinctive temperature dependence of photoluminescence from these samples, a concept of "negative" thermal activation energy is tentatively proposed for the MQW NWs samples. These findings could lead to a deeper insight into the physical nature of localization and luminescence mechanism of excitons in InGaN/GaN nanowires.

  16. Neutron diffraction study and anomalous negative thermal expansion in non-superconducting PrFe1-xRuxAsO

    SciTech Connect

    Yiu, Yuen; Garlea, Vasile O; McGuire, Michael A; Huq, Ashfia; Mandrus, David; Nagler, Stephen E

    2012-01-01

    Neutron powder diraction has been used to investigate the structural and magnetic behavior of the isoelectronically doped Fe pnictide material PrFe1-xRuxAsO. Substitution of Ru for Fe sup- presses the structural and magnetic phase transitions that occur in the undoped compound PrFeAsO. Contrary to the behavior usually observed in 1111 pnictide materials, the suppression of both the structural and magnetic transitions does not result in the emergence of superconductivity or any other new ground state. Interestingly, PrFeAsO itself shows an unusual negative thermal expansion (NTE) along the c-axis, from 60K down to at least 4K; this does not occur in superconducting samples such as those formed by doping with fluorine on the oxygen site. We nd that NTE is present for all concentrations of PrFe1-xRuxAsO with x ranging from 0.05 to 0.75. These results suggest that the absence of superconductivity in these materials could be related to the presence of NTE.

  17. Colossal negative thermal expansion induced by magnetic phase competition on frustrated lattices in Laves phase compound (Hf,Ta)Fe2

    NASA Astrophysics Data System (ADS)

    Li, B.; Luo, X. H.; Wang, H.; Ren, W. J.; Yano, S.; Wang, C.-W.; Gardner, J. S.; Liss, K.-D.; Miao, P.; Lee, S.-H.; Kamiyama, T.; Wu, R. Q.; Kawakita, Y.; Zhang, Z. D.

    2016-06-01

    Competition between ferromagnetic and antiferromagnetic phases on frustrated lattices in hexagonal Laves phase compound Hf0.86Ta0.14Fe2 is investigated by using neutron diffraction as a function of temperature and magnetic fields and density-functional-theory calculations. At 325 K, the compound orders into the 120° frustrated antiferromagnetic state with a well-reduced magnetic moment, and an in-plane lattice contraction simultaneously sets in. With further cooling down, however, the accumulated distortion in turn destabilizes this susceptible frustrated structure. The frustration is completely relieved at 255 K when the first-order transition to the ferromagnetic state takes place, where a colossal negative volumetric thermal expansion, -123 ×10-6 /K, is obtained. Meanwhile, the antiferromagnetic state can be suppressed by few-tesla magnetic fields, which results in a colossal positive magnetostriction. Such delicate competition is attributed to the giant magnetic fluctuation inherent in the frustrated antiferromagnetic state. Therefore, the magnetoelastic instability is approached even under a small perturbation.

  18. Spin reorientation, magnetization reversal, and negative thermal expansion observed in R F e0.5C r0.5O3 perovskites (R =Lu ,Yb ,Tm )

    NASA Astrophysics Data System (ADS)

    Pomiro, Fernando; Sánchez, Rodolfo D.; Cuello, Gabriel; Maignan, Antoine; Martin, Christine; Carbonio, Raúl E.

    2016-10-01

    Three members of the perovskite family R F e0.5C r0.5O3 (R =Lu ,Yb , and Tm) have been synthesized and characterized. A systematic study of the crystal and magnetic structures was performed by neutron powder diffraction combined with magnetization measurements. All these compounds crystallize in a Pbnm orthorhombic unit cell and they are already antiferromagnetic at room temperature. The study of the magnetic structure vs temperature showed the occurrence of a progressive spin reorientation from Γ4TM to Γ2TM for the transition metal sublattice, and in the Tm-based sample, a long-range magnetic order of the T m3 + sublattice was found (Γ8R) . These results are in excellent agreement with the magnetic susceptibility measurements. No spin reorientation is observed in the Lu-based sample for which a magnetization reversal at a compensation temperature Tcomp= 225 K was detected. A clear magnetostrictive effect was observed in the samples with R =Yb and Tm associated with a negative thermal expansion and was assigned to a magnetoelastic effect produced by repulsion between the magnetic moments of neighboring transition metal ions.

  19. Avoiding the invasion of H2O into Y2Mo3O12 by coating with C3N4 to improve negative thermal expansion properties.

    PubMed

    Liu, Xiansheng; Yuan, Baohe; Cheng, Yongguang; Ge, Xianghong; Liang, Erjun; Zhang, Weifeng

    2017-05-31

    The hygroscopicity of Y2Mo3O12 has serious influences on its mechanic and negative thermal expansion (NTE) properties. The reported partial ion substitution for Y(3+) in Y2Mo3O12 could reduce the hygroscopicity, however, the expected NTE properties disappear disappointedly. In this investigation, it is found that avoiding the invasion of crystal water and extending the NTE temperature range of Y2Mo3O12 to room temperature could be realized together by heating with CO(NH2)2. The X-ray diffraction patterns, infrared absorption spectra, scanning electron microscopy images and X-ray photoelectron spectra suggest the formation of small hydrophobic molecules (C3N4, C, etc.) coated on the surface, which could clog the microchannels in Y2Mo3O12 to avoid the invasion of crystal water. The investigation paves a way to improve the NTE properties by neglecting the influences of water molecules on the stretching vibrations of MoO4 tetrahedra and the transverse vibrations of bridge oxygen atoms.

  20. Synthesis of Defect Perovskites (He2-x□x)(CaZr)F6 by Inserting Helium into the Negative Thermal Expansion Material CaZrF6.

    PubMed

    Hester, Brett R; Dos Santos, António M; Molaison, Jamie J; Hancock, Justin C; Wilkinson, Angus P

    2017-09-27

    Defect perovskites (He2-x□x)(CaZr)F6 can be prepared by inserting helium into CaZrF6 at high pressure. They can be recovered to ambient pressure at low temperature. There are no prior examples of perovskites with noble gases on the A-sites. The insertion of helium gas into CaZrF6 both elastically stiffens the material and reduces the magnitude of its negative thermal expansion. It also suppresses the onset of structural disorder, which is seen on compression in other media. Measurements of the gas released on warming to room temperature and Rietveld analyses of neutron diffraction data at low temperature indicate that exposure to helium gas at 500 MPa leads to a stoichiometry close to (He1□1)(CaZr)F6. Helium has a much higher solubility in CaZrF6 than silica glass or crystobalite. An analogue with composition (H2)2(CaZr)F6 would have a volumetric hydrogen storage capacity greater than current US DOE targets. We anticipate that other hybrid perovskites with small neutral molecules on the A-site can also be prepared and that they will display a rich structural chemistry.

  1. Liquid crystal alignment at macroscopically isotropic polymer surfaces: Effect of an isotropic-nematic phase transition

    NASA Astrophysics Data System (ADS)

    Aryasova, Natalie; Reznikov, Yuri

    2016-09-01

    We study the effect of an isotropic-nematic (I -N ) phase transition on the liquid crystal alignment at untreated polymer surfaces. We demonstrate that the pattern at the untreated substrate in the planar cell where the other substrate is uniformly rubbed strongly depends on the temperature gradient across the cell during the I -N phase transition, being macroscopically isotropic if the untreated substrate is cooled faster, but becoming almost homogeneous along the rubbing direction in the opposite temperature gradient. We interpret the observed effect using complementary models of heat transfer and nematic elasticity. Based on the heat transfer model we show that the asymmetric temperature conditions in our experiments provide unidirectional propagation of the I -N interface during the phase transition and determine the initial director orientation pattern at the test's untreated surface. Using the Frank-Oseen model of nematic elasticity, we represent the three-dimensional director field in the nematic cell as a two-dimensional (2D) pattern at the untreated surface and perform 2D numeric simulations. The simulations explain the experimental results: Different initial director orientations at the untreated surface evolve into different stationary patterns.

  2. Negative thermal expansion correlated with polyhedral movements and distortions in orthorhombic Y{sub 2}Mo{sub 3}O{sub 12}

    SciTech Connect

    Wang, Lei; Wang, Fei; Yuan, Peng-Fei; Sun, Qiang; Liang, Er-Jun; Jia, Yu; Guo, Zheng-Xiao

    2013-07-15

    Graphical abstract: Our work confirms the negative thermal expansion (NTE) behavior of the orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} in this range 0–1000 K. The orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} has an open framework structure where MoO{sub 4} tetrahedra and YO{sub 6} octahedra are connected by oxygen atoms. The previous mechanisms for the NTE behavior of orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} are that the translational mode (see (b)) of the O bridge atoms in Y-O-Mo linkages will cause the linkages to be bent, reducing the space between polyhedra and making the volumetric shrinkage. Furthermore, the internal polyhedral distortions have been reported experimentally. It is necessary to reveal the relationship between NTE and polyhedral movements, distortions. From the vibrational properties, we get that the different vibrational eigenvectors of oxygen atoms relative to Y or Mo atoms can lead internal polyhedra to distort unevenly (see (c)). Herein, an extended 3D model of the connected unit YO{sub 6}-MoO{sub 4} based on the Y-O-Mo linkage is proposed (see (a)). It presents a simultaneous dynamic process, i.e. the YO{sub 6} octahedra and MoO{sub 4} tetrahedra distort unevenly, along with both polyhedra being closer which makes the volumetric contraction. This model is helpful to improve the mechanisms of NTE and may be applied in the whole A{sub 2}M{sub 3}O{sub 12} family. - Highlights: • The NTE properties of Y{sub 2}Mo{sub 3}O{sub 12} are confirmed using a first-principles calculation. • The optical branch with the lowest frequency is most responsible for the NTE. • The relationship between NTE and polyhedral movements, distortions is elucidated. • An extended 3D model of the connected unit YO{sub 6}-MoO{sub 4} is proposed. - Abstract: The internal polyhedral distortions have been reported experimentally in orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} as a negative thermal expansion (NTE) material. To reveal the relationship between NTE and polyhedral

  3. Optical negative refraction in ferrofluids with magnetocontrollability.

    PubMed

    Gao, Y; Huang, J P; Liu, Y M; Gao, L; Yu, K W; Zhang, X

    2010-01-22

    We numerically demonstrate optical negative refraction in ferrofluids containing isotropic Fe3O4 nanoparticles, each having an isotropic Ag shell, in the presence of an external dc magnetic field H. The all-angle broadband optical negative refraction with magnetocontrollability arises from H-induced chains or columns. They result in hyperbolic equifrequency contour for transverse magnetic waves propagating in the system. The finite element simulations verify the analyses using the effective medium approximation. Experimental demonstration and potential applications are suggested and discussed.

  4. Effect of Alignment on the Nematic to Isotropic Phase Transitions of 8CB

    NASA Astrophysics Data System (ADS)

    Sharma, Dipti

    2010-03-01

    This study reports the effect of alignment on the nematic to isotropic phase transition of bulk octylcyanobiphenyl liquid crystal. This effect reveals a reduced time and temperature lag with possible solutions to the time response and backlight bleed drawbacks of liquid crystal displays (LCDs). The aligned octylcyanobiphenyl shows a quicker and early occurrence of the nematic transition with less deviation from thermal rates than the unaligned octylcyanobiphenyl using calorimetry technique. Smaller enthalpy of activation indicates less energy requirement and makes the aligned octylcyanobiphenyl suitable for LCDs. The results are discussed in terms of the formation of aligned domains of octylcyanobiphenyl molecules under the force of magnetic field.

  5. Relativistic drag and emission radiation pressures in an isotropic photonic gas

    NASA Astrophysics Data System (ADS)

    Lee, Jeffrey S.; Cleaver, Gerald B.

    2016-06-01

    By invoking the relativistic spectral radiance, as derived by Lee and Cleaver,1 the drag radiation pressure of a relativistic planar surface moving through an isotropic radiation field, with which it is in thermal equilibrium, is determined in inertial and non-inertial frames. The forward- and backward-directed emission radiation pressures are also derived and compared. A fleeting (inertial frames) or ongoing (some non-inertial frames) Carnot cycle is shown to exist as a result of an intra-surfaces temperature gradient. The drag radiation pressure on an object with an arbitrary frontal geometry is also described.

  6. Stress reduction in an isotropic plate with a hole by applied induced strains

    NASA Technical Reports Server (NTRS)

    Sensharma, Pradeep K.; Palantera, Markku J.; Haftka, Raphael T.

    1992-01-01

    Recently there has been much interest in adaptive structures that can respond to a varying environment by changing their properties. Shape memory alloys and piezoelectric materials can be used as induced strain actuators to reduce stresses in the regions of stress concentration. The objective of the work was to find the maximum possible reduction in the stress concentration factor in an isotropic plate with a hole by applying induced strains in a small area near the hole. Induced strains were simulated by thermal expansion.

  7. Stress reduction in an isotropic plate with a hole by applied induced strains

    NASA Technical Reports Server (NTRS)

    Sensharma, Pradeep K.; Palantera, Markku J.; Haftka, Raphael T.

    1992-01-01

    Recently there has been much interest in adaptive structures that can respond to a varying environment by changing their properties. Shape memory alloys and piezoelectric materials can be used as induced strain actuators to reduce stresses in the regions of stress concentration. The objective of the work was to find the maximum possible reduction in the stress concentration factor in an isotropic plate with a hole by applying induced strains in a small area near the hole. Induced strains were simulated by thermal expansion.

  8. Delamination Monitoring of Quasi-Isotropic CFRP Laminate Using Electric Potential Change Method

    NASA Astrophysics Data System (ADS)

    Ueda, Masahito; Todoroki, Akira

    Real-time detection of delamination in carbon fiber reinforce plastic (CFRP) laminates has been requiring to maintain the structural reliability of aircraft. In this paper, electric potential change method (EPCM) was applied to monitor delaminations in quasi-isotropic CFRP laminate. As the coefficient of thermal expansion and mold shrinkage factor of carbon fiber and epoxy matrix is different, residual stress is developed in the laminate during the fabrication process of curing. The local strain variation due to delaminations was measured by EPCM utilizing the piezoresistivity of the laminate itself. Finite element simulation was performed to investigate the applicability of the method.

  9. Cosmological simulations of isotropic conduction in galaxy clusters

    SciTech Connect

    Smith, Britton; O'Shea, Brian W.; Voit, G. Mark; Ventimiglia, David; Skillman, Samuel W.

    2013-12-01

    Simulations of galaxy clusters have a difficult time reproducing the radial gas-property gradients and red central galaxies observed to exist in the cores of galaxy clusters. Thermal conduction has been suggested as a mechanism that can help bring simulations of cluster cores into better alignment with observations by stabilizing the feedback processes that regulate gas cooling, but this idea has not yet been well tested with cosmological numerical simulations. Here we present cosmological simulations of 10 galaxy clusters performed with five different levels of isotropic Spitzer conduction, which alters both the cores and outskirts of clusters, though not dramatically. In the cores, conduction flattens central temperature gradients, making them nearly isothermal and slightly lowering the central density, but failing to prevent a cooling catastrophe there. Conduction has little effect on temperature gradients outside of cluster cores because outward conductive heat flow tends to inflate the outer parts of the intracluster medium (ICM), instead of raising its temperature. In general, conduction tends reduce temperature inhomogeneity in the ICM, but our simulations indicate that those homogenizing effects would be extremely difficult to observe in ∼5 keV clusters. Outside the virial radius, our conduction implementation lowers the gas densities and temperatures because it reduces the Mach numbers of accretion shocks. We conclude that, despite the numerous small ways in which conduction alters the structure of galaxy clusters, none of these effects are significant enough to make the efficiency of conduction easily measurable, unless its effects are more pronounced in clusters hotter than those we have simulated.

  10. Negative thermal expansion and magnetostriction in the frustrated spinel ZnCr2(Se1-x S x )4 (0  ≤  x  ≤  0.1).

    PubMed

    Gu, Chuanchuan; Yang, Zhaorong; Chen, Xuliang; Pi, L I; Zhang, Yuheng

    2016-05-11

    The bond-frustrated ZnCr2Se4 displays strong spin-lattice coupling characterized by large magnetostriction and negative thermal expansion. Here, we report on systematic investigations on the magnetization, heat capacity, thermal expansion and magnetostriction of single crystalline ZnCr2(Se1-x S x )4 (0  ⩽  x  ⩽  0.1) to study the evolution of its spin-lattice coupling with sulfur substitution. We show that with increasing sulfur content, the antiferromagnetic ordering is gradually replaced by a spin-glass state, the temperature region of the negative thermal expansion expands, and the magnetostriction is gradually suppressed. These phenomena are explained qualitatively by taking into account the enhancement of the antiferromagnetic interactions and bond disorder introduced by sulfur substitution.

  11. Characterizing error propagation in quantum circuits: the Isotropic Index

    NASA Astrophysics Data System (ADS)

    Fonseca de Oliveira, André L.; Buksman, Efrain; Cohn, Ilan; García López de Lacalle, Jesús

    2017-02-01

    This paper presents a novel index in order to characterize error propagation in quantum circuits by separating the resultant mixed error state in two components: an isotropic component that quantifies the lack of information, and a disalignment component that represents the shift between the current state and the original pure quantum state. The Isotropic Triangle, a graphical representation that fits naturally with the proposed index, is also introduced. Finally, some examples with the analysis of well-known quantum algorithms degradation are given.

  12. Large negative thermal expansion of the Co subnetwork measured by EXAFS in highly disordered Nd₁-xCox thin films with perpendicular magnetic anisotropy.

    PubMed

    Díaz, J; Cid, R; Hierro, A; M Álvarez-Prado, L; Quirós, C; Alameda, J M

    2013-10-23

    We have measured a negative thermal expansion (NTE) of the Co subnetwork in amorphous Nd1-xCox (0.78 < x < 0.84) thin films of the order of 1% in volume using linearly polarized EXAFS spectroscopy at RT and 10 K. The expansion, which is anisotropic, is uncorrelated with the perpendicular magnetic anisotropy (PMA) observed in all the films, but correlated with the method used to deposit them. The atomic environments of the Nd atoms resulted in such a strong disorder that Nd-Nd and Nd-Co environments were invisible to EXAFS, and only Co-Co atomic environments were detected. The information on the Nd subnetwork was obtained through its magnetic moment measured by XMCD. These measurements demonstrate an increasing interaction of neodymium atoms with their particular local crystal field as the temperature decreased, suggesting possible structural modifications at their sites. Since the magnetic moment of the cobalt subnetwork remains essentially constant with the temperature, it is proposed that its detected NTE may be caused by the mechanical response of the amorphous network to structural transformations at the Nd sites. These results support that the PMA in RE-TM alloys is localized at the RE sites. The complete absence of EXAFS oscillations in the Nd L3 EXAFS spectra is remarkable: it means that the coherence length of the photoemitted electrons in disordered matter can be strongly reduced from that expected by atomic calculations to the point of being less than first neighbor distances, which is contrary to the common belief that first neighbors are always visible by EXAFS.

  13. Correlation of trap states with negative bias thermal illumination stress stabilities in amorphous In-Ga-Zn-O thin-film transistors studied by photoinduced transient spectroscopy

    NASA Astrophysics Data System (ADS)

    Hayashi, Kazushi; Ochi, Mototaka; Hino, Aya; Tao, Hiroaki; Goto, Hiroshi; Kugimiya, Toshihiro

    2017-03-01

    Negative bias thermal illumination stress (NBTIS) stabilities in amorphous In-Ga-Zn-O (a-IGZO) thin-film transistors (TFTs) were studied by photoinduced transient spectroscopy (PITS). The degradation of TFT performance correlated with trap states in the channel region of a-IGZO TFTs with an etch stop layer (ESL). A prominent peak at approximately 100 K was observed in a-IGZO formed under a partial pressure (p/p) of 4% O2. With increasing O2 p/p, an apparent shoulder of around 230 K appeared in PITS spectra. A higher flow rate of SiH4/N2O for the ESL deposition induced trap states associated with the 230 K peak. The peak at approximately 100 K could originate from the depletion of Zn by preannealing, while the peak at approximately 230 K should be attributed to the oxygen-deficient and/or Zn-rich defects due to the formation of OH in a-IGZO. The trap states in a-IGZO TFTs gave rise to degradation in terms of NBTIS. The threshold voltage shift (ΔV th) was 2.5 V, but it increased with the O2 p/p as well as the flow rate of SiH4/N2O for ESL deposition. The time dependence of ΔV th suggested that hydrogen from the ESL and/or in the a-IGZO thin films was incorporated and modified the trap states in the channel region of the a-IGZO TFTs.

  14. A modified damped Richardson-Lucy algorithm to reduce isotropic background effects in spherical deconvolution.

    PubMed

    Dell'acqua, Flavio; Scifo, Paola; Rizzo, Giovanna; Catani, Marco; Simmons, Andrew; Scotti, Giuseppe; Fazio, Ferruccio

    2010-01-15

    Spherical deconvolution methods have been applied to diffusion MRI to improve diffusion tensor tractography results in brain regions with multiple fibre crossing. Recent developments, such as the introduction of non-negative constraints on the solution, allow a more accurate estimation of fibre orientations by reducing instability effects due to noise robustness. Standard convolution methods do not, however, adequately model the effects of partial volume from isotropic tissue, such as gray matter, or cerebrospinal fluid, which may degrade spherical deconvolution results. Here we use a newly developed spherical deconvolution algorithm based on an adaptive regularization (damped version of the Richardson-Lucy algorithm) to reduce isotropic partial volume effects. Results from both simulated and in vivo datasets show that, compared to a standard non-negative constrained algorithm, the damped Richardson-Lucy algorithm reduces spurious fibre orientations and preserves angular resolution of the main fibre orientations. These findings suggest that, in some brain regions, non-negative constraints alone may not be sufficient to reduce spurious fibre orientations. Considering both the speed of processing and the scan time required, this new method has the potential for better characterizing white matter anatomy and the integrity of pathological tissue.

  15. Hydrophobic matrix-free graphene-oxide composites with isotropic and nematic states

    NASA Astrophysics Data System (ADS)

    Wåhlander, Martin; Nilsson, Fritjof; Carlmark, Anna; Gedde, Ulf W.; Edmondson, Steve; Malmström, Eva

    2016-08-01

    We demonstrate a novel route to synthesise hydrophobic matrix-free composites of polymer-grafted graphene oxide (GO) showing isotropic or nematic alignment and shape-memory effects. For the first time, a cationic macroinitiator (MI) has been immobilised on anionic GO and subsequently grafted with hydrophobic polymer grafts. Dense grafts of PBA, PBMA and PMMA with a wide range of average graft lengths (MW: 1-440 kDa) were polymerised by surface-initiated controlled radical precipitation polymerisation from the statistical MI. The surface modification is designed similarly to bimodal graft systems, where the cationic MI generates nanoparticle repulsion, similar to dense short grafts, while the long grafts offer miscibility in non-polar environments and cohesion. The state-of-the-art dispersions of grafted GO were in the isotropic state. Transparent and translucent matrix-free GO-composites could be melt-processed directly using only grafted GO. After processing, birefringence due to nematic alignment of grafted GO was observed as a single giant Maltese cross, 3.4 cm across. Permeability models for composites containing aligned 2D-fillers were developed, which were compared with the experimental oxygen permeability data and found to be consistent with isotropic or nematic states. The storage modulus of the matrix-free GO-composites increased with GO content (50% increase at 0.67 wt%), while the significant increases in the thermal stability (up to 130 °C) and the glass transition temperature (up to 17 °C) were dependent on graft length. The tuneable matrix-free GO-composites with rapid thermo-responsive shape-memory effects are promising candidates for a vast range of applications, especially selective membranes and sensors.We demonstrate a novel route to synthesise hydrophobic matrix-free composites of polymer-grafted graphene oxide (GO) showing isotropic or nematic alignment and shape-memory effects. For the first time, a cationic macroinitiator (MI) has been

  16. The energy decay in self-preserving isotropic turbulence revisited

    NASA Technical Reports Server (NTRS)

    Speziale, Charles G.; Bernard, Peter S.

    1991-01-01

    The assumption of self-preservation allows for an analytical determination of the energy decay in isotropic turbulence. Here, the self-preserving isotropic decay problem is analyzed, yielding a more complete picture of self-serving isotropic turbulence. It is proven rigorously that complete self-serving isotropic turbulence admits two general types of asymptotic solutions: one where the turbulent kinetic energy K approximately t (exp -1) and one where K approximately t (sup alpha) with an exponent alpha greater than 1 that is determined explicitly by the initial conditions. By a fixed point analysis and numerical integration of the exact one-point equations, it is demonstrated that the K approximately t (exp -1) and where K approximately t (sup -alpha) with an exponent alpha greater than 1 that is determined explicitly by the initial conditions. By a fixed point analysis and numerical integration of the exact one point equations, it is demonstrated that the K approximately t (exp -1) power law decay is the asymptotically consistent high Reynolds number solution; the K approximately 1 (sup - alpha) decay law is only achieved in the limit as t yields infinity and the turbulence Reynolds number vanishes. Arguments are provided which indicate that a K approximately t (exp -1) power law decay is the asymptotic state towards which a complete self-preseving isotropic turbulence is driven at high Reynolds numbers in order to resolve the imbalance between vortex stretching and viscous diffusion.

  17. The energy decay in self-preserving isotropic turbulence revisited

    NASA Technical Reports Server (NTRS)

    Speziale, Charles G.; Bernard, Peter S.

    1992-01-01

    The assumption of self-preservation allows for an analytical determination of the energy decay in isotropic turbulence. Here, the self-preserving isotropic decay problem is analyzed, yielding a more complete picture of self-serving isotropic turbulence. It is proven rigorously that complete self-serving isotropic turbulence admits two general types of asymptotic solutions: one where the turbulent kinetic energy K approximately t (exp -1) and one where K approximately t (sup alpha) with an exponent alpha greater than 1 that is determined explicitly by the initial conditions. By a fixed point analysis and numerical integration of the exact one-point equations, it is demonstrated that the K approximately t (exp -1) and where K approximately t (sup -alpha) with an exponent alpha greater than 1 that is determined explicitly by the initial conditions. By a fixed point analysis and numerical integration of the exact one-point equations, it is demonstrated that the K approximately t (exp -1) power law decay is the asymptotically consistent high Reynolds number solution; the K approximately 1 (sup -alpha) decay law is only achieved in the limit as t yields infinity and the turbulence Reynolds number vanishes. Arguments are provided which indicate that a K approximately t (exp -1) power law decay is the asymptotic state toward which a complete self-preserving isotropic turbulence is driven at high Reynolds numbers in order to resolve the imbalance between vortex stretching and viscous diffusion.

  18. The energy decay in self-preserving isotropic turbulence revisited

    NASA Technical Reports Server (NTRS)

    Speziale, Charles G.; Bernard, Peter S.

    1992-01-01

    The assumption of self-preservation allows for an analytical determination of the energy decay in isotropic turbulence. Here, the self-preserving isotropic decay problem is analyzed, yielding a more complete picture of self-serving isotropic turbulence. It is proven rigorously that complete self-serving isotropic turbulence admits two general types of asymptotic solutions: one where the turbulent kinetic energy K approximately t (exp -1) and one where K approximately t (sup alpha) with an exponent alpha greater than 1 that is determined explicitly by the initial conditions. By a fixed point analysis and numerical integration of the exact one-point equations, it is demonstrated that the K approximately t (exp -1) and where K approximately t (sup -alpha) with an exponent alpha greater than 1 that is determined explicitly by the initial conditions. By a fixed point analysis and numerical integration of the exact one-point equations, it is demonstrated that the K approximately t (exp -1) power law decay is the asymptotically consistent high Reynolds number solution; the K approximately 1 (sup -alpha) decay law is only achieved in the limit as t yields infinity and the turbulence Reynolds number vanishes. Arguments are provided which indicate that a K approximately t (exp -1) power law decay is the asymptotic state toward which a complete self-preserving isotropic turbulence is driven at high Reynolds numbers in order to resolve the imbalance between vortex stretching and viscous diffusion.

  19. Generalized thermoelastic wave propagation in circumferential direction of transversely isotropic cylindrical curved plates

    NASA Astrophysics Data System (ADS)

    Sharma, J. N.; Pathania, Vijayata

    2005-03-01

    The propagation of thermoelastic waves along circumferential direction in homogeneous, transversely isotropic, cylindrical curved plates has been investigated in the context of theories of thermoelasticity. This type of study is important for ultrasonic non-destructive inspection of large-diameter pipes, which helps in the health monitoring of ailing infrastructure. Longitudinal stress-corrosion cracks are usually temperature dependent and can be detected more efficiently by inducing circumferential waves; hence the study of generalized thermoelastic wave propagation in the circumferential direction in a pipe wall is essential. Mathematical modeling of the problem of obtaining dispersion curves for curved transversely isotropic thermally conducting elastic plates leads to coupled differential equations. The model has been simplified by using the Helmholtz decomposition technique and the resulting equations have been solved by using separation of variable method to obtain the secular equations in isolated mathematical conditions for the plates with stress-free or rigidly fixed, thermally insulated and isothermal boundary surfaces. The closed form solutions are also obtained under different situations and conditions. The longitudinal shear motion and axially symmetric shear vibration modes get decoupled from the rest of the motion and are not affected by thermal variations, whereas for the non-axially symmetric case of plane strain vibrations, these modes remain coupled and are affected by temperature changes. Moreover, these vibration modes are found to be dispersive and dissipative in character. In order to illustrate theoretical development, numerical solutions are obtained and presented graphically for a zinc plate. The obtained results are also compared with those available in the literature in case of waves in cylindrical shell/circular annulus in the absence of thermomechanical coupling and thermal relaxation times.

  20. Isotropic and anisotropic bouncing cosmologies in Palatini gravity

    SciTech Connect

    Barragan, Carlos; Olmo, Gonzalo J.

    2010-10-15

    We study isotropic and anisotropic (Bianchi I) cosmologies in Palatini f(R) and f(R,R{sub {mu}{nu}R}{sup {mu}{nu}}) theories of gravity with a perfect fluid and consider the existence of nonsingular bouncing solutions in the early universe. We find that all f(R) models with isotropic bouncing solutions develop shear singularities in the anisotropic case. On the contrary, the simple quadratic model R+aR{sup 2}/R{sub P}+R{sub {mu}{nu}R}{sup {mu}{nu}/}R{sub P} exhibits regular bouncing solutions in both isotropic and anisotropic cases for a wide range of equations of state, including dust (for a<0) and radiation (for arbitrary a). It thus represents a purely gravitational solution to the big bang singularity and anisotropy problems of general relativity without the need for exotic (w>1) sources of matter/energy or extra degrees of freedom.

  1. Stress waves in transversely isotropic media: The homogeneous problem

    NASA Technical Reports Server (NTRS)

    Marques, E. R. C.; Williams, J. H., Jr.

    1986-01-01

    The homogeneous problem of stress wave propagation in unbounded transversely isotropic media is analyzed. By adopting plane wave solutions, the conditions for the existence of the solution are established in terms of phase velocities and directions of particle displacements. Dispersion relations and group velocities are derived from the phase velocity expressions. The deviation angles (e.g., angles between the normals to the adopted plane waves and the actual directions of their propagation) are numerically determined for a specific fiber-glass epoxy composite. A graphical method is introduced for the construction of the wave surfaces using magnitudes of phase velocities and deviation angles. The results for the case of isotropic media are shown to be contained in the solutions for the transversely isotropic media.

  2. Contact Isotropic Realisations of Jacobi Manifolds via Spencer Operators

    NASA Astrophysics Data System (ADS)

    Salazar, María Amelia; Sepe, Daniele

    2017-05-01

    Motivated by the importance of symplectic isotropic realisations in the study of Poisson manifolds, this paper investigates the local and global theory of contact isotropic realisations of Jacobi manifolds, which are those of minimal dimension. These arise naturally when considering multiplicity-free actions in contact geometry, as shown in this paper. The main results concern a classification of these realisations up to a suitable notion of isomorphism, as well as establishing a relation between the existence of symplectic and contact isotropic realisations for Poisson manifolds. The main tool is the classical Spencer operator which is related to Jacobi structures via their associated Lie algebroid, which allows to generalise previous results as well as providing more conceptual proofs for existing ones.

  3. Scaling of Lyapunov Exponents in Homogeneous, Isotropic DNS

    NASA Astrophysics Data System (ADS)

    Fitzsimmons, Nicholas; Malaya, Nicholas; Moser, Robert

    2013-11-01

    Lyapunov exponents measure the rate of separation of initially infinitesimally close trajectories in a chaotic system. Using the exponents, we are able to probe the chaotic nature of homogeneous isotropic turbulence and study the instabilities of the chaotic field. The exponents are measured by calculating the instantaneous growth rate of a linear disturbance, evolved with the linearized Navier-Stokes equation, at each time step. In this talk, we examine these exponents in the context of homogeneous isotropic turbulence with two goals: 1) to investigate the scaling of the exponents with respect to the parameters of forced homogeneous isotropic turbulence, and 2) to characterize the instabilities that lead to chaos in turbulence. Specifically, we explore the scaling of the Lyapunov exponents with respect to the Reynolds number and with respect to the ratio of the integral length scale and the computational domain size.

  4. Sudden relaminarisation and lifetimes in forced isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Linkmann, Moritz; Morozov, Alexander

    2015-11-01

    We demonstrate an unexpected connection between isotropic turbulence and wall-bounded shear flows. We perform direct numerical simulations of isotropic turbulence forced at large scales at moderate Reynolds numbers and observe sudden transitions from chaotic dynamics to a spatially simple flow, analogous to the laminar state in wall bounded shear flows. We find that the survival probabilities of turbulence are exponential and the typical lifetimes increase super-exponentially with the Reynolds number, similar to results on relaminarisation of localised turbulence in pipe and plane Couette flow. Results from simulations subjecting the observed large-scale flow to random perturbations of variable amplitude demonstrate that it is a linearly stable simple exact solution that can be destabilised by a finite-amplitude perturbation, like the Hagen-Poiseuille profile in pipe flow. Our results suggest that both isotropic turbulence and wall-bounded shear flows qualitatively share the same phase-space dynamics.

  5. Comparative analysis of isotropic diffusion weighted imaging sequences

    NASA Astrophysics Data System (ADS)

    Vellmer, Sebastian; Stirnberg, Rüdiger; Edelhoff, Daniel; Suter, Dieter; Stöcker, Tony; Maximov, Ivan I.

    2017-02-01

    Visualisation of living tissue structure and function is a challenging problem of modern imaging techniques. Diffusion MRI allows one to probe in vivo structures on a micrometer scale. However, conventional diffusion measurements are time-consuming procedures, because they require several measurements with different gradient directions. Considerable time savings are therefore possible by measurement schemes that generate an isotropic diffusion weighting in a single shot. Multiple approaches for generating isotropic diffusion weighting are known and have become very popular as useful tools in clinical research. Thus, there is a strong need for a comprehensive comparison of different isotropic weighting approaches. In the present work we introduce two new sequences based on simple (co)sine modulations and compare their performance to established q-space magic-angle spinning sequences and conventional DTI, using a diffusion phantom assembled from microcapillaries and in vivo experiments at 7 T. The advantages and disadvantages of all compared schemes are demonstrated and discussed.

  6. Visualization and computer graphics on isotropically emissive volumetric displays.

    PubMed

    Mora, Benjamin; Maciejewski, Ross; Chen, Min; Ebert, David S

    2009-01-01

    The availability of commodity volumetric displays provides ordinary users with a new means of visualizing 3D data. Many of these displays are in the class of isotropically emissive light devices, which are designed to directly illuminate voxels in a 3D frame buffer, producing X-ray-like visualizations. While this technology can offer intuitive insight into a 3D object, the visualizations are perceptually different from what a computer graphics or visualization system would render on a 2D screen. This paper formalizes rendering on isotropically emissive displays and introduces a novel technique that emulates traditional rendering effects on isotropically emissive volumetric displays, delivering results that are much closer to what is traditionally rendered on regular 2D screens. Such a technique can significantly broaden the capability and usage of isotropically emissive volumetric displays. Our method takes a 3D dataset or object as the input, creates an intermediate light field, and outputs a special 3D volume dataset called a lumi-volume. This lumi-volume encodes approximated rendering effects in a form suitable for display with accumulative integrals along unobtrusive rays. When a lumi-volume is fed directly into an isotropically emissive volumetric display, it creates a 3D visualization with surface shading effects that are familiar to the users. The key to this technique is an algorithm for creating a 3D lumi-volume from a 4D light field. In this paper, we discuss a number of technical issues, including transparency effects due to the dimension reduction and sampling rates for light fields and lumi-volumes. We show the effectiveness and usability of this technique with a selection of experimental results captured from an isotropically emissive volumetric display, and we demonstrate its potential capability and scalability with computer-simulated high-resolution results.

  7. A note on antenna models in a warm isotropic plasma

    NASA Technical Reports Server (NTRS)

    Singh, N.

    1980-01-01

    The electron-transparent and electron-reflecting models of antennas in a warm isotropic plasma are reexamined. It is shown that a purely electrical treatment of both the models without an explicit use of the boundary condition on electron velocity yields the same results as those previously obtained through an electromechanical treatment. The essential difference between the two models is that for the electron-reflecting model, fields are nonzero only in the exterior region, while for the electron-transparent model, they are nonzero both in the exterior and interior regions of the antenna. This distinction helps in clarifying some misconceptions about these models of antennas in warm isotropic plasma.

  8. On the preferential sampling of helicity by isotropic helicoids

    NASA Astrophysics Data System (ADS)

    Biferale, Luca; Gustavsson, Kristian; Scatamacchia, Riccardo

    2016-11-01

    We present a theoretical and numerical study on the motion of isotropic helicoids in complex flows. These are particles whose motion is invariant under rotations but not under mirror reflections of the particle. This is the simplest, yet unexplored, extension of the much studied case of small spherical particles. We show that heavy isotropic helicoids, due to the coupling between translational and rotational degrees of freedom, preferentially sample different helical regions in laminar or chaotic advecting flows. This opens the way to control and engineer particles able to track complex flow structures with potential applications to microfluidics and turbulence. ERC AdG Grant NewTURB no. 339032.

  9. A note on antenna models in a warm isotropic plasma

    NASA Technical Reports Server (NTRS)

    Singh, N.

    1980-01-01

    The electron-transparent and electron-reflecting models of antennas in a warm isotropic plasma are reexamined. It is shown that a purely electrical treatment of both the models without an explicit use of the boundary condition on electron velocity yields the same results as those previously obtained through an electromechanical treatment. The essential difference between the two models is that for the electron-reflecting model, fields are nonzero only in the exterior region, while for the electron-transparent model, they are nonzero both in the exterior and interior regions of the antenna. This distinction helps in clarifying some misconceptions about these models of antennas in warm isotropic plasma.

  10. Designing isotropic interactions for self-assembly of complex lattices.

    PubMed

    Edlund, E; Lindgren, O; Jacobi, M Nilsson

    2011-08-19

    We present a direct method for solving the inverse problem of designing isotropic potentials that cause self-assembly into target lattices. Each potential is constructed by matching its energy spectrum to the reciprocal representation of the lattice to guarantee that the desired structure is a ground state. We use the method to self-assemble complex lattices not previously achieved with isotropic potentials, such as a snub square tiling and the kagome lattice. The latter is especially interesting because it provides the crucial geometric frustration in several proposed spin liquids. © 2011 American Physical Society

  11. Unexpected collapses during isotropic consolidation of model granular materials

    NASA Astrophysics Data System (ADS)

    Doanh, Thiep; Le Bot, Alain; Abdelmoula, Nouha; Gribaa, Lassad; Hans, Stéphane; Boutin, Claude

    2016-02-01

    This paper reports the unexpected instantaneous instabilities of idealized granular materials under simple isotropic drained compression. Specimens of monosized glass beads submitted to isotropic compression exhibit a series of local collapses under undetermined external stress with partial liquefaction, experience sudden volumetric compaction and axial contraction of various amplitude. Short-lived excess pore water pressure vibrates like an oscillating underdamped system in the first dynamic transient phase and rapidly disperses in the subsequent longer dissipation phase. However, very dense samples maintain a collapse-free behaviour below a threshold void ratio e0col at 30 kPa of stress. The potential mechanisms that could explain these spontaneous collapses are discussed.

  12. Flow birefringence in lyotropic mixtures in the isotropic phase

    SciTech Connect

    Fernandes, P.R.G.; Figueiredo Neto, A.M. )

    1995-01-01

    The flow-induced birefringence ([delta][ital n]) in lyotropic mixtures in the isotropic phase (ISO) was measured by means of optical techniques. As a function of temperature, the ISO is surrounded by two lamellar (LAM) phases. The shear flow produced by a perturbation in ISO induces a birefringent phase, which relaxes back to ISO with a typical relaxation time [tau]. [tau] increases near the transition to the more ordered LAM phases, and the behavior of [tau] versus temperature indicates the existence of a virtual nematic phase in the isotropic domain.

  13. Nonequilibrium phase transitions in isotropic Ashkin-Teller model

    NASA Astrophysics Data System (ADS)

    Akıncı, Ümit

    2017-03-01

    Dynamic behavior of an isotropic Ashkin-Teller model in the presence of a periodically oscillating magnetic field has been analyzed by means of the mean field approximation. The dynamic equation of motion has been constructed with the help of a Glauber type stochastic process and solved for a square lattice. After defining the possible dynamical phases of the system, phase diagrams have been given and the behavior of the hysteresis loops has been investigated in detail. The hysteresis loop for specific order parameter of isotropic Ashkin-Teller model has been defined and characteristics of this loop in different dynamical phases have been given.

  14. Composition, response to pressure, and negative thermal expansion in MIIBIVF6 (M = Ca, Mg; B = Zr, Nb) [Composition, response to pressure, and negative thermal expansion in AIIBIVF6; A - Ca, Mg, B - Zr, Nb

    SciTech Connect

    Hester, Brett R.; Hancock, Justin C.; Lapidus, Saul H.; Wilkinson, Angus P.

    2016-12-27

    CaZrF6 has recently been shown to combine strong negative thermal expansion (NTE) over a very wide temperature range (at least 10–1000 K) with optical transparency from mid-IR into the UV range. Variable-temperature and high-pressure diffraction has been used to determine how the replacement of calcium by magnesium and zirconium by niobium(IV) modifies the phase behavior and physical properties of the compound. Similar to CaZrF6, CaNbF6 retains a cubic ReO3-type structure down to 10 K and displays NTE up until at least 900 K. It undergoes a reconstructive phase transition upon compression to ~400 MPa at room temperature and pressure-induced amorphization above ~4 GPa. Prior to the first transition, it displays very strong pressure-induced softening. MgZrF6 adopts a cubic (Fm$\\bar{3}$m) structure at 300 K and undergoes a symmetry-lowering phase transition involving octahedral tilts at ~100 K. Immediately above this transition, it shows modest NTE. Its’ thermal expansion increases upon heating, crossing through zero at ~500 K. Unlike CaZrF6 and CaNbF6, it undergoes an octahedral tilting transition upon compression (~370 MPa) prior to a reconstructive transition at ~1 GPa. Cubic MgZrF6 displays both pressure-induced softening and stiffening upon heating. MgNbF6 is cubic (Fm$\\bar{3}$m) at room temperature, but it undergoes a symmetry-lowering octahedral tilting transition at ~280 K. It does not display NTE within the investigated temperature range (100–950 K). Furthermore the replacement of Zr(IV) by Nb(IV) leads to minor changes in phase behavior and properties, the replacement of the calcium by the smaller and more polarizing magnesium leads to large changes in both phase behavior and thermal expansion.

  15. High pressure studies of A2Mo3O12 negative thermal expansion materials (A2=Al2, Fe2, FeAl, AlGa)

    NASA Astrophysics Data System (ADS)

    Young, Lindsay; Gadient, Jennifer; Gao, Xiaodong; Lind, Cora

    2016-05-01

    High pressure powder X-ray diffraction studies of several A2Mo3O12 materials (A2=Al2, Fe2, FeAl, and AlGa) were conducted up to 6-7 GPa. All materials adopted a monoclinic structure under ambient conditions, and displayed similar phase transition behavior upon compression. The initial isotropic compressibility first became anisotropic, followed by a small but distinct drop in cell volume. These patterns could be described by a distorted variant of the ambient pressure polymorph. At higher pressures, a distinct high pressure phase formed. Indexing results confirmed that all materials adopted the same high pressure phase. All changes were reversible on decompression, although some hysteresis was observed. The similarity of the high pressure cells to previously reported Ga2Mo3O12 suggested that this material undergoes the same sequence of transitions as all materials investigated in this paper. It was found that the transition pressures for all phase changes increased with decreasing radius of the A-site cations.

  16. Nonlinear Response of Bio-Polymers Subject to Stretching Flow with Thermal Noise

    NASA Astrophysics Data System (ADS)

    Deng, Mingge; Grinberg, Leopold; Caswell, Bruce; Karniadakis, George

    2013-11-01

    The dynamics of elastic filaments subject to hydrodynamic forces exhibits complex nonlinear dynamics in the neighborhood of stagnation points in the flow. Here, the motion of a single in-extensible bio-polymer with an-isotropic friction tensor subjected to a stretching flow is modeled with stochastic differential equations as well as dissipative particle dynamics simulations. Our results show that the negative tension induces a stretch-coil transition beyond a critical value, where the noise is amplificated due to the interaction between thermal noise and nonlinear effects.

  17. Isotropic Thaw Subsidence in Natural Landscapes of Northern Alaska

    NASA Astrophysics Data System (ADS)

    Shiklomanov, N. I.; Streletskiy, D. A.; Nelson, F. E.; Little, J.

    2013-12-01

    Arctic Coastal Plain and Arctic Foothills physiographic provinces of northern Alaska. Observations were conducted at the end of the thawing season with high-resolution differential GPS equipment, using a four-stage nested sampling design that provides full geographic representation of surface cover types and microtopographic elements within each sampling area. Both sampling areas experienced net subsidence of the ground surface over the period of observation. The record of temperature and vertical movement at the ground surface indicates that penetration of thaw into the transition layer has produced relatively uniform subsidence extending over entire landscapes. Without specialized observation techniques the subsidence is not apparent to observers at the surface. Integrated over extensive regions, this 'isotropic thaw subsidence' may be responsible for thawing large volumes of carbon-rich substrate, and could have negative impacts on infrastructure.

  18. Optical Negative Refraction in Ferrofluids with Magnetocontrollability

    DTIC Science & Technology

    2010-01-22

    Optical Negative Refraction in Ferrofluids with Magnetocontrollability Y. Gao,1,2 J. P. Huang,1,* Y.M. Liu,3 L. Gao,4 K.W. Yu,2 and X. Zhang3...China (Received 5 October 2009; published 20 January 2010) We numerically demonstrate optical negative refraction in ferrofluids containing isotropic...certain soft materials. As a result, we reveal, for the first time, a new class of all-angle broadband optical nega- tive refraction in ferrofluids with

  19. Switch isotropic/anisotropic wettability via dual-scale rods

    NASA Astrophysics Data System (ADS)

    He, Yang; Jiang, Chengyu; Wang, Shengkun; Ma, Zhibo; Yuan, Weizheng

    2014-10-01

    It is the first time to demonstrate the comparison of isotropic/anisotropic wettability between dual-scale micro-nano-rods and single-scale micro-rods. Inspired by the natural structures of rice leaf, a series of micro-nano-rods and micro-rods with different geometric parameters were fabricated using micro-fabrication technology. Experimental measured apparent contact angles and advancing and receding contact angles from orthogonal orientations were characterized. The difference of contact angles from orthogonal orientation on dual-scale rods was much smaller than those on single-scale rods in both static and dynamic situation. It indicated that the dual-scale micro-nano-rods showed isotropic wettability, while single-scale micro-rods showed anisotropic wettability. The switch of isotropic/anisotropic wettability could be illustrated by different wetting state and contact line moving. It offers a facial way to switch isotropic/anisotropic wettability of the surface via dual-scale or single-scale structure.

  20. A Simple Mechanical Model for the Isotropic Harmonic Oscillator

    ERIC Educational Resources Information Center

    Nita, Gelu M.

    2010-01-01

    A constrained elastic pendulum is proposed as a simple mechanical model for the isotropic harmonic oscillator. The conceptual and mathematical simplicity of this model recommends it as an effective pedagogical tool in teaching basic physics concepts at advanced high school and introductory undergraduate course levels. (Contains 2 figures.)

  1. Equation of State and Sound Velocities from Isotropic Continuum Mechanics.

    DTIC Science & Technology

    1986-10-01

    of state and the shear and longitudinal velocity to fifth order elastic constants. The resulting expressions are implicit in terms of the pressure...The methods of finite elasticity in continuum mechanics of homogeneous isotropic materials are used to obtain the pressure dependence of the equation

  2. A Simple Mechanical Model for the Isotropic Harmonic Oscillator

    ERIC Educational Resources Information Center

    Nita, Gelu M.

    2010-01-01

    A constrained elastic pendulum is proposed as a simple mechanical model for the isotropic harmonic oscillator. The conceptual and mathematical simplicity of this model recommends it as an effective pedagogical tool in teaching basic physics concepts at advanced high school and introductory undergraduate course levels. (Contains 2 figures.)

  3. Semiclassical States Associated with Isotropic Submanifolds of Phase Space

    NASA Astrophysics Data System (ADS)

    Guillemin, V.; Uribe, A.; Wang, Z.

    2016-12-01

    We define classes of quantum states associated with isotropic submanifolds of cotangent bundles. The classes are stable under the action of semiclassical pseudo-differential operators and covariant under the action of semiclassical Fourier integral operators. We develop a symbol calculus for them; the symbols are symplectic spinors. We outline various applications.

  4. Transformation to zero offset in transversely isotropic media

    SciTech Connect

    Alkhalifah, T.

    1995-02-01

    Nearly all dip moveout correction (DMO) implementations to date assume isotropic homogeneous media. Usually, this has been acceptable considering the tremendous cost savings of homogeneous isotropic DMO and considering the difficulty of obtaining the anisotropy parameters required for effective implementation. In the presence of typical anisotropy, however, ignoring the anisotropy can yield inadequate results. Since anisotropy may introduce large deviations from hyperbolic moveout, accurate transformation to zero-offset in anisotropic media should address such nonhyperbolic moveout behavior of reflections. Artley and Hale`s (1994) v(z) ray tracing-based DMO, developed for isotropic media, provides an attractive approach to treating such problems. By using a ray-tracing procedure crafted for anisotropic media, the author modifies some aspects of Artley and Hale`s DMO so that it can work for v(z) anisotropic media. Application of this anisotropic DMO to data from offshore Africa resulted in a considerably better alignment of reflections from horizontal and dipping reflectors in common-midpoint gather than that obtained using an isotropic DMO. Even the presence of vertical inhomogeneity in this medium could not eliminate the importance of considering the shale induced anisotropy.

  5. Size dependence of the surface tension of a free surface of an isotropic fluid

    NASA Astrophysics Data System (ADS)

    Burian, Sergii; Isaiev, Mykola; Termentzidis, Konstantinos; Sysoev, Vladimir; Bulavin, Leonid

    2017-06-01

    We report on the size dependence of the surface tension of a free surface of an isotropic fluid. The size dependence of the surface tension is evaluated based on the Gibbs-Tolman-Koenig-Buff equation for positive and negative values of curvatures and the Tolman lengths. For all combinations of positive and negative signs of curvature and the Tolman length, we succeed to have a continuous function, avoiding the existing discontinuity at zero curvature (flat interfaces). As an example, a water droplet in the thermodynamical equilibrium with the vapor is analyzed in detail. The size dependence of the surface tension and the Tolman length are evaluated with the use of experimental data of the International Association for the Properties of Water and Steam. The evaluated Tolman length of our approach is in good agreement with molecular dynamics and experimental data.

  6. New Family of Materials with Negative Coefficients of Thermal Expansion: The Effect of MgO, CoO, MnO, NiO, or CuO on the Phase Stability and Thermal Expansion of Solid Solution Phases Derived from BaZn2Si2O7.

    PubMed

    Thieme, Christian; Waurischk, Tina; Heitmann, Stephan; Rüssel, Christian

    2016-05-02

    Recently, a silicate with the composition SrxBa1-xZn2Si2O7 was reported, which exhibits a negative coefficient of thermal expansion. The compound BaZn2Si2O7 shows a highly positive coefficient of thermal expansion up to a temperature of 280 °C and then transfers to a high temperature phase, which exhibits a coefficient of thermal expansion near zero or negative over a limited temperature range up to around 500 °C. This high temperature modification can be stabilized to room temperature if Ba(2+) is replaced by Sr(2+). In the solid solution SrxBa1-xZn2Si2O7, also Zn(2+) can be replaced in a wide concentration range by other cations with the respective valency. In the present study, Zn was partially or completely replaced by Mg, Co, Mn, Ni, or Cu. If the high temperature phase is stable at room temperature, the thermal expansion is negative, and if the partial substitution exceeds a certain concentration threshold, the low temperature phase with the crystal structure of BaZn2Si2O7 and highly positive thermal expansion is formed. The lowest mean coefficients of thermal expansion were measured for the composition Ba0.5Sr0.5Zn1.4Co0.6Si2O7 with a value of -2.9 × 10(-6) K(-1). In general, a lower Zn-concentration leads to a higher anisotropy and a lower mean coefficient of thermal expansion.

  7. Cryogenic abnormal thermal expansion properties of carbon-doped La(Fe,Si)13 compounds.

    PubMed

    Li, Shaopeng; Huang, Rongjin; Zhao, Yuqiang; Wang, Wei; Li, Laifeng

    2015-12-14

    Recently, La(Fe,Si)13-based compounds have attracted much attention due to their isotropic and tunable abnormal thermal expansion (ATE) properties as well as bright prospects for practical applications. In this research, we have prepared cubic NaZn13-type carbon-doped La(Fe,Si)13 compounds by the arc-melting method, and their ATE and magnetic properties were investigated by means of variable-temperature X-ray diffraction, strain gauge and the physical property measurement system (PPMS). The experimental results indicate that both micro and macro negative thermal expansion (NTE) behaviors gradually weaken with the increase of interstitial carbon atoms. Moreover, the temperature region with the most remarkable NTE properties has been broadened and near zero thermal expansion (NZTE) behavior occurs in the bulk carbon-doped La(Fe,Si)13 compounds.

  8. Spontaneous radiation of a chiral molecule located near a half-space of a bi-isotropic material

    SciTech Connect

    Guzatov, D. V.; Klimov, V. V.; Poprukailo, N. S.

    2013-04-15

    Analytical expressions for the rate of spontaneous emission from a chiral (optically active) molecule located near a half-space occupied by a chiral (bi-isotropic) material have been obtained and analyzed in detail. It is established that the rates of spontaneous emission from the 'right' and 'left' enantiomers of molecules occurring near the chiral medium may significantly differ in cases of chiral materials with (i) both negative dielectric permittivity and magnetic permeability (DNG metamaterial) and (ii) negative permeability and positive permittivity (MNG metamaterial). Based on this phenomenon, DMG and MNG metamaterials can be used to create devices capable of separating right and left enantiomers in racemic mixtures.

  9. Thermomechanical formulation of ductile damage coupled to nonlinear isotropic hardening and multiplicative viscoplasticity

    NASA Astrophysics Data System (ADS)

    Soyarslan, C.; Bargmann, S.

    2016-06-01

    In this paper, we present a thermomechanical framework which makes use of the internal variable theory of thermodynamics for damage-coupled finite viscoplasticity with nonlinear isotropic hardening. Damage evolution, being an irreversible process, generates heat. In addition to its direct effect on material's strength and stiffness, it causes deterioration of the heat conduction. The formulation, following the footsteps of Simó and Miehe (1992), introduces inelastic entropy as an additional state variable. Given a temperature dependent damage dissipation potential, we show that the evolution of inelastic entropy assumes a split form relating to plastic and damage parts, respectively. The solution of the thermomechanical problem is based on the so-called isothermal split. This allows the use of the model in 2D and 3D example problems involving geometrical imperfection triggered necking in an axisymmetric bar and thermally triggered necking of a 3D rectangular bar.

  10. A multi-detector neutron spectrometer with nearly isotropic response for environmental and workplace monitoring

    NASA Astrophysics Data System (ADS)

    Gómez-Ros, J. M.; Bedogni, R.; Moraleda, M.; Delgado, A.; Romero, A.; Esposito, A.

    2010-01-01

    This communication describes an improved design for a neutron spectrometer consisting of 6Li thermoluminescent dosemeters located at selected positions within a single moderating polyethylene sphere. The spatial arrangement of the dosemeters has been designed using the MCNPX Monte Carlo code to calculate the response matrix for 56 log-equidistant energies from 10 -9 to 100 MeV, looking for a configuration that permits to obtain a nearly isotropic response for neutrons in the energy range from thermal to 20 MeV. The feasibility of the proposed spectrometer and the isotropy of its response have been evaluated by simulating exposures to different reference and workplace neutron fields. The FRUIT code has been used for unfolding purposes. The results of the simulations as well as the experimental tests confirm the suitability of the prototype for environmental and workplace monitoring applications.

  11. Excitation of convective motions in isotropic and anisotropic liquids by light

    SciTech Connect

    Akopyan, R S; Alaverdyan, R B; Muradyan, L Kh; Seferyan, G E; Chilingaryan, Yu S

    2003-01-31

    The possibility of excitation of convective motions of the Rayleigh - Benard and Marangoni type in isotropic liquids and nematic liquid crystals upon absorption of light with a spatially periodic intensity distribution is demonstrated theoretically and experimentally. It is shown that gravitational and thermocapillary surface hydrodynamic waves are observed in the case of a running interference pattern. The possibility of control and the stability of convective motions are investigated. Benard cells become unstable when the light intensity is high. These instabilities are of thermal origin because the Prandtl number for the medium under investigation is considerably larger than unity. The competition between the gravitational and thermocapillary mechanisms of photohydrodynamic reorientation of the nematic liquid crystal director is also studied. The effect of convective motions on the thermodynamic phase transition is observed and explained. (interaction of laser radiation with matter)

  12. Tunable negative thermal expansion related with the gradual evolution of antiferromagnetic ordering in antiperovskite manganese nitrides Ag{sub 1−x}NMn{sub 3+x} (0 ≤ x ≤ 0.6)

    SciTech Connect

    Lin, J. C.; Tong, P. Lin, S.; Wang, B. S.; Song, W. H.; Tong, W.; Zou, Y. M.; Sun, Y. P.

    2015-02-23

    The thermal expansion and magnetic properties of antiperovskite manganese nitrides Ag{sub 1−x}NMn{sub 3+x} were reported. The substitution of Mn for Ag effectively broadens the temperature range of negative thermal expansion and drives it to cryogenic temperatures. As x increases, the paramagnetic (PM) to antiferromagnetic (AFM) phase transition temperature decreases. At x ∼ 0.2, the PM-AFM transition overlaps with the AFM to glass-like state transition. Above x = 0.2, two new distinct magnetic transitions were observed: One occurs above room temperature from PM to ferromagnetic (FM), and the other one evolves at a lower temperature (T{sup *}) below which both AFM and FM orderings are involved. Further, electron spin resonance measurement suggests that the broadened volume change near T{sup *} is closely related with the evolution of Γ{sup 5g} AFM ordering.

  13. Enhanced negative thermal expansion in La(1-x)Pr(x)Fe10.7Co0.8Si1.5 compounds by doping the magnetic rare-earth element praseodymium.

    PubMed

    Li, Wen; Huang, Rongjin; Wang, Wei; Tan, Jie; Zhao, Yuqiang; Li, Shaopeng; Huang, Chuanjun; Shen, Jun; Li, Laifeng

    2014-06-02

    Experiments have been performed to enhance negative thermal expansion (NTE) in the La(Fe,Co,Si)13-based compounds by optimizing the chemical composition, i.e., proper substitution of La by magnetic element Pr. It is found that increasing the absolute value of the average coefficient of thermal expansion (CTE) in the NTE temperature region (200-300 K) attributes to enhancement of the spontaneous magnetization and its growth rate with increasing Pr content. Typically, the average CTE of La(1-x)Pr(x)Fe10.7Co0.8Si1.5 with x = 0.5 reaches as large as -38.5 × 10(-6) K(-1) between 200 and 300 K (ΔT = 100 K), which is 18.5% larger than that of x = 0. The present results highlight the potential applications of La(Fe,Co,Si)13-based compounds with a larger NTE coefficient.

  14. Tunable negative thermal expansion related with the gradual evolution of antiferromagnetic ordering in antiperovskite manganese nitrides Ag1-xNMn3+x (0 ≤ x ≤ 0.6)

    NASA Astrophysics Data System (ADS)

    Lin, J. C.; Tong, P.; Tong, W.; Lin, S.; Wang, B. S.; Song, W. H.; Zou, Y. M.; Sun, Y. P.

    2015-02-01

    The thermal expansion and magnetic properties of antiperovskite manganese nitrides Ag1-xNMn3+x were reported. The substitution of Mn for Ag effectively broadens the temperature range of negative thermal expansion and drives it to cryogenic temperatures. As x increases, the paramagnetic (PM) to antiferromagnetic (AFM) phase transition temperature decreases. At x ˜ 0.2, the PM-AFM transition overlaps with the AFM to glass-like state transition. Above x = 0.2, two new distinct magnetic transitions were observed: One occurs above room temperature from PM to ferromagnetic (FM), and the other one evolves at a lower temperature (T*) below which both AFM and FM orderings are involved. Further, electron spin resonance measurement suggests that the broadened volume change near T* is closely related with the evolution of Γ5g AFM ordering.

  15. Isotropic-nematic transition for hard rods on a three-dimensional cubic lattice

    NASA Astrophysics Data System (ADS)

    Gschwind, A.; Klopotek, M.; Ai, Y.; Oettel, M.

    2017-07-01

    Using grand-canonical Monte Carlo (GCMC) simulations, we investigate the isotropic-nematic phase transition for hard rods of size L ×1 ×1 on a three-dimensional cubic lattice. We observe such a transition for L ≥6 . For L =6 , the nematic state has a negative order parameter, reflecting the co-occurrence of two dominating orientations. For L ≥7 , the nematic state has a positive order parameter, corresponding to the dominance of one orientation. We investigate rod lengths up to L =25 and find evidence for a very weakly first-order isotropic-nematic transition, while we cannot completely rule out a second-order transition. It was not possible to detect a density jump at the transition, despite using large systems containing several 105 particles. The probability density distributions P (Q ) from the GCMC simulations near the transition are very broad, pointing to strong fluctuations. Our results complement earlier results on the demixing (pseudonematic) transition for an equivalent system in two dimensions, which is presumably of Ising type and occurs for L ≥7 . We compare our results to lattice fundamental measure theory (FMT) and find that FMT strongly overestimates nematic order and consequently predicts a strong first-order transition. The rod packing fraction of the nematic coexisting states, however, agree reasonably well between FMT and GCMC.

  16. General formalism for ultracold scattering with isotropic spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Wang, Su-Ju; Greene, Chris H.

    2015-02-01

    A general treatment of ultracold two-body scattering in the presence of isotropic spin-orbit coupling (SOC) is presented. Owing to the mixing of different partial-wave channels, scattering with SOC is in general a coupled multichannel problem. A systematic method is introduced to analytically solve a class of coupled differential equations by recasting the coupled-channel problem as a simple eigenvalue problem. The exact Green's matrix in the presence of SOC is found, which readily gives the scattering solutions for any two identical particles in any total angular momentum subspace having negligible center-of-mass momentum. Application of this formalism to two spin-1 bosons shows the ubiquitous low-energy threshold behavior for systems with isotropic SOC. A modified threshold behavior shows up, which does not occur for the spin-orbit coupled spin-1/2 system. We also confirm the parity-breaking mechanism for the spontaneous emergence of handedness, which has been proposed by Duan et al. [H. Duan, L. You, and B. Gao, Phys. Rev. A 87, 052708 (2013), 10.1103/PhysRevA.87.052708]. Additionally, a two-body bound state is found for any arbitrarily small and negative scattering length. Our study sheds light on the few-body side of SOC physics and provides one step towards understanding ultracold scattering in a non-Abelian gauge field.

  17. Emergence of Chirality from Isotropic Interactions of Three Length Scales.

    PubMed

    Mkhonta, S K; Elder, K R; Huang, Zhi-Feng

    2016-05-20

    Chirality is known to play a pivotal role in determining material properties and functionalities. However, it remains a great challenge to understand and control the emergence of chirality and the related enantioselective process particularly when the building components of the system are achiral. Here we explore the generic mechanisms driving the formation of two-dimensional chiral structures in systems characterized by isotropic interactions and three competing length scales. We demonstrate that starting from isotropic and rotationally invariant interactions, a variety of chiral ordered patterns and superlattices with anisotropic but achiral units can self-assemble. The mechanisms for selecting specific states are related to the length-scale coupling and the selection of resonant density wave vectors. Sample phase diagrams and chiral elastic properties are identified. These findings provide a viable route for predicting chiral phases and selecting the desired handedness.

  18. Acoustic-elastodynamic interaction in isotropic fractal media

    NASA Astrophysics Data System (ADS)

    Joumaa, H.; Ostoja-Starzewski, M.

    2013-09-01

    This research explores the acoustic-elastodynamic interaction in isotropic fractal media. The analysis discusses the direct coupling of two constitutive models under dynamic loading: a continuous solid and an isotropic fractal medium. We consider two situations where in the first, the fractal medium is enclosed within a thin spherical shell (interior problem), while in the second, the fractal medium extends infinitely outside the shell (exterior problem). The two problems are simulated analytically, and the exact solution for the shell displacement is expressed in closed form in the Laplace domain. The formulation of the radiation condition for infinite fractal media is essential to derive the exterior problem's solution. This study represents a meaningful idealization of real-application problems involving the interaction of multi-constitutive media, e.g. the human brain, whereby fractal features affect the response of this body under various excitations.

  19. Classical kinematics for isotropic, minimal Lorentz-violating fermion operators

    NASA Astrophysics Data System (ADS)

    Schreck, M.

    2015-05-01

    In this article a particular classical, relativistic Lagrangian based on the isotropic fermion sector of the Lorentz-violating (minimal) Standard Model extension is considered. The motion of the associated classical particle in an external electromagnetic field is studied, and the evolution of its spin, which is introduced by hand, is investigated. It is shown that the particle travels along trajectories that are scaled versions of the standard ones. Furthermore there is no spin precession due to Lorentz violation, but the rate is modified at which the longitudinal and transverse spin components transform into each other. This demonstrates that it is practical to consider classical physics within such an isotropic Lorentz-violating framework and it opens the pathway to study a curved background in that context.

  20. An endochronic theory for transversely isotropic fibrous composites

    NASA Technical Reports Server (NTRS)

    Pindera, M. J.; Herakovich, C. T.

    1981-01-01

    A rational methodology of modelling both nonlinear and elastic dissipative response of transversely isotropic fibrous composites is developed and illustrated with the aid of the observed response of graphite-polyimide off-axis coupons. The methodology is based on the internal variable formalism employed within the text of classical irreversible thermodynamics and entails extension of Valanis' endochronic theory to transversely isotropic media. Applicability of the theory to prediction of various response characteristics of fibrous composites is illustrated by accurately modelling such often observed phenomena as: stiffening reversible behavior along fiber direction; dissipative response in shear and transverse tension characterized by power-laws with different hardening exponents; permanent strain accumulation; nonlinear unloading and reloading; and stress-interaction effects.

  1. Reynolds number scaling of velocity increments in isotropic turbulence

    NASA Astrophysics Data System (ADS)

    Iyer, Kartik P.; Sreenivasan, Katepalli R.; Yeung, P. K.

    2017-02-01

    Using the largest database of isotropic turbulence available to date, generated by the direct numerical simulation (DNS) of the Navier-Stokes equations on an 81923 periodic box, we show that the longitudinal and transverse velocity increments scale identically in the inertial range. By examining the DNS data at several Reynolds numbers, we infer that the contradictory results of the past on the inertial-range universality are artifacts of low Reynolds number and residual anisotropy. We further show that both longitudinal and transverse velocity increments scale on locally averaged dissipation rate, just as postulated by Kolmogorov's refined similarity hypothesis, and that, in isotropic turbulence, a single independent scaling adequately describes fluid turbulence in the inertial range.

  2. Anomalous postcritical refraction behavior for certain transversely isotropic media.

    PubMed

    Fa, Lin; Brown, Ray L; Castagna, John P

    2006-12-01

    Snell's law at the boundary between two transversely isotropic media with a vertical axis of symmetry (VTI media) can be solved by setting up a fourth order polynomial for the sine of the reflection/transmission angles. This approach reveals the possible presence of an anomalous postcritical angle for certain transversely isotropic media. There are thus possibly three incident angle regimes for the reflection/refraction of longitudinal or transverse waves incident upon a VTI medium: precritical, postcritical/preanomalous, and postanomalous. The anomalous angle occurs for certain strongly anisotropic media where the required root to the phase velocity equation must be switched in order to obey Snell's law. The reflection/transmission coefficients, polarization directions, and the phase velocity are all affected by both the anisotropy and the incident angle. The incident critical angles are also effected by the anisotropy.

  3. Narrow-field radiometry in a quasi-isotropic atmosphere

    NASA Technical Reports Server (NTRS)

    Holmes, A.; Palmer, J. M.; Tomasko, M. G.

    1979-01-01

    If a radiometer having a narrow field of view is used to measure the radiance of a source such as a quasi-isotropic atmosphere, a knowledge of the out-of-field responsivity is critical. For example, if a radiometer with a field of view of 5 deg (full-angle) has a relative responsivity of 0.0001 for the out-of-field radiation, the contribution of the out-of-field radiation (assuming an isotropic source subtending 2 steradians) is 10.5% of the total signal. Either the stray light suppression of the radiometer must be extremely high or methods of determining the out-of-field response must be developed. A description of one method of determining the effect of out-of-field response and its application to a planetary atmospheric radiometer is presented.

  4. Transformation media producing quasi-perfect isotropic emission.

    PubMed

    Tichit, Paul-Henri; Burokur, Shah Nawaz; de Lustrac, André

    2011-10-10

    Using the idea of wave manipulation via transformation optics, we propose a way to create a quasi-perfect isotropic emission from a directional one. The manipulation is enabled by composite metamaterials that correspond to a space stretching around the source. It is shown that the directive radiation of a plane source larger than the operating wavelength can be transformed into an isotropic one by modifying the electromagnetic properties of the space around it. A set of parameters allowing practical realization of the proposed device is defined. Numerical simulations using Finite Element Method (FEM) are performed to illustrate the proposed coordinate transformation. This idea, which consists in strongly reducing the apparent size of a radiating source, can find various applications in novel antenna design techniques.

  5. Gravitational Landau damping for an isotropic cluster of stars

    NASA Technical Reports Server (NTRS)

    Habib, Salman; Kandrup, Henry E.; Yip, Ping F.

    1986-01-01

    The problem of ascertaining the dynamical stability and the existence of Landau damping in static, isotropic 'collisionless' star clusters is addressed. The second-order formalism of Kandrup and Sygnet (1985) is applied to a homogeneous and isotropic plasma, demonstrating formally that the unperturbed configuration will always be stable and that the modes must be purely oscillatory. The form of these modes is explicitly examined, culminating in an analytic expression for the time evolution of the density induced by an initial perturbation. It is shown how these considerations can be adapted trivially to localized, nonradial disturbances of a self-gravitating system of stars. The possible existence of gravitational Landau damping for more generic perturbations is discussed.

  6. On the elasticity of transverse isotropic soft tissues (L).

    PubMed

    Royer, Daniel; Gennisson, Jean-Luc; Deffieux, Thomas; Tanter, Mickaël

    2011-05-01

    Quantitative elastography techniques have recently been developed to estimate the shear modulus μ of soft tissues in vivo. In the case of isotropic and quasi-incompressible media, the Young's modulus E is close to 3 μ, which is not true in transverse anisotropic tissues such as muscles. In this letter, the transverse isotropic model established for hexagonal crystals is revisited in the case of soft solids. Relationships between elastic constants and Young's moduli are derived and validated on experimental data found in the literature. It is shown that 3 μ(⊥) ≤ E(⊥) ≤ 4 μ(⊥) and that E(//) cannot only be determined from the measurements of μ(//) and μ(⊥).

  7. Particle dynamics during the transition from isotropic to anisotropic turbulence

    NASA Astrophysics Data System (ADS)

    Lee, Chung-Min; Gylfason, Armann; Toschi, Federico

    2016-11-01

    Turbulent fluctuations play an important role on the dynamics of particles in turbulence, enhancing their dispersion and mixing. In recent years the statistical properties of particles in several statistically stationary turbulent flows have been the subject of many numerical and experimental studies. In many natural and industrial environments, however, one deals with turbulence in a transient state. As a prototype system, we investigate the transition from an isotropic to an anisotropic flow, namely looking at the influence of a developing mean flow on the dynamics of particles. We simulate, via direct numerical simulation, stationary homogeneous and isotropic turbulence and then suddenly impose a mean shear or strain. This allows us to quantify the effects of the mean flow on particle dynamics in these transient periods. Preliminary results on single particle properties, such as velocities and accelerations will be reported.

  8. The structure of foam cells: Isotropic Plateau polyhedra

    NASA Astrophysics Data System (ADS)

    Hilgenfeldt, S.; Kraynik, A. M.; Reinelt, D. A.; Sullivan, J. M.

    2004-08-01

    A mean-field theory for the geometry and diffusive growth rate of soap bubbles in dry 3D foams is presented. Idealized foam cells called isotropic Plateau polyhedra (IPPs), with F identical spherical-cap faces, are introduced. The geometric properties (e.g., surface area S, curvature R, edge length L, volume V) and growth rate Script G of the cells are obtained as analytical functions of F, the sole variable. IPPs accurately represent average foam bubble geometry for arbitrary F >= 4, even though they are only constructible for F = 4,6,12. While R/V1/3, L/V1/3 and Script G exhibit F1/2 behavior, the specific surface area S/V2/3 is virtually independent of F. The results are contrasted with those for convex isotropic polyhedra with flat faces.

  9. Gravitational Landau damping for an isotropic cluster of stars

    NASA Technical Reports Server (NTRS)

    Habib, Salman; Kandrup, Henry E.; Yip, Ping F.

    1986-01-01

    The problem of ascertaining the dynamical stability and the existence of Landau damping in static, isotropic 'collisionless' star clusters is addressed. The second-order formalism of Kandrup and Sygnet (1985) is applied to a homogeneous and isotropic plasma, demonstrating formally that the unperturbed configuration will always be stable and that the modes must be purely oscillatory. The form of these modes is explicitly examined, culminating in an analytic expression for the time evolution of the density induced by an initial perturbation. It is shown how these considerations can be adapted trivially to localized, nonradial disturbances of a self-gravitating system of stars. The possible existence of gravitational Landau damping for more generic perturbations is discussed.

  10. Forward Analysis of Transversely Isotropic Thin Film by Indentation Method

    NASA Astrophysics Data System (ADS)

    Zhi, Zheng

    Instrument indentation based methods for determining elasto-plastic properties of bulk specimen or thin film have received considerable and continue growing attention for recent decades, due to its simplicity, operability, and potential applications. However, the researches of transversely isotropic thin film are still at the beginning stage. In order to obtain a deeper understand of the relationship between P -- h curve and thin film properties, both dimensional analysis method and finite element method were applied in the present work. Extensive computational analysis of 630 sets of materials properties was carried out here. Through systematical studies, a more reasonable and intrinsic relationship, between indenter displacement h and the force P on it, was revealed. Also, an effect of materials transverse isotropic properties was summarized. Moreover, accurate and powerful forward analysis functions were established at the end of this thesis. These functions were, then, tested and mismatches were studied.

  11. Anomalous postcritical refraction behavior for certain transversely isotropic media

    USGS Publications Warehouse

    Fa, L.; Brown, R.L.; Castagna, J.P.

    2006-01-01

    Snell's law at the boundary between two transversely isotropic media with a vertical axis of symmetry (VTI media) can be solved by setting up a fourth order polynomial for the sine of the reflection/transmission angles. This approach reveals the possible presence of an anomalous postcritical angle for certain transversely isotropic media. There are thus possibly three incident angle regimes for the reflection/refraction of longitudinal or transverse waves incident upon a VTI medium: precritical, postcritical/preanomalous, and postanomalous. The anomalous angle occurs for certain strongly anisotropic media where the required root to the phase velocity equation must be switched in order to obey Snell's law. The reflection/transmission coefficients, polarization directions, and the phase velocity are all affected by both the anisotropy and the incident angle. The incident critical angles are also effected by the anisotropy. ?? 2006 Acoustical Society of America.

  12. Reduction of the codimension for lightlike isotropic submanifolds

    NASA Astrophysics Data System (ADS)

    Atindogbe, Cyriaque; Ezin, Jean-Pierre; Tossa, Joël

    2002-05-01

    We give a sufficient condition for a lightlike isotropic submanifold M, of dimension n, which is not totally geodesic in a semi-Riemannian manifold of constant curvature c and of dimension n+ p( n< p), to admit a reduction of codimension. We show that this condition is a necessary and sufficient condition on the first transversal space of M. There are basic and non-trivial differences from the Riemannian case, as developed by Dajczer et al. [Mathematics Lectures Series, Vol. 13, 1990], due to the degenerate metric on M. This result extends in some sense, the one in [J. Diff. Geom. 5 (1971) 333; Topology 25 (4) (1986) 541; Mathematics Lectures Series, Vol. 13, 1990] to lightlike isotropic submanifolds.

  13. Plane Waves in a Transparent Isotropic Chiral Medium

    NASA Astrophysics Data System (ADS)

    Fisanov, V. V.

    2015-04-01

    A homogeneous isotropic transparent chiral medium supports two normal plane waves with left and right circular polarization and differently valued positive wave numbers. The presence or absence of forward and backward Beltrami waves and their helicity are regulated by the signs of the permittivity and permeability and the strength of the chirality. The ray refractive index is a universal parameter whose sign differentiates the forward and backward waves.

  14. Cosmic-ray pitch-angle scattering in isotropic turbulence

    NASA Technical Reports Server (NTRS)

    Bieber, John W.; Smith, Charles W.; Matthaeus, William H.

    1988-01-01

    A dissipation range is incorporated in the turbulence model to reconcile the divergent conclusions from studies of cosmic-ray pitch-angle scattering in isotropic magnetic turbulence. The Fokker-Planck coefficient for pitch-angle scattering is calculated. It is shown that the slab form of the Fokker-Plank coefficient (Jokipii, 1966) is valid at very low energies, while the nonslab form (Fisk, 1974) is valid at intermediate energies.

  15. Rodlike localized structure in isotropic pattern-forming systems.

    PubMed

    Bordeu, Ignacio; Clerc, Marcel G

    2015-10-01

    Stationary two-dimensional localized structures have been observed in a wide variety of dissipative systems. The existence, stability properties, dynamical evolution, and bifurcation diagram of an azimuthal symmetry breaking, rodlike localized structure in the isotropic prototype model of pattern formation, the Swift-Hohenberg model, is studied. These rodlike structures persist under the presence of nongradient perturbations. Interaction properties of the rodlike structures are studied. This allows us to envisage the possibility of different crystal-like configurations.

  16. Frequency dependent thermal expansion in binary viscoelasticcomposites

    SciTech Connect

    Berryman, James G.

    2007-12-01

    The effective thermal expansion coefficient beta* of abinary viscoelastic composite is shown to be frequency dependent even ifthe thermal expansion coefficients beta A and beta B of both constituentsare themselves frequency independent. Exact calculations for binaryviscoelastic systems show that beta* is related to constituent valuesbeta A, beta B, volume fractions, and bulk moduli KA, KB, as well as tothe overall bulk modulus K* of the composite system. Then, beta* isdetermined for isotropic systems by first bounding (or measuring) K* andtherefore beta*. For anisotropic systems with hexagonal symmetry, theprincipal values of the thermal expansion beta*perp and beta*para can bedetermined exactly when the constituents form a layered system. In allthe examples studied, it is shown explicitly that the eigenvectors of thethermoviscoelastic system possess non-negative dissipation -- despite thecomplicated analytical behavior of the frequency dependent thermalexpansivities themselves. Methods presented have a variety ofapplications from fluid-fluid mixtures to fluid-solid suspensions, andfrom fluid-saturated porous media to viscoelastic solid-solidcomposites.

  17. Delamination of isotropic and orthotropic multi-layers

    NASA Astrophysics Data System (ADS)

    Narayan, Shri Hari

    Inter-layer debonding or delamination is a prevalent damage phenomenon in multi-layered components in applications such as coatings, microelectronics, parts made by layered manufacturing methods and resin matrix composites. A common thread in these applications is the existence of multi-layered configurations with interfaces which are potential sites for damage initiation and growth in the form of interfacial cracks. In this thesis, fundamental concepts until now used in analyzing debonding between isotropic bimaterials are extended to the study of interfacial delamination in multi-layer configurations. The thesis is divided into two main sections. In the first section, focus is on the use of energy release rate quantities within the framework of interfacial fracture mechanics, to predict susceptibility to delamination of two-dimensional isotropic multi-layers under residual stress. Bounds on energy release rates are obtained analytically for two generic isotropic multi-layer configurations and numerical results are presented for a number of cases, verifying theoretical predictions. In the second section, effort is centered on developing interfacial fracture mechanics methods for application to debonding in resin-matrix composites which can be modeled as orthotropic multi-layers. Two specific issues are addressed, namely those of: (i) extracting non-oscillatory measures of mode mix from oscillatory models and (ii) designation of mode mix in composite debonding problems. The methods are developed for application to resin-matrix composites; however, the scope is not limited to composites but any orthotropic interfacial fracture problem.

  18. Transversely isotropic higher-order averaged structure tensors

    NASA Astrophysics Data System (ADS)

    Hashlamoun, Kotaybah; Federico, Salvatore

    2017-08-01

    For composites or biological tissues reinforced by statistically oriented fibres, a probability distribution function is often used to describe the orientation of the fibres. The overall effect of the fibres on the material response is accounted for by evaluating averaging integrals over all possible directions in space. The directional average of the structure tensor (tensor product of the unit vector describing the fibre direction by itself) is of high significance. Higher-order averaged structure tensors feature in several models and carry similarly important information. However, their evaluation has a quite high computational cost. This work proposes to introduce mathematical techniques to minimise the computational cost associated with the evaluation of higher-order averaged structure tensors, for the case of a transversely isotropic probability distribution of orientation. A component expression is first introduced, using which a general tensor expression is obtained, in terms of an orthonormal basis in which one of the vectors coincides with the axis of symmetry of transverse isotropy. Then, a higher-order transversely isotropic averaged structure tensor is written in an appropriate basis, constructed starting from the basis of the space of second-order transversely isotropic tensors, which is constituted by the structure tensor and its complement to the identity.

  19. Studies of Shock Wave Interactions with Homogeneous and Isotropic Turbulence

    NASA Technical Reports Server (NTRS)

    Briassulis, G.; Agui, J.; Watkins, C. B.; Andreopoulos, Y.

    1998-01-01

    A nearly homogeneous nearly isotropic compressible turbulent flow interacting with a normal shock wave has been studied experimentally in a large shock tube facility. Spatial resolution of the order of 8 Kolmogorov viscous length scales was achieved in the measurements of turbulence. A variety of turbulence generating grids provide a wide range of turbulence scales. Integral length scales were found to substantially decrease through the interaction with the shock wave in all investigated cases with flow Mach numbers ranging from 0.3 to 0.7 and shock Mach numbers from 1.2 to 1.6. The outcome of the interaction depends strongly on the state of compressibility of the incoming turbulence. The length scales in the lateral direction are amplified at small Mach numbers and attenuated at large Mach numbers. Even at large Mach numbers amplification of lateral length scales has been observed in the case of fine grids. In addition to the interaction with the shock the present work has documented substantial compressibility effects in the incoming homogeneous and isotropic turbulent flow. The decay of Mach number fluctuations was found to follow a power law similar to that describing the decay of incompressible isotropic turbulence. It was found that the decay coefficient and the decay exponent decrease with increasing Mach number while the virtual origin increases with increasing Mach number. A mechanism possibly responsible for these effects appears to be the inherently low growth rate of compressible shear layers emanating from the cylindrical rods of the grid.

  20. Depth migration in transversely isotropic media with explicit operators

    SciTech Connect

    Uzcategui, Omar

    1994-12-01

    The author presents and analyzes three approaches to calculating explicit two-dimensional (2D) depth-extrapolation filters for all propagation modes (P, SV, and SH) in transversely isotropic media with vertical and tilted axis of symmetry. These extrapolation filters are used to do 2D poststack depth migration, and also, just as for isotropic media, these 2D filters are used in the McClellan transformation to do poststack 3D depth migration. Furthermore, the same explicit filters can also be used to do depth-extrapolation of prestack data. The explicit filters are derived by generalizations of three different approaches: the modified Taylor series, least-squares, and minimax methods initially developed for isotropic media. The examples here show that the least-squares and minimax methods produce filters with accurate extrapolation (measured in the ability to position steep reflectors) for a wider range of propagation angles than that obtained using the modified Taylor series method. However, for low propagation angles, the modified Taylor series method has smaller amplitude and phase errors than those produced by the least-squares and minimax methods. These results suggest that to get accurate amplitude estimation, modified Taylor series filters would be somewhat preferred in areas with low dips. In areas with larger dips, the least-squares and minimax methods would give a distinctly better delineation of the subsurface structures.

  1. Dynamics of a discotic liquid crystal in the isotropic phase

    NASA Astrophysics Data System (ADS)

    Li, Jie; Fruchey, Kendall; Fayer, M. D.

    2006-11-01

    Optically heterodyne-detected optical Kerr effect (OHD-OKE) experiments are conducted to study the orientational dynamics of a discotic liquid crystal 2,3,6,7,10,11-hexakis(pentyloxy)triphenylene (HPT) in the isotropic phase near the columnar-isotropic (C-I) phase transition. The OHD-OKE signal of HPT is characterized by an intermediate power law t-0.76±0.02 at short times (a few picoseconds), a von Schweidler power law t-0.26±0.01 at intermediate times (hundreds of picoseconds), and an exponential decay at long times (tens of nanoseconds). The exponential decay has Arrhenius temperature dependence. The functional form of the total time dependent decay is identical to the one observed previously for a large number of molecular supercooled liquids. The mode coupling theory schematic model based on the Sjögren [Phys. Rev. A 33, 1254 (1986)] model is able to reproduce the HPT data over a wide range of times from <1ps to tens of nanoseconds. The studies indicate that the HPT C-I phase transition is a strong first order transition, and the dynamics in the isotropic phase display a complex time dependent profile that is common to other molecular liquids that lack mesoscopic structure.

  2. Spontaneous Ferromagnetic Ordering of Nanoplatelets in Isotropic Solvent

    NASA Astrophysics Data System (ADS)

    Shuai, Min; Klittnick, Arthur; Tuchband, Michael; Glaser, Matthew; Maclennan, Joseph; Clark, Noel; Petschek, Rolfe; Mertelj, Alenka; Lisjak, Darja; Copic, Martin

    2015-03-01

    Room-temperature ferromagnetic fluids were first experimentally demonstrated by Mertelj, et al (Nature, 504: 237-241, 2013), by suspending surfactant wrapped coated barium hexaferrite (BHXF) nanoplates in the liquid crystal 5CB. We have studied the liquid crystal phase behavior of BHXF magnetic platelets suspended in isotropic solvent (1-butanol) at high volume fraction, where simulations predict an N-I transition for monodisperse hard plates. In these suspensions, the anisotropic particles can be aligned by magnetic fields as weak as 2 gauss, leading to a state with substantial birefringence and dichroism. When the volume fraction of the magnetic platelets is higher than 28%, we observe a phase co-existence, with an isotropic state at the top of a capillary and a birefringence phase at the bottom. In the lower phase, domains are found to have different magneto-optical response from each other and the response is dependent on the sign of the magnetic field, showing broken time-reversal symmetry and ferromagnetism. Spike structures are observed at the interface between the isotropic and ferromagnetic states. This work is supported by NSF MRSEC Grant DMR-0820579 and ICAM Postdoctoral Fellowship Award OCG5711B.

  3. Thai Negation.

    ERIC Educational Resources Information Center

    Alam, Samsul

    A study analyzed the structure of negative sentences in the Thai language, based on data gathered from two native speakers. It is shown that the Thai negative marker generally occurs between the noun phrase (subject) and the verb phrase in simple active sentences and in passive sentences. Negation of noun phrases is also allowed in Thai, with a…

  4. Thermal expansion in metal/lithia-alumina-silica (LAS) composites

    NASA Astrophysics Data System (ADS)

    Wolff, E. G.

    1988-03-01

    Lithia-alumina-silica (LAS) with metallic dispersions offers a new approach toward near-zero, isotropic, thermal expansion composites. The metallic phase contributes a positive coefficient of thermal expansion (CTE) to the negative CTE of the glass/ceramic matrix. In addition, the metal will increase the electrical and thermal conductivities over those of the matrix alone. The LAS system offers tailorable negative CTEs and light weight compared to other negative CTE ceramics. The most negative CTE phase is crystalline β-eucryptite, whose proportion in an initially glassy matrix can be controlled by heat treatment. Dispersed metal powders were both hot-pressed and cold-pressed and sintered together with LAS matrices prepared by sol gel methods. Super Invar powder was studied for its minimal CTE mismatch, while titanium powders offered a compromise between light weight and low CTE. An ultralow-expansion (ULE) glass- and linear variable differential transducer (LVDT)-based differential dilatometer was developed for rapid screening of compositions, while a double-laser Michelson interferometer was used for precise near-zero CTE measurements. The reinforced β-eucryptite glass/ceramic matrix exhibited both a U-shaped ΔL/L curve with temperature and some thermal hysteresis, depending on the fabrication and heat treatment sequences. The temperature of the zero-CTE portion of this curve was found to change with increasing titanium powder content. Results are also given for mixtures of Super Invar powders in ULE glass and β-eucryptite matrices. Negative CTEs in a LAS matrix above ambient temperatures were more difficult to obtain than below, although the use of petalite (high-silica LAS) appears promising.

  5. Isotropic non-ideal cloaks providing improved invisibility by adaptive segmentation and optimal refractive index profile from ordering isotropic materials.

    PubMed

    Qiu, C W; Hu, L; Zouhdi, S

    2010-07-05

    Mimicking the ideal cloak, which is anisotropic and inhomogeneous, can be achieved by alternating homogeneous isotropic materials, whose permittivity and permeability of each isotropic coating can be determined from effective medium theory. An improved two-fold method is proposed by optimally discretizing the cloak and re-ordering the combination of the effective parameters of each layer to form a smooth step-index profile. The roles of impedance matching and index matching are investigated for cloaking effects. Smoothing the index profile leads to better invisibility than that obtained by smoothing the impedance profile, since the forward scattering can be further diminished. Nonlinear-transformationbased spherical ideal cloaks are studied, and improved design method is explored together with different segmentation schemes. Significant improvement in invisibility is always observed for the optimal segmentation in virtual space with the proposed two-fold design method no matter how nonlinear the coordinate transformation is.

  6. An Analysis of the Decay of Saint-Venant End Effects in a Transversely Isotropic Matrix with an Isotropic Covering

    NASA Astrophysics Data System (ADS)

    Bystrov, V. M.; Kokhanenko, Yu. V.

    2002-03-01

    A calculation model is proposed for a numerical analysis of the decay of Saint-Venant end effects in a laminate material of irregular structure to which corresponds a transversely isotropic matrix with an isotropic covering. The elastic properties of the matrix correspond to those of a unidirectional glass-fiber-reinforced plastic. The problem is investigated within the framework of the concept of a representative element of the material. The decay of the end effect in the direction perpendicular to the isotropy plane of a transversely isotropic matrix for the case of symmetric deformation of the material is considered. The source of the end effect is simulated by a piecewise-constant periodic surface load. This load is local for the calculated region and changes within a part of the boundary comparable with the typical size of the structural heterogeneity of the material. The equations of the linear elasticity theory of orthotropic bodies, a model of piecewise-homogeneous media, and quantitative criteria of decay of the end effect are used. Starting from the base system of equations, a discrete problem is constructed and solved. The results of a computing experiment for the choice of a representative element and the results of determining the maximum extent of the end-effect zone for this element are presented.

  7. Comparison between isotropic linear-elastic law and isotropic hyperelastic law in the finite element modeling of the brachial plexus.

    PubMed

    Perruisseau-Carrier, A; Bahlouli, N; Bierry, G; Vernet, P; Facca, S; Liverneaux, P

    2017-04-03

    Augmented reality could help the identification of nerve structures in brachial plexus surgery. The goal of this study was to determine which law of mechanical behavior was more adapted by comparing the results of Hooke's isotropic linear elastic law to those of Ogden's isotropic hyperelastic law, applied to a biomechanical model of the brachial plexus. A model of finite elements was created using the ABAQUS(®) from a 3D model of the brachial plexus acquired by segmentation and meshing of MRI images at 0°, 45° and 135° of shoulder abduction of a healthy subject. The offset between the reconstructed model and the deformed model was evaluated quantitatively by the Hausdorff distance and qualitatively by the identification of 3 anatomical landmarks. In every case the Hausdorff distance was shorter with Ogden's law compared to Hooke's law. On a qualitative aspect, the model deformed by Ogden's law followed the concavity of the reconstructed model whereas the model deformed by Hooke's law remained convex. In conclusion, the results of this study demonstrate that the behavior of Ogden's isotropic hyperelastic mechanical model was more adapted to the modeling of the deformations of the brachial plexus. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  8. Suppression of Brewster delocalization anomalies in an alternating isotropic-birefringent random layered medium

    NASA Astrophysics Data System (ADS)

    Jordan, T. M.; Partridge, J. C.; Roberts, N. W.

    2013-07-01

    We investigate the polarization dependence of localization length in alternating isotropic-birefringent stacks with uncorrelated thickness disorder. The birefringent layers can be positive uniaxial, negative uniaxial, or a mixture of both. Stacks which contain a mixture are shown to suppress the Brewster delocalization anomalies and, over all incident angles, exhibit p-polarization localization length maxima that are of similar magnitude to normal incidence. Furthermore, we propose a parameter set that enables the p-polarization localization length to monotonically decrease with angle of incidence. This investigation was inspired by weakly polarizing mirrors on the sides of silvery fish and provides a generic means to produce polarization-insensitive, broadband reflections from a random, all-dielectric layered medium.

  9. Thermal Properties of G-348 Graphite

    SciTech Connect

    McEligot, Donald; Swank, W. David; Cottle, David L.; Valentin, Francisco I.

    2016-05-01

    Fundamental measurements have been obtained in the INL Graphite Characterization Laboratory to deduce the temperature dependence of thermal conductivity for G-348 isotropic graphite, which has been used by City College of New York in thermal experiments related to gas-cooled nuclear reactors. Measurements of thermal diffusivity, mass, volume and thermal expansion were converted to thermal conductivity in accordance with ASTM Standard Practice C781-08. Data are tabulated and a preliminary correlation for the thermal conductivity is presented as a function of temperature from laboratory temperature to 1000C.

  10. Origins of Negative Strain Rate Dependence of Stress Corrosion Cracking Initiation in Alloy 690, and Intergranular Crack Formation in Thermally Treated Alloy 690

    NASA Astrophysics Data System (ADS)

    Kim, Young Suk; Kim, Sung Soo

    2016-09-01

    We show that enhanced stress corrosion cracking (SCC) initiation in cold-rolled Alloy 690 with decreasing strain rate is related to the rate of short-range ordering (SRO) but not to the time-dependent corrosion process. Evidence for SRO is provided by aging tests on cold-rolled Alloy 690 at 623 K and 693 K (350 °C and 420 °C), respectively, which demonstrate its enhanced lattice contraction and hardness increase with aging temperature and time, respectively. Secondary intergranular cracks formed only in thermally treated and cold-rolled Alloy 690 during SCC tests, which are not SCC cracks, are caused by its lattice contraction by SRO before SCC tests but not by the orientation effect.

  11. Thermal cloak-concentrator

    NASA Astrophysics Data System (ADS)

    Shen, Xiangying; Li, Ying; Jiang, Chaoran; Ni, Yushan; Huang, Jiping

    2016-07-01

    For macroscopically manipulating heat flow at will, thermal metamaterials have opened a practical way, which possesses a single function, such as either cloaking or concentrating the flow of heat even though environmental temperature varies. By developing a theory of transformation heat transfer for multiple functions, here we introduce the concept of intelligent thermal metamaterials with a dual function, which is in contrast to the existing thermal metamaterials with single functions. By assembling homogeneous isotropic materials and shape-memory alloys, we experimentally fabricate a kind of intelligent thermal metamaterials, which can automatically change from a cloak (or concentrator) to a concentrator (or cloak) when the environmental temperature changes. This work paves an efficient way for a controllable gradient of heat, and also provides guidance both for arbitrarily manipulating the flow of heat and for efficiently designing similar intelligent metamaterials in other fields.

  12. Materials with negative stiffness

    NASA Astrophysics Data System (ADS)

    Jaglinski, Tim

    Negative stiffness, or a reversal in the usual assumed direction between causal forces and ensuing deformations, has been proposed as a pathway to materials which exceed theoretical performance bounds. Negative stiffness, as a concept, represents a relaxation of tacitly assumed material behavior, but it violates no natural laws. Negative stiffness, normally unstable without constraint, is permissible for stability under special conditions, for example a rigid boundary constraint so long as the material satisfies strong ellipticity in the parlance of elasticity. Hence, negative stiffness is not observed in materials or structures which are not constrained. If negative stiffness is allowed for inclusions of material, which are surrounded by a stabilizing positive stiffness matrix, composite theory predicts large increases in the mechanical damping and composite stiffness. The work herein explores several material systems which possess negative stiffness, and seeks to characterize the composite mechanical properties of these systems. Two metal matrix composite systems, namely Sn-VO2 and Sn-BaTIO3, were investigated. Here, negative stiffness arises from the ferroelastic phase transformations in the ceramic inclusions; stability is imparted by the tin matrix. Polycrystalline In-Tl and BaTIO 3 were also studied. Here, the entire material volume is phase transforming. Constraint is imparted on a small volume fraction of crystallites by the surrounding material. Various manifestations of negative stiffness were observed. Thermally broad damping peaks which depended upon thermal cycling were observed in the Sn-VO2 composites. Furthermore, mechanical instabilities were seen in composites intentionally designed to be unstable. Negative stiffness was indicated in the In-Tl alloy by magnification of damping peaks over those observed in single crystals, increases in damping peaks with increased cooling rates, occurrence of damping peaks before the appearance of martensite and

  13. Random shearing direction models for isotropic turbulent diffusion

    NASA Astrophysics Data System (ADS)

    Majda, Andrew J.

    1994-06-01

    Recently, a rigorous renormalization theory for various scalar statistics has been developed for special modes of random advection diffusion involving random shear layer velocity fields with long-range spatiotemporal correlations. New random shearing direction models for isotropic turbulent diffusion are introduced here. In these models the velocity field has the spatial second-order statistics of an arbitrary prescribed stationary incompressible isotropic random field including long-range spatial correlations with infrared divergence, but the temporal correlations have finite range. The explicit theory of renormalization for the mean and second-order statistics is developed here. With ɛ the spectral parameter, for -∞<ɛ<4 and measuring the strength of the infrared divergence of the spatial spectrum, the scalar mean statistics rigorously exhibit a phase transition from mean-field behavior for ɛ<2 to anomalous behavior for ɛ with 2<ɛ<4 as conjectured earlier by Avellaneda and the author. The universal inertial range renormalization for the second-order scalar statistics exhibits a phase transition from a covariance with a Gaussian functional form for ɛ with ɛ<2 to an explicit family with a non-Gaussian covariance for ɛ with 2<ɛ<4. These non-Gaussian distributions have tails that are broader than Gaussian as ɛ varies with 2<ɛ<4 and behave for large values like exp(- C c | x|4-ɛ), with C c an explicit constant. Also, here the attractive general principle is formulated and proved that every steady, stationary, zero-mean, isotropic, incompressible Gaussian random velocity field is well approximated by a suitable superposition of random shear layers.

  14. Identifying isotropic events using a regional moment tensor inversion

    DOE PAGES

    Ford, Sean R.; Dreger, Douglas S.; Walter, William R.

    2009-01-17

    We calculate the deviatoric and isotropic source components for 17 explosions at the Nevada Test Site, as well as 12 earthquakes and 3 collapses in the surrounding region of the western United States, using a regional time domain full waveform inversion for the complete moment tensor. The events separate into specific populations according to their deviation from a pure double-couple and ratio of isotropic to deviatoric energy. The separation allows for anomalous event identification and discrimination between explosions, earthquakes, and collapses. Confidence regions of the model parameters are estimated from the data misfit by assuming normally distributed parameter values. Wemore » investigate the sensitivity of the resolved parameters of an explosion to imperfect Earth models, inaccurate event depths, and data with low signal-to-noise ratio (SNR) assuming a reasonable azimuthal distribution of stations. In the band of interest (0.02–0.10 Hz) the source-type calculated from complete moment tensor inversion is insensitive to velocity model perturbations that cause less than a half-cycle shift (<5 s) in arrival time error if shifting of the waveforms is allowed. The explosion source-type is insensitive to an incorrect depth assumption (for a true depth of 1 km), and the goodness of fit of the inversion result cannot be used to resolve the true depth of the explosion. Noise degrades the explosive character of the result, and a good fit and accurate result are obtained when the signal-to-noise ratio is greater than 5. We assess the depth and frequency dependence upon the resolved explosive moment. As the depth decreases from 1 km to 200 m, the isotropic moment is no longer accurately resolved and is in error between 50 and 200%. Furthermore, even at the most shallow depth the resultant moment tensor is dominated by the explosive component when the data have a good SNR.« less

  15. Identifying isotropic events using a regional moment tensor inversion

    SciTech Connect

    Ford, Sean R.; Dreger, Douglas S.; Walter, William R.

    2009-01-17

    We calculate the deviatoric and isotropic source components for 17 explosions at the Nevada Test Site, as well as 12 earthquakes and 3 collapses in the surrounding region of the western United States, using a regional time domain full waveform inversion for the complete moment tensor. The events separate into specific populations according to their deviation from a pure double-couple and ratio of isotropic to deviatoric energy. The separation allows for anomalous event identification and discrimination between explosions, earthquakes, and collapses. Confidence regions of the model parameters are estimated from the data misfit by assuming normally distributed parameter values. We investigate the sensitivity of the resolved parameters of an explosion to imperfect Earth models, inaccurate event depths, and data with low signal-to-noise ratio (SNR) assuming a reasonable azimuthal distribution of stations. In the band of interest (0.02–0.10 Hz) the source-type calculated from complete moment tensor inversion is insensitive to velocity model perturbations that cause less than a half-cycle shift (<5 s) in arrival time error if shifting of the waveforms is allowed. The explosion source-type is insensitive to an incorrect depth assumption (for a true depth of 1 km), and the goodness of fit of the inversion result cannot be used to resolve the true depth of the explosion. Noise degrades the explosive character of the result, and a good fit and accurate result are obtained when the signal-to-noise ratio is greater than 5. We assess the depth and frequency dependence upon the resolved explosive moment. As the depth decreases from 1 km to 200 m, the isotropic moment is no longer accurately resolved and is in error between 50 and 200%. Furthermore, even at the most shallow depth the resultant moment tensor is dominated by the explosive component when the data have a good SNR.

  16. Characterization of Small Isotropic Bicelles with Various Compositions.

    PubMed

    Mineev, K S; Nadezhdin, K D; Goncharuk, S A; Arseniev, A S

    2016-07-05

    Structural studies of membrane proteins are of great importance and interest, with solution and solid state NMR spectroscopy being very promising tools for that task. However, such investigations are hindered by a number of obstacles, and in the first place by the fact that membrane proteins need an adequate environment that models the cell membrane. One of the most widely used and prospective membrane mimetics is isotropic bicelles. While large anisotropic bicelles are well-studied, the field of small bicelles contains a lot of "white spots". The present work reports the radii of particles and concentration of the detergents in the monomeric state in solutions of isotropic bicelles, formed by 1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC), 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate (CHAPS), 3-[(3-cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate (CHAPSO), and sodium cholate, as a function of lipid/detergent ratio and temperature. These parameters were measured using (1)H NMR diffusion spectroscopy for the bicelles composed of lipids with saturated fatty chains of different length and lipids, containing unsaturated fatty acid residue. The influence of a model transmembrane protein (membrane domain of rat TrkA) on the properties of bicelles and the effect of the bicelle size and composition on the properties of the transmembrane protein were investigated with heteronuclear NMR and nuclear Overhauser effect spectroscopy. We show that isotropic bicelles that are applicable for solution NMR spectroscopy behave as predicted by the theoretical models and are likely to be bicelles rather than mixed micelles. Using the obtained data, we propose a simple approach to control the size of bicelles at low concentrations. On the basis of our results, we compared different rim-forming agents and selected CHAPS as a detergent of choice for structural studies in bicelles, if the deuteration of the detergent is not required.

  17. Identifying Isotropic Events Using a Regional Moment Tensor Inversion

    SciTech Connect

    Ford, S R; Dreger, D S; Walter, W R

    2008-11-04

    We calculate the deviatoric and isotropic source components for 17 explosions at the Nevada Test Site, as well as 12 earthquakes and 3 collapses in the surrounding region of the western US, using a regional time-domain full waveform inversion for the complete moment tensor. The events separate into specific populations according to their deviation from a pure double-couple and ratio of isotropic to deviatoric energy. The separation allows for anomalous event identification and discrimination between explosions, earthquakes, and collapses. Confidence regions of the model parameters are estimated from the data misfit by assuming normally distributed parameter values. We investigate the sensitivity of the resolved parameters of an explosion to imperfect Earth models, inaccurate event depths, and data with low signal-to-noise ratio (SNR) assuming a reasonable azimuthal distribution of stations. In the band of interest (0.02-0.10 Hz) the source-type calculated from complete moment tensor inversion is insensitive to velocity models perturbations that cause less than a half-cycle shift (<5 sec) in arrival time error if shifting of the waveforms is allowed. The explosion source-type is insensitive to an incorrect depth assumption (for a true depth of 1 km), and the goodness-of-fit of the inversion result cannot be used to resolve the true depth of the explosion. Noise degrades the explosive character of the result, and a good fit and accurate result are obtained when the signal-to-noise ratio (SNR) is greater than 5. We assess the depth and frequency dependence upon the resolved explosive moment. As the depth decreases from 1 km to 200 m, the isotropic moment is no longer accurately resolved and is in error between 50-200%. However, even at the most shallow depth the resultant moment tensor is dominated by the explosive component when the data have a good SNR.

  18. Simultaneous amplification and attenuation in isotropic chiral materials

    NASA Astrophysics Data System (ADS)

    Mackay, Tom G.; Lakhtakia, Akhlesh

    2016-05-01

    The electromagnetic field phasors in an isotropic chiral material (ICM) are superpositions of two Beltrami fields of different handedness. Application of the Bruggeman homogenization formalism to two-component composite materials delivers ICMs wherein Beltrami fields of one handedness attenuate whereas Beltrami fields of the other handedness amplify. One component material is a dissipative ICM, the other an active dielectric material. The range of the volume fraction of the active component material for which simultaneous amplification and attenuation is exhibited decreases—but does not vanish—as the ICM component becomes more dissipative and as its chirality parameter reduces in magnitude.

  19. Identifying Isotropic Events Using a Regional Moment Tensor Inversion

    SciTech Connect

    Dreger, D S; Ford, S R; Walter, W R

    2009-08-03

    In our previous work the deviatoric and isotropic source components for 17 explosions at the Nevada Test Site, as well as 12 earthquakes and 4 collapses in the surrounding region of the western US, were calculated using a regional time-domain full waveform inversion for the complete moment tensor (Dreger et al., 2008; Ford et al., 2008; Ford et al., 2009a). The events separate into specific populations according to their deviation from a pure double-couple and ratio of isotropic to deviatoric energy. The separation allows for anomalous event identification and discrimination between explosions, earthquakes, and collapses. Confidence regions of the model parameters are estimated from the data misfit by assuming normally distributed parameter values. We developed a new Network Sensitivity Solution (NSS) in which the fit of sources distributed over a source-type plot (Hudson et al., 1989) show the resolution of the source parameters. The NSS takes into account the unique station distribution, frequency band, and signal-to-noise ratio of a given event scenario. The NSS compares both a hypothetical pure source (for example an explosion or an earthquake) and the actual data with several thousand sets of synthetic data from a uniform distribution of all possible sources. The comparison with a hypothetical pure source provides the theoretically best-constrained source-type region for a given set of stations, and with it one can determine whether further analysis with the data is warranted. We apply the NSS to a NTS nuclear explosion, and earthquake, as well as the 2006 North Korean explosion, and a nearby earthquake. The results show that explosions and earthquakes are distinguishable, however the solution space depends strongly on the station coverage. Finally, on May 25, 2009 a second North Korean test took place. Our preliminary results show that the explosive nature of the event may be determined using the regional distance moment tensor method. Results indicate that

  20. Electromagnetic cloaking of conducting cylinders using homogeneous and isotropic media

    NASA Astrophysics Data System (ADS)

    Gana, Usman M.

    2017-08-01

    Scattering characteristics of cloaked conducting cylinders is investigated. An attempt is made in replacing the difficult anisotropic material properties required of a cloack with simple ones. The anisotropic material parameters of the cylindrical cloaking shell was approximated by homogeneous, isotropic layers and effective medium approximation was employed in determining the parameters of the layers. Scattering of both polarized (TM & TE) and un-polarized plane electromagnetic waves was studied in the far field. Scattering cross sections of different kinds of cylindrical cloaks are presented and the merits of their structures outlined. Significant reductions in scattering cross sections, compared with bare cylinders, were realized by some of the structures studied.

  1. Anisotropic light emissions in luminescent solar concentrators-isotropic systems.

    PubMed

    Verbunt, Paul P C; Sánchez-Somolinos, Carlos; Broer, Dirk J; Debije, Michael G

    2013-05-06

    In this paper we develop a model to describe the emission profile from randomly oriented dichroic dye molecules in a luminescent solar concentrator (LSC) waveguide as a function of incoming light direction. The resulting emission is non-isotropic, in contradiction to what is used in almost all previous simulations on the performance of LSCs, and helps explain the large surface losses measured in these devices. To achieve more precise LSC performance simulations we suggest that the dichroic nature of the dyes must be included in the future modeling efforts.

  2. Observation of transverse patterns in an isotropic microchip laser

    SciTech Connect

    Chen, Y.F.; Lan, Y.P.

    2003-04-01

    An isotropic microchip laser is used to study the characteristics of high-order wave functions in a two-dimensional (2D) quantum harmonic oscillator based on the identical functional forms. With a doughnut pump profile, the spontaneous transverse modes are found to, generally, be elliptic and hyperbolic transverse modes. Theoretical analyses reveal that the elliptic transverse modes are analogous to the coherent states of a 2D harmonic oscillator; the formation of hyperbolic transverse modes is a spontaneous mode locking between two identical Hermite-Gaussian modes.

  3. Cluster Monte Carlo simulations of the nematic-isotropic transition

    NASA Astrophysics Data System (ADS)

    Priezjev, N. V.; Pelcovits, Robert A.

    2001-06-01

    We report the results of simulations of the three-dimensional Lebwohl-Lasher model of the nematic-isotropic transition using a single cluster Monte Carlo algorithm. The algorithm, first introduced by Kunz and Zumbach to study two-dimensional nematics, is a modification of the Wolff algorithm for spin systems, and greatly reduces critical slowing down. We calculate the free energy in the neighborhood of the transition for systems up to linear size 70. We find a double well structure with a barrier that grows with increasing system size. We thus obtain an upper estimate of the value of the transition temperature in the thermodynamic limit.

  4. On Transport Properties of Isotropic Quasiperiodic XY Spin Chains

    NASA Astrophysics Data System (ADS)

    Kachkovskiy, Ilya

    2016-07-01

    We consider isotropic XY spin chains whose magnetic potentials are quasiperiodic and the effective one-particle Hamiltonians have absolutely continuous spectra. For a wide class of such XY spin chains, we obtain lower bounds on their Lieb-Robinson velocities {mathfrak{v}} in terms of group velocities of their effective Hamiltonians: mathfrak{v}{≥slant} {mathop {ess sup}_{[0,1]}}2/πdE/dN. where E is considered as a function of the integrated density of states.

  5. Reflection of electromagnetic waves at a biaxial-isotropic interface

    NASA Technical Reports Server (NTRS)

    Njoku, E. G.

    1983-01-01

    The reflection of electromagnetic waves at a plane boundary between isotropic and biaxial media has been investigated using the kDB approach. The general case has been considered in which the principal dielectric axes of the biaxial medium are oriented at an arbitrary angle to the normal of the plane boundary. In general, two characteristic waves propagate in the biaxial medium, leading to coupling of vertical and horizontal polarizations in the reflected waves. Some special cases are illustrated. The results have applications to problems in remote sensing and integrated optics.

  6. Neutral shielding and cloaking of magnetic fields using isotropic media

    NASA Astrophysics Data System (ADS)

    Kroon, Lars; Järrendahl, Kenneth

    2017-01-01

    A method for designing magnetic shields that do not perturb applied multipole fields in the static regime is developed. Cylindrical core-shell structures with two layers characterized by homogeneous isotropic permeabilities are found to support neutral shielding of multipole fields and unique cloaking solutions of arbitrary multipole order. An extra degree of freedom is provided by every layer added to the structure which may be exploited with an effective design formula for cloaking of additional field terms. The theory is illustrated with numerical simulations.

  7. Silicone elastomers capable of large isotropic dimensional change

    DOEpatents

    Lewicki, James; Worsley, Marcus A.

    2017-07-18

    Described herein is a highly effective route towards the controlled and isotropic reduction in size-scale, of complex 3D structures using silicone network polymer chemistry. In particular, a class of silicone structures were developed that once patterned and cured can `shrink` micron scale additive manufactured and lithographically patterned structures by as much as 1 order of magnitude while preserving the dimensions and integrity of these parts. This class of silicone materials is compatible with existing additive manufacture and soft lithographic fabrication processes and will allow access to a hitherto unobtainable dimensionality of fabrication.

  8. P-wave seismic imaging through dipping transversely isotropic media

    NASA Astrophysics Data System (ADS)

    Leslie, Jennifer Meryl

    2000-10-01

    P-wave seismic anisotropy is of growing concern to the exploration industry. The transmissional effects through dipping anisotropic strata, such as shales, cause substantial depth and lateral positioning errors when imaging subsurface targets. Using anisotropic physical models the limitations of conventional isotropic migration routines were determined to be significant. In addition, these models were used to validate both anisotropic depth migration routines and an anisotropic, numerical raytracer. In order to include anisotropy in these processes, one must be able to quantify the anisotropy using two parameters, epsilon and delta. These parameters were determined from headwave velocity measurements on anisotropic strata, in the parallel-, perpendicular- and 45°-to-bedding directions. This new method was developed using refraction seismic techniques to measure the necessary velocities in the Wapiabi Formation shales, the Brazeau Group interbedded sandstones and shales, the Cardium Formation sandstones and the Palliser Formation limestones. The Wapiabi Formation and Brazeau Group rocks were determined to be anisotropic with epsilon = 0.23 +/- 0.05, delta = --0.05 +/- 0.07 and epsilon = 0.11 +/- 0.04, delta = 0.42 +/- 0.06, respectively. The sandstones and limestones of the Cardium and Palliser formations were both determined to be isotropic, in these studies. In a complementary experiment, a new procedure using vertical seismic profiling (VSP) techniques was developed to measure the anisotropic headwave velocities. Using a multi-offset source configuration on an appropriately dipping, uniform panel of anisotropic strata, the required velocities were measured directly and modelled. In this study, the geologic model was modelled using an anisotropic raytracer, developed for the experiment. The anisotropy was successfully modelled using anisotropic parameters based on the refraction seismic results. With a firm idea of the anisotropic parameters from the

  9. A non-isotropic multiple-scale turbulence model

    NASA Technical Reports Server (NTRS)

    Chen, C. P.

    1990-01-01

    A newly developed non-isotropic multiple scale turbulence model (MS/ASM) is described for complex flow calculations. This model focuses on the direct modeling of Reynolds stresses and utilizes split-spectrum concepts for modeling multiple scale effects in turbulence. Validation studies on free shear flows, rotating flows and recirculating flows show that the current model perform significantly better than the single scale k-epsilon model. The present model is relatively inexpensive in terms of CPU time which makes it suitable for broad engineering flow applications.

  10. Computation of large-scale statistics in decaying isotropic turbulence

    NASA Technical Reports Server (NTRS)

    Chasnov, Jeffrey R.

    1993-01-01

    We have performed large-eddy simulations of decaying isotropic turbulence to test the prediction of self-similar decay of the energy spectrum and to compute the decay exponents of the kinetic energy. In general, good agreement between the simulation results and the assumption of self-similarity were obtained. However, the statistics of the simulations were insufficient to compute the value of gamma which corrects the decay exponent when the spectrum follows a k(exp 4) wave number behavior near k = 0. To obtain good statistics, it was found necessary to average over a large ensemble of turbulent flows.

  11. Rotation of slender swimmers in isotropic-drag media

    NASA Astrophysics Data System (ADS)

    Koens, Lyndon; Lauga, Eric

    2016-04-01

    The drag anisotropy of slender filaments is a critical physical property allowing swimming in low-Reynolds number flows, and without it linear translation is impossible. Here we show that, in contrast, net rotation can occur under isotropic drag. We first demonstrate this result formally by considering the consequences of the force- and torque-free conditions on swimming bodies and we then illustrate it with two examples (a simple swimmers made of three rods and a model bacterium with two helical flagellar filaments). Our results highlight the different role of hydrodynamic forces in generating translational versus rotational propulsion.

  12. Cluster Monte Carlo simulations of the nematic-isotropic transition.

    PubMed

    Priezjev, N V; Pelcovits, R A

    2001-06-01

    We report the results of simulations of the three-dimensional Lebwohl-Lasher model of the nematic-isotropic transition using a single cluster Monte Carlo algorithm. The algorithm, first introduced by Kunz and Zumbach to study two-dimensional nematics, is a modification of the Wolff algorithm for spin systems, and greatly reduces critical slowing down. We calculate the free energy in the neighborhood of the transition for systems up to linear size 70. We find a double well structure with a barrier that grows with increasing system size. We thus obtain an upper estimate of the value of the transition temperature in the thermodynamic limit.

  13. Negative charge trapping effects in Al{sub 2}O{sub 3} films grown by atomic layer deposition onto thermally oxidized 4H-SiC

    SciTech Connect

    Schilirò, Emanuela; Lo Nigro, Raffaella; Fiorenza, Patrick; Roccaforte, Fabrizio

    2016-07-15

    This letter reports on the negative charge trapping in Al{sub 2}O{sub 3} thin films grown by atomic layer deposition onto oxidized silicon carbide (4H-SiC). The films exhibited a permittivity of 8.4, a breakdown field of 9.2 MV/cm and small hysteresis under moderate bias cycles. However, severe electron trapping inside the Al{sub 2}O{sub 3} film (1 × 10{sup 12} cm{sup −2}) occurs upon high positive bias stress (>10 V). Capacitance-voltage measurements at different temperatures and stress conditions have been used to determine an activation energy of 0.1 eV. The results provide indications on the possible nature of the trapping defects and, hence, on the strategies to improve this technology for 4H-SiC devices.

  14. Thermal expansion and phase transitions of α-AlF{sub 3}

    SciTech Connect

    Morelock, Cody R.; Hancock, Justin C.; Wilkinson, Angus P.

    2014-11-15

    ReO{sub 3}-type materials are of interest for their potential low or negative thermal expansion. Many metal trifluorides MF{sub 3} adopt the cubic form of this structure at elevated temperatures, which rhombohedrally distorts upon cooling. The rhombohedral form displays strong positive volume thermal expansion, but cubic MF{sub 3} display much lower and sometimes negative thermal expansion. The expansion behavior of α-AlF{sub 3} was characterized via synchrotron powder diffraction between 323 and 1177 K. α-AlF{sub 3} is rhombohedral at ambient conditions and displays strongly anisotropic thermal expansion. The volume coefficient of thermal expansion (CTE), α{sub V}, at 500 K is ∼86 ppm K{sup −1}, but the linear CTE along the c-axis, α{sub c}, is close to zero. α-AlF{sub 3} becomes cubic on heating to ∼713 K and continues to show positive thermal expansion above the phase transition (α{sub V}(900 K) ∼25 ppm K{sup −1}). - Graphical abstract: α-AlF{sub 3} has a rhombohedrally distorted ReO{sub 3}-type structure at ambient conditions and displays strongly positive volume thermal expansion that is highly anisotropic; the material becomes cubic on heating above ∼713 K and continues to show positive thermal expansion. - Highlights: • ReO{sub 3}-type α-AlF{sub 3} displays strongly anisotropic thermal expansion below 713 K. • α-AlF{sub 3} is cubic above 713 K and maintains positive (isotropic) thermal expansion. • The volume CTE changes from ∼86 to ∼25 ppm K{sup −1} on heating from 500 to 900 K. • The PTE of cubic α-AlF{sub 3} may be due to the presence of local octahedral tilts.

  15. Distinguishing Bicontinuous Lipid Cubic Phases from Isotropic Membrane Morphologies Using 31P Solid-State NMR Spectroscopy

    PubMed Central

    Yang, Yu; Yao, Hongwei

    2015-01-01

    Nonlamellar lipid membranes are frequently induced by proteins that fuse, bend, and cut membranes. Understanding the mechanism of action of these proteins requires the elucidation of the membrane morphologies that they induce. While hexagonal phases and lamellar phases are readily identified by their characteristic solid-state NMR lineshapes, bicontinuous lipid cubic phases are more difficult to discern, since the static NMR spectra of cubic-phase lipids consist of an isotropic 31P or 2H peak, indistinguishable from the spectra of isotropic membrane morphologies such as micelles and small vesicles. To date, small-angle X-ray scattering is the only method to identify bicontinuous lipid cubic phases. To explore unique NMR signatures of lipid cubic phases, we first describe the orientation distribution of lipid molecules in cubic phases and simulate the static 31P chemical shift lineshapes of oriented cubic-phase membranes in the limit of slow lateral diffusion. We then show that 31P T2 relaxation times differ significantly between isotropic micelles and cubic-phase membranes: the latter exhibit two-orders-of magnitude shorter T2 relaxation times. These differences are explained by the different timescales of lipid lateral diffusion on the cubic-phase surface versus the timescales of micelle tumbling. Using this relaxation NMR approach, we investigated a DOPE membrane containing the transmembrane domain (TMD) of a viral fusion protein. The static 31P spectrum of DOPE shows an isotropic peak, whose T2 relaxation times correspond to that of a cubic phase. Thus, the viral fusion protein TMD induces negative Gaussian curvature, which is an intrinsic characteristic of cubic phases, to the DOPE membrane. This curvature induction has important implications to the mechanism of virus-cell fusion. This study establishes a simple NMR diagnostic probe of lipid cubic phases, which is expected to be useful for studying many protein-induced membrane remodeling phenomena in biology

  16. Triple quantum filtered spectroscopy of homonuclear three spin-1/2 systems employing isotropic mixing

    NASA Astrophysics Data System (ADS)

    Kirwai, Amey; Chandrakumar, N.

    2016-08-01

    We report the design and performance evaluation of novel pulse sequences for triple quantum filtered spectroscopy in homonuclear three spin-1/2 systems, employing isotropic mixing (IM) to excite triple quantum coherence (TQC). Our approach involves the generation of combination single quantum coherences (cSQC) from antisymmetric longitudinal or transverse magnetization components employing isotropic mixing (IM). cSQC's are then converted to TQC by a selective 180° pulse on one of the spins. As IM ideally causes magnetization to evolve under the influence of the spin coupling Hamiltonian alone, TQC is generated at a faster rate compared to sequences involving free precession. This is expected to be significant when the spins have large relaxation rates. Our approach is demonstrated experimentally by TQC filtered 1D spectroscopy on a 1H AX2 system (propargyl bromide in the presence of a paramagnetic additive), as well as a 31P linear AMX system (ATP in agar gel). The performance of the IM-based sequences for TQC excitation are compared against the standard three pulse sequence (Ernst et al., 1987) and an AX2 spin pattern recognition sequence (Levitt and Ernst, 1983). The latter reaches the unitary bound on TQC preparation efficiency starting from thermal equilibrium in AX2 systems, not considering relaxation. It is shown that in systems where spins relax rapidly, the new IM-based sequences indeed perform significantly better than the above two known TQC excitation sequences, the sensitivity enhancement being especially pronounced in the case of the proton system investigated. An overview of the differences in relaxation behavior is presented for the different approaches. Applications are envisaged to Overhauser DNP experiments and to in vivo NMR.

  17. Thermal defoliation

    USDA-ARS?s Scientific Manuscript database

    The negative perception some consumers hold regarding agricultural chemicals has resulted in an increased demand for organic foods and fibers, and in increasing political pressure for the regulation of agricultural production practices. This has revived interest in thermal defoliation of cotton and ...

  18. Multiproperty empirical isotropic interatomic potentials for CH4-inert gas mixtures.

    PubMed

    El-Kader, M S A

    2013-11-01

    An approximate empirical isotropic interatomic potentials for CH4-inert gas mixtures are developed by simultaneously fitting the Exponential-Spline-Morse-Spline-van der Waals (ESMSV) potential form to viscosity, thermal conductivity, thermal diffusion factors, diffusion coefficient, interaction second pressure virial coefficient and scattering cross-section data. Quantum mechanical lineshapes of collision-induced absorption (CIA) at different temperatures for CH4-He and at T = 87 K for CH4-Ar are computed using theoretical values for overlap, octopole and hexadecapole mechanisms and interaction potential as input. Also, the quantum mechanical lineshapes of collision-induced light scattering (CILS) for the mixtures CH4-Ar and CH4-Xe at room temperature are calculated. The spectra of scattering consist essentially of an intense, purely translational component which includes scattering due to free pairs and bound dimers, and the other is due to the induced rotational scattering. These spectra have been interpreted by means of pair-polarizability terms, which arise from a long-range dipole-induced-dipole (DID) with small dispersion corrections and a short-range interaction mechanism involving higher-order dipole-quadrupole A and dipole-octopole E multipole polarizabilities. Good agreement between computed and experimental lineshapes of both absorption and scattering is obtained when the models of potential, interaction-induced dipole and polarizability components are used.

  19. Ti-doped isotropic graphite: A promising armour material for plasma-facing components

    NASA Astrophysics Data System (ADS)

    García-Rosales, C.; López-Galilea, I.; Ordás, N.; Adelhelm, C.; Balden, M.; Pintsuk, G.; Grattarola, M.; Gualco, C.

    2009-04-01

    Finely dispersed Ti-doped isotropic graphites with 4 at.% Ti have been manufactured using synthetic mesophase pitch 'AR' as raw material. These new materials show a thermal conductivity at room temperature of ˜200 W/mK and flexural strength close to 100 MPa. Measurement of the total erosion yield by deuterium bombardment at ion energies and sample temperatures for which pure carbon shows maximum values, resulted in a reduction of at least a factor of 4, mainly due to dopant enrichment at the surface caused by preferential erosion of carbon. In addition, ITER relevant thermal shock loads were applied with an energetic electron beam at the JUDITH facility. The results demonstrated a significantly improved performance of Ti-doped graphite compared to pure graphite. Finally, Ti-doped graphite was successfully brazed to a CuCrZr block using a Mo interlayer. These results let assume that Ti-doped graphite can be a promising armour material for divertor plasma-facing components.

  20. Spin-controlled negative magnetoresistance resulting from exchange interactions

    NASA Astrophysics Data System (ADS)

    Agrinskaya, N. V.; Kozub, V. I.; Mikhailin, N. Yu.; Shamshur, D. V.

    2017-04-01

    We studied conductivity of AlGaAs-GaAs quantum well structures (where centers of the wells were doped by Be) at temperatures higher than 4 K in magnetic fields up 10 T. Throughout all the temperature region considered the conductivity demonstrated activated behavior. At moderate magnetic fields 0.1 T < H < 1 T, we observed negative isotropic magnetoresistance, which was linear in magnetic field while for magnetic field normal with respect to the plane of the wells the magnetoresistance was positive at H > 2T. To the best of our knowledge, it was the first observation of linear negative magnetoresistance, which would be isotropic with respect to the direction of magnetic field. While the isotropic character of magnetoresistance apparently evidences role of spins, the existing theoretical considerations concerning spin effects in conductance fail to explain our experimental results. We believe that such a behavior can be attributed to spin effects supported by exchange interactions between localized states.

  1. Time delay anisotropy in photoelectron emission from isotropic helium

    NASA Astrophysics Data System (ADS)

    Heuser, S.; Jiménez-Gálan, Á.; Cirelli, C.; Sabbar, M.; Boge, R.; Lucchini, M.; Gallmann, L.; Ivanov, I.; Kheifets, A.; Dahlström, J. M.; Lindroth, E.; Argenti, L.; Martín, F.; Keller, U.

    2015-09-01

    Time delays of electrons emitted from an isotropic initial state and leaving behind an isotropic ion are assumed to be angle-independent. Using an interferometric method involving XUV attosecond pulse trains and an IR probe field in combination with a detection scheme, which allows for full 3D momentum resolution, we show that measured time delays between electrons liberated from the $1s^2$ spherically symmetric ground state of helium depend on the emission direction of the electrons relative to the linear polarization axis of the ionizing XUV light. Such time-delay anisotropy, for which we measure values as large as 60 attoseconds, is caused by the interplay between final quantum states with different symmetry and arises naturally whenever the photoionization process involves the exchange of more than one photon in the field of the parent-ion. With the support of accurate theoretical models, the angular dependence of the time delay is attributed to small phase differences that are induced in the laser-driven continuum transitions to the final states. Since most measurement techniques tracing attosecond electron dynamics involve the exchange of at least two photons, this is a general, significant, and initially unexpected effect that must be taken into account in all such photoionization measurements.

  2. The decay of isotropic turbulence in a rapidly rotating frame

    NASA Technical Reports Server (NTRS)

    Speziale, C. G.; Mansour, N. N.; Rogallo, R. S.

    1987-01-01

    A direct numerical simulation of the decay of initially isotropic turbulence in a rapidly rotating frame was conducted. This 128 x 128 x 128 simulation was completed for a Reynolds number Re sub lambda = 15.3 and a Rossby number Ro sub lambda = 0.07 based on the initial turbulent kinetic energy and Taylor microscale. The numerical results indicate that the turbulence remains essentially isotropic during the major part of the decay (i.e., beyond the point where the turbulent kinetic energy has decayed to less than 10 percent of its initial value). The rapid rotation has the primary effect of shutting off the energy transfer so that the turbulence dissipation (and hence the rate of decay of the turbulent kinetic energy) is substantially reduced. Consequently, the anisotropy tensor remains essentially unchanged while the energy spectrum undergoes a nearly linear viscous decay (the same results that are predicted by Rapid Distortion Theory which is only formally valid for much shorter elapsed times. Surprisingly, no Taylor-Proudman reorganization of the flow to a two-dimensional state is observed. The implications that these results have on turbulence modeling are discussed briefly along with prospective future research.

  3. Effective Hydraulic Conductivity of Unsaturated Isotropic Soils with Multidimensional Heterogeneity

    SciTech Connect

    Zhang, Z. F.

    2010-05-01

    Accurate simulation and prediction of flow and transport of solutes in a heterogeneous vadose zone requires the appropriate hydraulic properties corresponding to the spatial scale of interest. Upscaling techniques provide effective properties to describe the vadose zone system’s behavior with information collected at a much smaller scale. Realizing that a saturated system can be considered as a special state of the unsaturated system, the methodologies for upscaling the saturated hydraulic conductivity of heterogeneous isotropic porous media under steady-state flow conditions can be extended for upscaling the unsaturated hydraulic conductivity. An advantage of this approach is that the extended upscaling methods are independent of the choice of hydraulic function models. The Matheron, small-perturbation, and self-consistent upscaling methods were used to demonstrate the approach. The extended upscaling methods were tested using multi-step numerical experiments of gravity-induced flow into Miller-similar synthetic soils with different levels of heterogeneity. Results show that, under 3-D flow conditions in isotropic soils, the self-consistent method applies to all the soil heterogeneity conditions considered while the Matheron and small-perturbation methods are acceptable for soil of relatively low variability.

  4. Large Deformation Constitutive Laws for Isotropic Thermoelastic Materials

    SciTech Connect

    Plohr, Bradley J.; Plohr, Jeeyeon N.

    2012-07-25

    We examine the approximations made in using Hooke's law as a constitutive relation for an isotropic thermoelastic material subjected to large deformation by calculating the stress evolution equation from the free energy. For a general thermoelastic material, we employ the volume-preserving part of the deformation gradient to facilitate volumetric/shear strain decompositions of the free energy, its first derivatives (the Cauchy stress and entropy), and its second derivatives (the specific heat, Grueneisen tensor, and elasticity tensor). Specializing to isotropic materials, we calculate these constitutive quantities more explicitly. For deformations with limited shear strain, but possibly large changes in volume, we show that the differential equations for the stress components involve new terms in addition to the traditional Hooke's law terms. These new terms are of the same order in the shear strain as the objective derivative terms needed for frame indifference; unless the latter terms are negligible, the former cannot be neglected. We also demonstrate that accounting for the new terms requires that the deformation gradient be included as a field variable

  5. An Areal Isotropic Spline Filter for Surface Metrology

    PubMed Central

    Zhang, Hao; Tong, Mingsi; Chu, Wei

    2015-01-01

    This paper deals with the application of the spline filter as an areal filter for surface metrology. A profile (2D) filter is often applied in orthogonal directions to yield an areal filter for a three-dimensional (3D) measurement. Unlike the Gaussian filter, the spline filter presents an anisotropic characteristic when used as an areal filter. This disadvantage hampers the wide application of spline filters for evaluation and analysis of areal surface topography. An approximation method is proposed in this paper to overcome the problem. In this method, a profile high-order spline filter serial is constructed to approximate the filtering characteristic of the Gaussian filter. Then an areal filter with isotropic characteristic is composed by implementing the profile spline filter in the orthogonal directions. It is demonstrated that the constructed areal filter has two important features for surface metrology: an isotropic amplitude characteristic and no end effects. Some examples of applying this method on simulated and practical surfaces are analyzed. PMID:26958439

  6. An Areal Isotropic Spline Filter for Surface Metrology.

    PubMed

    Zhang, Hao; Tong, Mingsi; Chu, Wei

    2015-01-01

    This paper deals with the application of the spline filter as an areal filter for surface metrology. A profile (2D) filter is often applied in orthogonal directions to yield an areal filter for a three-dimensional (3D) measurement. Unlike the Gaussian filter, the spline filter presents an anisotropic characteristic when used as an areal filter. This disadvantage hampers the wide application of spline filters for evaluation and analysis of areal surface topography. An approximation method is proposed in this paper to overcome the problem. In this method, a profile high-order spline filter serial is constructed to approximate the filtering characteristic of the Gaussian filter. Then an areal filter with isotropic characteristic is composed by implementing the profile spline filter in the orthogonal directions. It is demonstrated that the constructed areal filter has two important features for surface metrology: an isotropic amplitude characteristic and no end effects. Some examples of applying this method on simulated and practical surfaces are analyzed.

  7. Computation of the sound generated by isotropic turbulence

    NASA Technical Reports Server (NTRS)

    Sarkar, S.; Hussaini, M. Y.

    1993-01-01

    The acoustic radiation from isotropic turbulence is computed numerically. A hybrid direct numerical simulation approach which combines direct numerical simulation (DNS) of the turbulent flow with the Lighthill acoustic analogy is utilized. It is demonstrated that the hybrid DNS method is a feasible approach to the computation of sound generated by turbulent flows. The acoustic efficiency in the simulation of isotropic turbulence appears to be substantially less than that in subsonic jet experiments. The dominant frequency of the computed acoustic pressure is found to be somewhat larger than the dominant frequency of the energy-containing scales of motion. The acoustic power in the simulations is proportional to epsilon (M(sub t))(exp 5) where epsilon is the turbulent dissipation rate and M(sub t) is the turbulent Mach number. This is in agreement with the analytical result of Proudman (1952), but the constant of proportionality is smaller than the analytical result. Two different methods of computing the acoustic power from the DNS data bases yielded consistent results.

  8. Even harmonic generation in isotropic media of dissociating homonuclear molecules

    PubMed Central

    Silva, R. E. F.; Rivière, P.; Morales, F.; Smirnova, O.; Ivanov, M.; Martín, F.

    2016-01-01

    Isotropic gases irradiated by long pulses of intense IR light can generate very high harmonics of the incident field. It is generally accepted that, due to the symmetry of the generating medium, be it an atomic or an isotropic molecular gas, only odd harmonics of the driving field can be produced. Here we show how the interplay of electronic and nuclear dynamics can lead to a marked breakdown of this standard picture: a substantial part of the harmonic spectrum can consist of even rather than odd harmonics. We demonstrate the effect using ab-initio solutions of the time-dependent Schrödinger equation for and its isotopes in full dimensionality. By means of a simple analytical model, we identify its physical origin, which is the appearance of a permanent dipole moment in dissociating homonuclear molecules, caused by light-induced localization of the electric charge during dissociation. The effect arises for sufficiently long laser pulses and the region of the spectrum where even harmonics are produced is controlled by pulse duration. Our results (i) show how the interplay of femtosecond nuclear and attosecond electronic dynamics, which affects the charge flow inside the dissociating molecule, is reflected in the nonlinear response, and (ii) force one to augment standard selection rules found in nonlinear optics textbooks by considering light-induced modifications of the medium during the generation process. PMID:27596609

  9. Isotropic-Nematic Phase Transitions in Gravitational Systems

    NASA Astrophysics Data System (ADS)

    Roupas, Zacharias; Kocsis, Bence; Tremaine, Scott

    2017-06-01

    We examine dense self-gravitating stellar systems dominated by a central potential, such as nuclear star clusters hosting a central supermassive black hole. Different dynamical properties of these systems evolve on vastly different timescales. In particular, the orbital-plane orientations are typically driven into internal thermodynamic equilibrium by vector resonant relaxation before the orbital eccentricities or semimajor axes relax. We show that the statistical mechanics of such systems exhibit a striking resemblance to liquid crystals, with analogous ordered-nematic and disordered-isotropic phases. The ordered phase consists of bodies orbiting in a disk in both directions, with the disk thickness depending on temperature, while the disordered phase corresponds to a nearly isotropic distribution of the orbit normals. We show that below a critical value of the total angular momentum, the system undergoes a first-order phase transition between the ordered and disordered phases. At a critical point, the phase transition becomes second order, while for higher angular momenta there is a smooth crossover. We also find metastable equilibria containing two identical disks with mutual inclinations between 90° and 180°.

  10. Fluctuational shift of nematic-isotropic phase transition temperature

    NASA Astrophysics Data System (ADS)

    Kats, E. I.

    2017-02-01

    In this work we discuss a macroscopic counterpart to the microscopic mechanism of the straightening dimer mesogens conformations, proposed recently by S.M. Saliti, M.G.Tamba, S.N. Sprunt, C.Welch, G.H.Mehl, A. Jakli, J.T. Gleeson (Phys. Rev. Lett. 116, 217801 (2016)) to explain their experimental observation of the unprecedentedly large shift of the nematic-isotropic transition temperature. Our interpretation is based on singular longitudinal fluctuations of the nematic order parameter. Since these fluctuations are governed by the Goldstone director fluctuations they exist only in the nematic state. External magnetic field suppresses the singular longitudinal fluctuations of the order parameter (similarly as it is the case for the transverse director fluctuations, although with a different scaling over the magnetic field). The reduction of the fluctuations changes the equilibrium value of the modulus of the order parameter in the nematic state. Therefore it leads to additional (with respect to the mean field contribution) fluctuational shift of the nematic-isotropic transition temperature. Our mechanism works for any nematic liquid crystals, however the magnitude of the fluctuational shift increases with decrease of the Frank elastic moduli. Since some of these moduli supposed to be anomalously small for so-called bent-core or dimer nematic liquid crystals, just these liquid crystals are promising candidates for the observation of the predicted fluctuational shift of the phase transition temperature.

  11. Interacting Generalized Ghost Dark Energy in Non-isotropic Background

    NASA Astrophysics Data System (ADS)

    Barati, F.

    2016-04-01

    In this work, the generalized Quantum Chromodynamics (QCD) ghost model of dark energy in the framework of Einstein gravity is investigated. At first, the non-interacting generalized ghost dark energy in a Bianchi type I (BI) background is discussed. Then the equation of state parameter, ω D = p D / ρ D , the deceleration parameter, and the evolution equation of the generalized ghost dark energy are obtained. It was found that, in this case, ω D cannot cross the phantom line (ω D >-1) and eventually the universe approaches a de-Sitter phase of expansion (ω D →-1). Then, this investigation was extended to the interacting ghost dark energy in a non-isotropic universe. It was found that the equation of state parameter of the interacting generalized ghost dark energy can cross the phantom line (ω D <-1) provided the parameters of the model are chosen suitably. It was considered a specific model which permits the standard continuity equation in this theory. Besides ΩΛ and Ω m in standard Einstein cosmology, another density parameter, Ω σ , is expected by the anisotropy. The anisotropy of the universe decreases and the universe transits to an isotropic flat FRW universe accommodating the present acceleration.

  12. Direction of unsaturated flow in a homogeneous and isotropic hillslope

    USGS Publications Warehouse

    Lu, Ning; Kaya, Basak Sener; Godt, Jonathan W.

    2011-01-01

    The distribution of soil moisture in a homogeneous and isotropic hillslope is a transient, variably saturated physical process controlled by rainfall characteristics, hillslope geometry, and the hydrological properties of the hillslope materials. The major driving mechanisms for moisture movement are gravity and gradients in matric potential. The latter is solely controlled by gradients of moisture content. In a homogeneous and isotropic saturated hillslope, absent a gradient in moisture content and under the driving force of gravity with a constant pressure boundary at the slope surface, flow is always in the lateral downslope direction, under either transient or steady state conditions. However, under variably saturated conditions, both gravity and moisture content gradients drive fluid motion, leading to complex flow patterns. In general, the flow field near the ground surface is variably saturated and transient, and the direction of flow could be laterally downslope, laterally upslope, or vertically downward. Previous work has suggested that prevailing rainfall conditions are sufficient to completely control these flow regimes. This work, however, shows that under time-varying rainfall conditions, vertical, downslope, and upslope lateral flow can concurrently occur at different depths and locations within the hillslope. More importantly, we show that the state of wetting or drying in a hillslope defines the temporal and spatial regimes of flow and when and where laterally downslope and/or laterally upslope flow occurs.

  13. Direction of unsaturated flow in a homogeneous and isotropic hillslope

    USGS Publications Warehouse

    Lu, N.; Kaya, B.S.; Godt, J.W.

    2011-01-01

    The distribution of soil moisture in a homogeneous and isotropic hillslope is a transient, variably saturated physical process controlled by rainfall characteristics, hillslope geometry, and the hydrological properties of the hillslope materials. The major driving mechanisms for moisture movement are gravity and gradients in matric potential. The latter is solely controlled by gradients of moisture content. In a homogeneous and isotropic saturated hillslope, absent a gradient in moisture content and under the driving force of gravity with a constant pressure boundary at the slope surface, flow is always in the lateral downslope direction, under either transient or steady state conditions. However, under variably saturated conditions, both gravity and moisture content gradients drive fluid motion, leading to complex flow patterns. In general, the flow field near the ground surface is variably saturated and transient, and the direction of flow could be laterally downslope, laterally upslope, or vertically downward. Previous work has suggested that prevailing rainfall conditions are sufficient to completely control these flow regimes. This work, however, shows that under time-varying rainfall conditions, vertical, downslope, and upslope lateral flow can concurrently occur at different depths and locations within the hillslope. More importantly, we show that the state of wetting or drying in a hillslope defines the temporal and spatial regimes of flow and when and where laterally downslope and/or laterally upslope flow occurs. Copyright 2011 by the American Geophysical Union.

  14. Interplay of directional and isotropic interactions in self-assembly

    NASA Astrophysics Data System (ADS)

    Audus, Debra; Starr, Francis; Douglas, Jack

    Patchy particle models, composed of hard spheres with decorated with attractive patches, have been introduced as models of micron-sized particles with anisotropic interactions, as well as solutions of globular proteins. Here, we extend the canonical model of the patchy particles to include a short-ranged isotropic interaction in order to probe of the coupling of the directional and isotropic interactions on the self-assembly process. In particular, we evaluate basic properties characterizing self-assembly including average cluster mass and the fraction of particles in the clustered state using both Monte Carlo simulation and analytic Wertheim theory. This combination allows for validation of the theory and for insight into analyzing experimental data. We also find that Flory-Stockmayer theory describes the cluster size distribution data found in our simulations remarkably well, despite its erroneous mass-scaling exponent. This result, coupled with Wertheim theory, predicts both a master curve for the average cluster mass and a method to parameterize patchy particle models using experimental data.

  15. Imaging tilted transversely isotropic media with a generalised screen propagator

    NASA Astrophysics Data System (ADS)

    Shin, Sung-Il; Byun, Joongmoo; Seol, Soon Jee

    2015-01-01

    One-way wave equation migration is computationally efficient compared with reverse time migration, and it provides a better subsurface image than ray-based migration algorithms when imaging complex structures. Among many one-way wave-based migration algorithms, we adopted the generalised screen propagator (GSP) to build the migration algorithm. When the wavefield propagates through the large velocity variation in lateral or steeply dipping structures, GSP increases the accuracy of the wavefield in wide angle by adopting higher-order terms induced from expansion of the vertical slowness in Taylor series with each perturbation term. To apply the migration algorithm to a more realistic geological structure, we considered tilted transversely isotropic (TTI) media. The new GSP, which contains the tilting angle as a symmetric axis of the anisotropic media, was derived by modifying the GSP designed for vertical transversely isotropic (VTI) media. To verify the developed TTI-GSP, we analysed the accuracy of wave propagation, especially for the new perturbation parameters and the tilting angle; the results clearly showed that the perturbation term of the tilting angle in TTI media has considerable effects on proper propagation. In addition, through numerical tests, we demonstrated that the developed TTI-GS migration algorithm could successfully image a steeply dipping salt flank with high velocity variation around anisotropic layers.

  16. Lattice Boltzmann algorithm to simulate isotropic-nematic emulsions.

    PubMed

    Sulaiman, N; Marenduzzo, D; Yeomans, J M

    2006-10-01

    We present lattice Boltzmann simulations of the dynamical equations of motion of a drop of isotropic fluid in a nematic liquid crystal solvent, both in the absence and in the presence of an electric field. The coupled equations we solve are the Beris-Edward equations for the dynamics of the tensor order parameter describing the nematic solvent, the Cahn-Hilliard equation for the concentration evolution, and the Navier-Stokes equations for the determination of the instantaneous velocity field. We implement the lattice Boltzmann algorithm to ensure that spurious velocities are close to zero in equilibrium. We first study the effects of the liquid crystal elastic constant, K, anchoring strength, W, and surface tension, sigma, on the shape of the droplet and on the director field texture in equilibrium. We then consider how the drop behaves as the director field is switched by an applied electric field. We also show that the algorithm allows us to follow the motion of a drop of isotropic fluid placed in a liquid crystal cell with a tilted director field at the boundaries.

  17. PDF Modeling of Evaporating Droplets in Isotropic Turbulence.

    NASA Astrophysics Data System (ADS)

    Mashayek, F.; Pandya, R. V. R.

    2000-11-01

    We use a statistical closure scheme of Van Kampen [1] to obtain an approximate equation for probability density function p(τ_d, t) to predict the time (t) evolution of statistical properties related to particle time constant τd of collisionless evaporating droplets suspended in isothermal isotropic turbulent flows. The resulting Fokker-Planck equation for p(τ_d, t) has non-linear, time-dependent drift and diffusion coefficients that depend on the statistical properties of droplet's slip velocity. Approximate analytical expressions for these properties are derived and the equation is solved numerically after implementing a numerical method based on path-integral formalism. Time evolution of various droplet diameter related statistical properties are then calculated and are compared with the data available from the stochastic and direct numerical simulations (DNS) studies performed by Mashayek[2]. A good agreement for temporal evolution of mean and standard deviation of particle diameter is observed with DNS results. Reference [1] Van Kampen, N.G., Stochastic Processes in Physics and Chemistry, Elsevier Science Publishers, North Holland, Amsterdam, 1992. [2] Mashayek, F., Stochastic Simulations of Particle-Laden Isotropic Turbulent Flow, Int. J. Multiphase Flow, 25(8):1575-1599 (1999).

  18. Charge pariticle transport in the non-isotropic turbulences

    NASA Astrophysics Data System (ADS)

    Sun, P.; Jokipii, J. R.

    2015-12-01

    The scattering and diffusion of energetic charged particles is not only important for understanding phenomena such as diffusive shock acceleration but it also is a natural probe of the statistical characteristics of magnetohydrodynamic (MHD) turbulence. Although Parker's transport equation (Parker 1965) allows us to describe the propagation of charged particles, the transport coefficients needed in the equation must be determined. Using Quasi-Linear Theory (QLT, e.g. Jokipii (1966)), one finds that coefficients can be related to the correlation function or power spectrum of homogeneous magnetic turbulence. However, different turbulence models will generally have a different influence on particle's scattering and diffusion. Among those models developed in MHD Turbulence, such as isotropic, Slab plus 2D (Tu & Marsch 1993; Gray et al 1996; Bieber et al 1996), etc. Here, using test-particle orbit simulations to calculate the transport coefficients, we study particle transport in synthesized asymmetric turbulence using the form first proposed by Goldreich & Sridhar (1995). We developed and introduce a systematic method to synthesize scale-dependent non-isotropic magnetic turbulences. We also developed and introduce a method to synthesize the 3d turbulent magnetic field from the observed solar wind time series dataset. We present the comparison of their effects on charge particle transport with previous theories and models.

  19. Compatible quantum correlations: Extension problems for Werner and isotropic states

    NASA Astrophysics Data System (ADS)

    Johnson, Peter D.; Viola, Lorenza

    2013-09-01

    We investigate some basic scenarios in which a given set of bipartite quantum states may consistently arise as the set of reduced states of a global N-partite quantum state. Intuitively, we say that the multipartite state “joins” the underlying correlations. Determining whether, for a given set of states and a given joining structure, a compatible N-partite quantum state exists is known as the quantum marginal problem. We restrict to bipartite reduced states that belong to the paradigmatic classes of Werner and isotropic states in d dimensions and focus on two specific versions of the quantum marginal problem which we find to be tractable. The first is Alice-Bob, Alice-Charlie joining, with both pairs being in a Werner or isotropic state. The second is m-n sharability of a Werner state across N subsystems, which may be seen as a variant of the N-representability problem to the case where subsystems are partitioned into two groupings of m and n parties, respectively. By exploiting the symmetry properties that each class of states enjoys, we determine necessary and sufficient conditions for three-party joinability and 1-n sharability for arbitrary d. Our results explicitly show that although entanglement is required for sharing limitations to emerge, correlations beyond entanglement generally suffice to restrict joinability, and not all unentangled states necessarily obey the same limitations. The relationship between joinability and quantum cloning as well as implications for the joinability of arbitrary bipartite states are discussed.

  20. Negative ions at Titan: New results using spacecraft attitude changes

    NASA Astrophysics Data System (ADS)

    Wellbrock, A.; Coates, A. J.; Lewis, G. R.; Jones, G. H.; Arridge, C. S.; Magee, B. A.; Crary, F. J.; Waite, J. H.; Sittler, E. C.; Young, D. T.

    2009-04-01

    A. Wellbrock, A. J. Coates, G. R. Lewis, G. H. Jones, C. S. Arridge, B. A. Magee, F. J. Crary, J. H. Waite, E. C. Sittler, D. T. Young The ELS (ELectron Spectrometer) part of the Cassini Plasma Spectrometer (CAPS) revealed the existence of negative ions in Titan's ionosphere (Coates et al, 2007, Waite et al, 2007). The instrument is mounted on a rotating platform called the actuator. The negative ions are detected when this actuator points in the direction in which the spacecraft travels (the ‘ram direction'). This is because the negative ions have slow thermal speeds compared to the spacecraft speed, whereas electrons have much higher thermal speeds and are detected in any direction as their distribution is isotropic. Hence the negative ions can be identified as narrow spikes in the ELS electron spectrograms. During most Titan flybys, the spacecraft attitude is oriented such that the central anode of the instrument points in the ram direction. However, during Titan encounters when the spacecraft rotates, other anodes can point in the ram direction for short periods of time, or in a direction very close to the ram direction. In the latter case, only higher mass ions are detected. Comparing data from different anodes in and near the ram direction can be used to obtain information related to the ion velocity and temperature, which we discuss. The study of measurements from all anodes of the instrument also significantly increases the number of negative ion spikes available for analysis. The resulting set of data allows a statistical study of the different mass groups at a range of altitudes and latitudes, and their scale heights. We summarise and discuss the results. References: Coates, A.J., F.J. Crary, G.R. Lewis, D.T. Young, J.H. Waite, Jr., E.C.Sittler Jr., Discovery of heavy negative ions in Titan's ionosphere, Geophys. Res. Lett., 34, L22103, 2007. Waite, J. H., Jr., D. T. Young, T. E. Cravens, A. J. Coates, F. J. Crary, B. Magee and J. Westlake, The Process