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Sample records for dynamical magnetostructural properties

  1. Magnetostructural, mechanical and electronic properties of manganese tetraboride

    Science.gov (United States)

    Liang, Yongcheng; Wu, Zhaobing; Wang, Shiming

    2015-11-01

    Magnetostructural stabilities, mechanical behaviors and electronic structures of various phases of manganese tetraboride (MnB4) have been investigated systematically by density functional theory (DFT) based first-principles methods. It is found that MnB4 undergoes temperature-induced phase transitions from the nonmagnetic (NM) monoclinic mP20 structure to the ferromagnetic (FM) orthorhombic oP10 structure at 438 K, then to the antiferromagnetic (AFM) orthorhombic oP10 structure at 824 K. We reveal that the NM insulating mP20 phase stabilizes by the Peierls distortion breaking the structural degeneracy, while the FM and AFM metallic oP10 phases stabilize by the Stoner magnetism lifting the spin degeneracy. Furthermore, the calculated mechanical properties show that the NM mP20, FM oP10, and AFM oP10 phases exhibit low compressibility and high hardness, which originate from their three-dimensional covalent boron networks. Therefore, this unique temperature-assisted insulator-metal transition, strong stiffness and high hardness suggest that MnB4 may find promising technological applications as thermoelectric switches and field effect transistors at the extreme conditions.

  2. Magnetostructural, mechanical and electronic properties of manganese tetraboride

    Directory of Open Access Journals (Sweden)

    Yongcheng Liang

    2015-11-01

    Full Text Available Magnetostructural stabilities, mechanical behaviors and electronic structures of various phases of manganese tetraboride (MnB4 have been investigated systematically by density functional theory (DFT based first-principles methods. It is found that MnB4 undergoes temperature-induced phase transitions from the nonmagnetic (NM monoclinic mP20 structure to the ferromagnetic (FM orthorhombic oP10 structure at 438 K, then to the antiferromagnetic (AFM orthorhombic oP10 structure at 824 K. We reveal that the NM insulating mP20 phase stabilizes by the Peierls distortion breaking the structural degeneracy, while the FM and AFM metallic oP10 phases stabilize by the Stoner magnetism lifting the spin degeneracy. Furthermore, the calculated mechanical properties show that the NM mP20, FM oP10, and AFM oP10 phases exhibit low compressibility and high hardness, which originate from their three-dimensional covalent boron networks. Therefore, this unique temperature-assisted insulator-metal transition, strong stiffness and high hardness suggest that MnB4 may find promising technological applications as thermoelectric switches and field effect transistors at the extreme conditions.

  3. Optimizing Magnetocaloric Properties of Heusler-Type Magnetic Shape Memory Alloys by Tuning Magnetostructural Transformation Parameters

    Science.gov (United States)

    Huang, Lian; Qu, Yuhai; Cong, Daoyong; Sun, Xiaoming; Wang, Yandong

    2017-08-01

    Heusler-type magnetic shape memory alloys show a magnetostructural transformation from the low-magnetization phase to the high-magnetization phase upon the application of external magnetic fields. As a result, these alloys exhibit fascinating multifunctional properties, such as magnetic shape memory effect, magnetocaloric effect, magnetoresistance, and magnetic superelasticity. All these functional properties are intimately related to the coupling of the structural and magnetic transitions. Therefore, deliberate tuning of the magnetostructural transformation parameters is essential for obtaining optimal multifunctional properties. Here, we show that by tuning the magnetostructural transformation parameters, we are able to achieve a variety of novel magnetocaloric properties with different application potentials: (1) large magnetic entropy change of 31.9 J kg-1 K-1 under a magnetic field of 5 T; (2) giant effective magnetic refrigeration capacity (251 J kg-1) with a broad operating temperature window (33 K) under a magnetic field of 5 T; (3) large reversible field-induced entropy change (about 15 J kg-1 K-1) and large reversible effective magnetic refrigeration capacity (77 J kg-1) under a magnetic field of 5 T. The balanced tuning of magnetostructural transformation parameters of magnetic shape memory alloys may provide an instructive reference to the shape memory and magnetic refrigeration communities.

  4. A Comparative Study on Magnetostructural Properties of Barium Hexaferrite Powders Prepared by Polyethylene Glycol

    Directory of Open Access Journals (Sweden)

    Zehra Durmus

    2014-01-01

    Full Text Available Nanocrystalline particles of barium hexaferrite were synthesized by a sol-gel combustion route using nitrate-citrate gels prepared from metal nitrates and citric acid solutions with Fe/Ba molar ratio 12. The present paper aims to study the effect of addition of polyethylene glycol (PEG solutions with different molecular weights (MW: 400, 2000, and 10.000 g/mol on magnetostructural properties of barium hexaferrite. The formation of the barium hexaferrite was inspected using X-ray diffraction (XRD analysis, Fourier transform infrared (FT-IR analysis, thermogravimetric (TGA analysis, scanning electron microscopy (SEM analysis and vibrating sample magnetometer (VSM analysis for magnetic measurements.

  5. Multifunctional properties related to magnetostructural transitions in ternary and quaternary Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Dubenko, Igor, E-mail: igor_doubenko@yahoo.com [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Quetz, Abdiel; Pandey, Sudip; Aryal, Anil; Eubank, Michael [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Rodionov, Igor; Prudnikov, Valerii; Granovsky, Alexander [Faculty of Physics, Moscow State University, Vorob' evy Gory, 11999I Moscow (Russian Federation); Lahderanta, Erkki [Lappeenranta University of Technology, 53851 (Finland); Samanta, Tapas; Saleheen, Ahmad; Stadler, Shane [Department of Physics & Astronomy, Louisiana State University, Baton Rouge, LA 70803 (United States); Ali, Naushad [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States)

    2015-06-01

    In this report, the results of a study on the effects of compositional variations induced by the small changes in concentrations of the parent components and/or by the substitution of Ni, Mn, or In by an extra element Z, on the phase transitions, and phenomena related to the magnetostructural transitions in off-stoichiometric Ni–Mn–In based Heusler alloys are summarized. The crystal structures, phase transitions temperatures, and magnetic and magnetocaloric properties were analyzed for representative samples of the following systems (all near 15 at% indium concentration): Ni–Mn–In, Ni–Mn–In–Si, Ni–Mn–In–B, Ni–Mn–In–Cu, Ni–Mn–In–Cu–B, Ni–Mn–In–Fe, Ni–Mn–In–Ag, and Ni–Mn–In–Al. - Highlights: • The experimental results on phase transitions temperatures, adiabatic temperature changes, magnetoresistance and heat flow for the ternary and quaternary Heusler alloys based on Ni{sub 50}Mn{sub 35}In{sub 15} demonstrate high sensitivity of magnetic properties to the small changes in concentrations of the parent components and/or by the substitution of Ni, Mn, or In by an additional element Z. • The phenomena related to the magnetostructural transitions strongly depend on the weighted average radius of constituent ions.

  6. Effect of carbon content on magnetostructural properties of Mn{sub 3}GaC

    Energy Technology Data Exchange (ETDEWEB)

    Dias, E.T. [Department of Physics, Goa University, Goa 403206 (India); Priolkar, K.R., E-mail: krp@unigoa.ac.in [Department of Physics, Goa University, Goa 403206 (India); Nigam, A.K. [Tata Institute of Fundamental Research, Dr. Homi Bhabha Road, Colaba, Mumbai 400005 (India)

    2014-08-01

    Effect of carbon content on magnetostructural transformation in antiperovskites of the type Mn{sub 3}GaC{sub x} (x=0.8, 1.0 and 1.05) has been investigated. It is found that increase in carbon content changes the ground state from ferromagnetic metallic (x=0.8) to antiferromagnetic semiconducting (x=1.05) type. This has been attributed to localization of itinerant Mn 3d electrons due to increased Mn3d – C2p hybridization. Such a hybridization strengthens Mn–C–Mn antiferromagnetic interactions over Mn–Mn ferromagnetic interactions. Further, magnetic field can be used as a tool to modulate the relative strengths of these ferromagnetic and antiferromagnetic interactions thereby affecting the nature and strength of magnetocaloric properties. - Highlights: • Effect of carbon content on magnetostructural transformation in Mn{sub 3}GaC{sub x} has been investigated. • Increase in C content changes the ground state from FM metallic to AFM semiconducting type. • This behavior can be understood to be due to increased Mn3d – C2p hybridization • Magnetic field can be used to modulate the relative strengths of competing magnetic interactions.

  7. Improved magnetic induction heating of nanoferrites for hyperthermia applications: Correlation with colloidal stability and magneto-structural properties

    Energy Technology Data Exchange (ETDEWEB)

    Khot, V.M., E-mail: wish_khot@yahoo.co.in [Center for Interdisciplinary Research, D. Y. Patil University, Kolhapur 416006 (India); Salunkhe, A.B. [Advanced Materials Laboratory, Department of Physics, Savitribai Phule University of Pune (India); Ruso, J.M. [Soft Matter and Molecular Biophysics Group, Applied Physics Department, University of Santiago de Compostela, Santiago de Compostela (Spain); Pawar, S.H. [Center for Interdisciplinary Research, D. Y. Patil University, Kolhapur 416006 (India)

    2015-06-15

    Nanoferrites with compositions Mn{sub 0.4}Zn{sub 0.6}Fe{sub 2}O{sub 4}, Co{sub 0.4}Zn{sub 0.6}Fe{sub 2}O{sub 4}, Ni{sub 0.4}Zn{sub 0.6}Fe{sub 2}O{sub 4} (MZF, CZF and NZF respectively) coated with polyethylene glycol (PEG) were prepared in a single step. These nanoparticles are highly water dispersible with zeta potential values between 14 and 21 mV. Magnetic induction heating characteristics of these NPs have been studied as a function of magnetic field amplitude from 6.7 to 26.7 kA m{sup −1} (at fixed frequency 265 kHz) and concentration of nanoparticles. Notable enhancement in specific absorption rate (334.5 W g{sup −1}) by CZF nanoparticles has been observed. This enhanced induction heating properties have been studied and correlated with colloidal stability and magnetostructural properties such as tuned magnetic anisotropy arising from zinc substitution. Cytotoxicity of synthesized mixed ferrites has been evaluated in vitro on HeLa cell lines using MTT assay to explore their use as heating agents in magnetic hyperthermia. - Highlights: • Magnetic nanoferrites (sizes 8–12 nm) with improved specific absorption rate (334.5 W g{sup −1}) at lowest particle concentration have been prepared • The results have been explained by correlating colloidal stability and magnetostructural properties such as magnetocrystalline anisotropy. • It has been shown that substitution of zinc tunes anisotropy of cobalt iron oxide within the value optimized previously in achieving high throughput in magnetic induction heating. • In vitro cytotoxicity proves nanoparticles are non-toxic suggesting their use as a potential heating agent in hyperthermia therapy.

  8. Magneto-Structural Properties of Ni2MnGa Ferromagnetic Shape Memory Alloy in Magnetic Fields

    Directory of Open Access Journals (Sweden)

    Takuo Sakon

    2013-05-01

    Full Text Available The purpose of this review was to investigate the correlation between magnetism and crystallographic structures as it relates to the martensite transformation of Ni2MnGa type alloys, which undergo martensite transformation below the Curie temperature. In particular, this paper focused on the physical properties in magnetic fields. Recent researches show that the martensite starting temperature (martensite transformation temperature TM and the martensite to austenite transformation temperature (reverse martensite temperature TR of Fe, Cu, or Co-doped Ni–Mn–Ga ferromagnetic shape memory alloys increase when compared to Ni2MnGa. These alloys show large field dependence of the martensite transformation temperature. The field dependence of the martensite transformation temperature, dTM/dB, is −4.2 K/T in Ni41Co9Mn32Ga18. The results of linear thermal strain and magnetization indicate that a magneto-structural transition occurred at TM and magnetic field influences the magnetism and also the crystal structures. Magnetocrystalline anisotropy was also determined and compared with other components of Ni2MnGa type shape memory alloys. In the last section, magnetic field-induced strain and magnetostriction was determined with some novel alloys.

  9. Coupled magnetostructural transition in Ni-Mn-V-Ga Heusler alloys and its effect on the magnetocaloric and transport properties

    Science.gov (United States)

    Devarajan, U.; Kannan, M.; Thiyagarajan, R.; Manivel Raja, M.; Rama Rao, N. V.; Singh, Sanjay; Venkateshwarlu, D.; Ganesan, V.; Ohashi, M.; Arumugam, S.

    2016-02-01

    In the present work, the magnetocaloric and transport properties of Ni2.2Mn0.72-x V x Ga1.08 (x  =  0.0, 0.04, 0.08, 0.12) magnetic shape memory alloys are investigated. The alloys show a coupled magnetostructural transition from paramagnetic austenite to ferromagnetic martensite in a composition range of 0  ⩽  x  ⩽  0.08. For higher V substitution (x  =  0.12), the martensite transition is lower than the conventional ferromagnetic transition. Large magnetic entropy change values of about 12.4, 16.2 and 19 J kg-1 K-1 and corresponding refrigeration capacities of 60.6, 82.5, and 103 J kg-1 were observed for x  =  0, 0.04 and 0.08 alloys, respectively. The above two parameters linearly increase with increasing magnetic field. The indirect adiabatic temperature change calculated from the heat capacity measurement is found to be at its maximum for x  =  0.12 at H  =  8 T. The magnetoresistance is observed to increase from 0% (x  =  0.12) to 28% (x  =  0) at the maximum field of 8 T. The Sommerfeld coefficients are almost the same for the parent and a V-doped sample, which reveals a low free electron density, and the Debye coefficients decrease with an increase in V doping, confirming the phenomenon of electron-phonon scattering. The critical exponents at second order magnetic transition for x  = 0.12 are calculated as β  =  0.482, γ  =  1.056, δ  =  3.021, which agrees closely with mean field theory.

  10. Element-specific study of the coupled magneto-structural and magneto-electronic properties of CoNi nanoarrays

    Science.gov (United States)

    Yang, Chao-Yao; Tseng, Yuan-Chieh; Lin, Hong-Ji

    2013-04-01

    The magneto-structural (MS) and magneto-electronic (ME) effects, as well as their coupling relationship, were investigated in electroless-plated (EL) Co0.5Ni0.5 arrays treated by post N2 annealing and in situ field plating. Separately and combined, these two treatments have been widely employed to improve the properties of magnetic nanostructures. This work aimed to discriminate between treatments with respect to electronic and structural properties, and magnetic degrees of freedom of Co0.5Ni0.5 nanostructures. The field-plated sample exhibited a strong MS-ME coupling due to magneto-crystalline anisotropy (MCA), arising from a FCC (111) preferred orientation with lattice planes stacking orthogonally to the long axial direction of the arrays. A large coercivity was observed in this structure, arising from high magnetic stability. X-ray magnetic circular dichroism revealed that magnetization was enhanced primarily by Co magnetism, while the field-plated sample underwent a MS/ME transition with corresponding increase of the plating field. Conversely, the heat-treated sample comprised isotropically oriented nanocrystals approximately 20 ± 3 nm in diameter, coated with an oxidation layer (approximately 5 ± 2 nm thick). The absence of MCA in these samples ensured a weak MS-ME coupling. Although the Ni magnetization of heat-treated samples remained close to that of the field-plated sample, the Co constituent exhibited CoO and Co3O4 phases in addition to the metallic state. By contrast, the Co constituent of the field-plated sample was mainly metallic. The lack of MCA, combined with a complex Co magnetic state, appears responsible for the divergent macroscopic magnetic behaviors of the heat-treated and the field-plated samples. By isolating changes in local magnetic moments of Ni and Co, we gained a fundamental understanding of the effects of post-N2 annealing and field plating on CoNi. Such knowledge may assist researches in improving the magnetic properties of

  11. Effect of Ligand Substitution around the Dy(III) on the SMM Properties of Dual-Luminescent Zn-Dy and Zn-Dy-Zn Complexes with Large Anisotropy Energy Barriers: A Combined Theoretical and Experimental Magnetostructural Study.

    Science.gov (United States)

    Costes, Jean Pierre; Titos-Padilla, Silvia; Oyarzabal, Itziar; Gupta, Tulika; Duhayon, Carine; Rajaraman, Gopalan; Colacio, Enrique

    2016-05-02

    The new dinuclear Zn(II)-Dy(III) and trinuclear Zn(II)-Dy(III)-Zn(II) complexes of formula [(LZnBrDy(ovan) (NO3)(H2O)](H2O)·0.5(MeOH) (1) and [(L(1)ZnBr)2Dy(MeOH)2](ClO4) (3) (L and L(1) are the dideprotonated forms of the N,N'-2,2-dimethylpropylenedi(3-methoxysalicylideneiminato and 2-{(E)-[(3-{[(2E,3E)-3-(hydroxyimino)butan-2-ylidene ]amino}-2,2-dimethylpropyl)imino]methyl}-6-methoxyphenol Schiff base compartmental ligands, respectively) have been prepared and magnetostructurally characterized. The X-ray structure of 1 indicates that the Dy(III) ion exhibits a DyO9 coordination sphere, which is made from four O atoms coming from the compartmental ligand (two methoxy terminal groups and two phenoxido bridging groups connecting Zn(II) and Dy(III) ions), other four atoms belonging to the chelating nitrato and ovanillin ligands, and the last one coming to the coordinated water molecule. The structure of 3 shows the central Dy(III) ion surrounded by two L(1)Zn units, so that the Dy(III) and Zn(II) ions are linked by phenoxido/oximato bridging groups. The Dy ion is eight-coordinated by the six O atoms afforded by two L(1) ligands and two O atoms coming from two methanol molecules. Alternating current (AC) dynamic magnetic measurements of 1, 3, and the previously reported dinuclear [LZnClDy(thd)2] (2) complex (where thd = 2,2,6,6-tetramethyl-3,5-heptanedionato ligand) indicate single molecule magnet (SMM) behavior for all these complexes with large thermal energy barriers for the reversal of the magnetization and butterfly-shaped hysteresis loops at 2 K. Ab initio calculations on 1-3 show a pure Ising ground state for all of them, which induces almost completely suppressed quantum tunnelling magnetization (QTM), and thermally assisted quantum tunnelling magnetization (TA-QTM) relaxations via the first excited Kramers doublet, leading to large energy barriers, thus supporting the observation of SMM behavior. The comparison between the experimental and theoretical

  12. Hysteresis of magnetostructural transitions: Repeatable and non-repeatable processes

    Energy Technology Data Exchange (ETDEWEB)

    Provenzano, Virgil [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Della Torre, Edward; Bennett, Lawrence H. [Department of Electrical and Computer Engineering, The George Washington University, Washington, DC 20052 (United States); ElBidweihy, Hatem, E-mail: Hatem@gwmail.gwu.edu [Department of Electrical and Computer Engineering, The George Washington University, Washington, DC 20052 (United States)

    2014-02-15

    The Gd{sub 5}Ge{sub 2}Si{sub 2} alloy and the off-stoichiometric Ni{sub 50}Mn{sub 35}In{sub 15} Heusler alloy belong to a special class of metallic materials that exhibit first-order magnetostructural transitions near room temperature. The magnetic properties of this class of materials have been extensively studied due to their interesting magnetic behavior and their potential for a number of technological applications such as refrigerants for near-room-temperature magnetic refrigeration. The thermally driven first-order transitions in these materials can be field-induced in the reverse order by applying a strong enough field. The field-induced transitions are typically accompanied by the presence of large magnetic hysteresis, the characteristics of which are a complicated function of temperature, field, and magneto-thermal history. In this study we show that the virgin curve, the major loop, and sequentially measured MH loops are the results of both repeatable and non-repeatable processes, in which the starting magnetostructural state, prior to the cycling of field, plays a major role. Using the Gd{sub 5}Ge{sub 2}Si{sub 2} and Ni{sub 50}Mn{sub 35}In{sub 15} alloys, as model materials, we show that a starting single phase state results in fully repeatable processes and large magnetic hysteresis, whereas a mixed phase starting state results in non-repeatable processes and smaller hysteresis.

  13. Intensive Variables & Nanostructuring in Magnetostructural Materials

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, Laura

    2014-08-13

    Over the course of this project, fundamental inquiry was carried out to investigate, understand and predict the effects of intensive variables, including the structural scale, on magnetostructural phase transitions in the model system of equiatomic FeRh. These transitions comprise simultaneous magnetic and structural phase changes that have their origins in very strong orbital-lattice coupling and thus may be driven by a plurality of effects.

  14. Syntheses, structures, magnetic properties, and density functional theory magneto-structural correlations of bis(μ-phenoxo) and bis(μ-phenoxo)-μ-acetate/bis(μ-phenoxo)-bis(μ-acetate) dinuclear Fe(III)Ni(II) compounds.

    Science.gov (United States)

    Hazra, Susanta; Bhattacharya, Sagarika; Singh, Mukesh Kumar; Carrella, Luca; Rentschler, Eva; Weyhermueller, Thomas; Rajaraman, Gopalan; Mohanta, Sasankasekhar

    2013-11-18

    The bis(μ-phenoxo) Fe(III)Ni(II) compound [Fe(III)(N3)2LNi(II)(H2O)(CH3CN)](ClO4) (1) and the bis(μ-phenoxo)-μ-acetate/bis(μ-phenoxo)-bis(μ-acetate) Fe(III)Ni(II) compound {[Fe(III)(OAc)LNi(II)(H2O)(μ-OAc)](0.6)·[Fe(III)LNi(II)(μ-OAc)2](0.4)}(ClO4)·1.1H2O (2) have been synthesized from the Robson type tetraiminodiphenol macrocyclic ligand H2L, which is the [2 + 2] condensation product of 4-methyl-2,6-diformylphenol and 2,2'-dimethyl-1,3-diaminopropane. Single-crystal X-ray structures of both compounds have been determined. The cationic part of the dinuclear compound 2 is a cocrystal of the two species [Fe(III)(OAc)LNi(II)(H2O)(μ-OAc)](+) (2A) and [Fe(III)LNi(II)(μ-OAc)2](+) (2B) with weights of 60% of the former and 40% of the latter. While 2A is a triply bridged bis(μ-phenoxo)-μ-acetate system, 2B is a quadruply bridged bis(μ-phenoxo)-bis(μ-acetate) system. Variable-temperature (2-300 K) magnetic studies reveal antiferromagnetic interaction in 1 and ferromagnetic interaction in 2 with J values of -3.14 and 7.36 cm(-1), respectively (H = -2JS1·S2). Broken-symmetry density functional calculations of exchange interaction have been performed on complexes 1 and 2 and also on previously published related compounds, providing good numerical estimates of J values in comparison to experiments. The electronic origin of the difference in magnetic behavior of 1 and 2 has been well understood from MO analyses and computed overlap integrals of BS empty orbitals. The role of acetate and thus its complementarity/countercomplementarity effect on the magnetic properties of diphenoxo-bridged Fe(III)Ni(II) compounds have been determined on computing J values of model compounds by replacing bridging acetate and nonbridging acetate ligand(s) by water ligands in the model compounds derived from 2A,B. The DFT calculations have also been extended to develop several magneto-structural correlations in these types of complexes, and the correlations focus on the role of Fe

  15. Effect of film thickness on the magneto-structural properties of ion beam sputtered transition metal-metalloid FeCoNbB/Si (100) alloy thin films

    Science.gov (United States)

    Gupta, Pooja; Tripathi, Yagyanidhi; Kumar, Dileep; Rai, S. K.; Gupta, Mukul; Reddy, V. R.; Svec, Peter

    2016-08-01

    The structure and magnetic properties of ion beam sputtered transition metal-metalloid FeCoNbB/Si(100) alloy thin film have been studied as a function of film thickness using complementary techniques of x-ray reflectivity (XRR), grazing incidence x-ray diffraction, and magneto optical Kerr effect. Thicknesses of the films range from ˜200 to 1500 Å. The coercivity of all the films ranges between 4 and 14 Oe, which suggests soft magnetic nature of FeCoNbB/Si thin films. Films with thickness up to 800 Å are amorphous in nature and are found to possess uniaxial magnetic anisotropy in the film plane, although no magnetic field was applied during deposition. The presence of the two fold symmetry in such amorphous thin films may be attributed to quenched-in stresses developed during deposition. Upon increasing the film thickness to ˜1200 Å and above, the structure of FeCoNbB films transforms from amorphous to partially nanocrystalline structure and has bcc-FeCo nanocrystalline phase dispersed in remaining amorphous matrix. The crystalline volume fraction (cvf) of the films is found to be proportional to the film thickness. Azimuthal angle dependence of remanence confirms the presence of in-plane four-fold anisotropy (FFA) in the crystalline film with cvf ˜75%. Synchrotron x-ray diffraction measurement using area detector suggests random orientation of crystallites and thus clearly establishes that FFA is not related to texture/cubic symmetry in such polycrystalline thin films. As supported by asymmetric Bragg diffraction measurements, the origin of FFA in such partially crystalline thin film is ascribed to the additional compressive stresses developed in the film upon crystallization. Results indicate that promising soft magnetic properties in such films can be optimized by controlling the film thickness. The revelation of controllable and tunable anisotropy suggests that FeCoNbB thin films can have potential application in electromagnetic applications.

  16. Attestation in self-propagating combustion approach of spinel AFe2O4 (A = Co, Mg and Mn) complexes bearing mixed oxidation states: Magnetostructural properties

    Science.gov (United States)

    Bennet, J.; Tholkappiyan, R.; Vishista, K.; Jaya, N. Victor; Hamed, Fathalla

    2016-10-01

    Spinel type nano-sized ferrite compounds AFe2O4 (A = Co, Mg and Mn) have been successfully prepared by self-propagating combustion method using glycine as fuel at 400 °C under air atmosphere for 4 h. The crystal structure, chemical composition, morphology and magnetic properties of the synthesized samples were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, Energy dispersive X-ray, Scanning and Transmission electron microscopy and vibrating sample magnetometer. The chemical reaction and role of fuel on the nanoparticles formation were discussed. The XRD pattern of the synthesized samples shows the formation of pure phase with average crystallite size of 97, 57 and 98 nm from Scherrer formula and 86, 54 and 87 nm from Williamson and Hall (W-H) formula respectively. FTIR absorption spectra revealed that the presence of strong absorption peaks near 400-600 cm-1 corresponds to tetrahedral and octahedral complex of spinel ferrites. The relative concentrations of electronic states of elements such as cobalt (Co2+ and Co3+), iron (Fe2+ and Fe3+) and manganese (Mn2+ and Mn3+) oxidation states were studied from XPS and it is found that 55% of Fe ions are in Fe2+ state and the remaining is in Fe3+ state and thus the cationic distribution of Fe ions occurred in both tetrahedral and octahedral sites. SEM analysis indicates the presence of pore like morphology which is nearly homogenous because of combustion process. EDS analysis confirms the presence of elements in the ferrite samples. By replacing the active 'A' site cations in AFe2O4 (A = Co, Mg and Mn) samples show the different magnetic properties. The parameters like saturation magnetization, coercivity and remnant magnetization obtained from M-H loops are studied in room temperature.

  17. Effects of magnetic field and twin domains on magnetostructural phase mixture in Mn3O4 : Raman scattering studies of untwinned crystals

    Science.gov (United States)

    Byrum, T.; Gleason, S. L.; Thaler, A.; MacDougall, G. J.; Cooper, S. L.

    2016-05-01

    The ferrimagnetic spinel Mn3O4 exhibits large and anisotropic changes in electronic and structural properties in response to an applied magnetic field. These changes are thought to result from the field-dependent tuning—via strong spin-lattice coupling—between two nearly degenerate magnetostructural phases. Recent variable-magnetic-field studies of Mn3O4 have been performed on melt-grown crystals, which can exhibit twin domains due to a Jahn-Teller structural transition below the melting temperature. Because of the near degeneracy of the magnetostructural phases, however, strain associated with the twin domains likely affects the magnetic responses of Mn3O4 . In this report, we present a variable-magnetic-field Raman scattering study of untwinned Mn3O4 crystals grown out of a flux below the Jahn-Teller structural transition. We measure distinct q =0 magnetic and vibrational excitation spectra for each isolated magnetostructural phase of untwinned Mn3O4 crystals and determine the symmetries of the observed excitations. We determine how the magnetostructural phase mixture changes in response to magnetic fields applied in the magnetic easy plane. Last, by comparing results on flux- and melt-grown Mn3O4 crystals, we show that the intrinsic mixture of the two magnetostructural phases is indeed strongly influenced by the presence of twin domains.

  18. Magneto-structural correlations in rare-earth cobalt pnictides

    Science.gov (United States)

    Thompson, Corey Mitchell

    Magnetic materials are used in many applications such as credit cards, hard drives, electric motors, sensors, etc. Although a vast range of magnetic solids is available for these purposes, our ability to improve their efficiency and discover new materials remains paramount to the sustainable progress and economic profitability in many technological areas. The search for magnetic solids with improved performance requires fundamental understanding of correlations between the structural, electronic, and magnetic properties of existing materials, as well as active exploratory synthesis that targets the development of new magnets. Some of the strongest permanent magnets, Nd 2Fe14B, SmCo5, and Sm2Co17, combine transition and rare-earth metals, benefiting from the strong exchange between the 4f and 3d magnetic sublattices. Although these materials have been studied in great detail, the development of novel magnets requires thorough investigation of other 3d-4 f intermetallics, in order to gain further insights into correlations between their crystal structures and magnetic properties. Among many types of intermetallic materials, ternary pnictides RCo 2Pn2 (R = La, Ce, Pr, Nd; Pn = P, As) are of interest because, despite their simple crystal structures, they contain two magnetic sublattices, exchange interactions between which may lead to rich and unprecedented magnetic behavior. Nevertheless, magnetism of these materials was studied only to a limited extent, especially as compared to the extensive studies of their silicide and germanide analogues. The ThCr2Si2 structure type, to which these ternary pnictides belong, is one of the most ubiquitous atomic arrangements encountered among intermetallic compounds. It accounts for over 1000 known intermetallics and has received increased attention due to the recently discovered FeAs-based superconductors. This dissertation is devoted to the investigation of magnetostructural relationships and anomalous magnetic behaviors in rare

  19. Dynamical Properties of Interaction Data

    CERN Document Server

    Bramson, Aaron

    2015-01-01

    Network dynamics are typically presented as a time series of network properties captured at each period. The current approach examines the dynamical properties of transmission via novel measures on an integrated, temporally extended network representation of interaction data across time. Because it encodes time and interactions as network connections, static network measures can be applied to this "temporal web" to reveal features of the dynamics themselves. Here we provide the technical details and apply it to agent-based implementations of the well-known SEIR and SEIS epidemiological models.

  20. Magnetostriction and Magnetostructural Domains in Antiferromagnetic YBa2Cu3O6.

    Science.gov (United States)

    Náfrádi, B; Keller, T; Hardy, F; Meingast, C; Erb, A; Keimer, B

    2016-01-29

    We use high-resolution neutron Larmor diffraction and capacitative dilatometry to investigate spontaneous and forced magnetostriction in undoped, antiferromagnetic YBa_{2}Cu_{3}O_{6.0}, the parent compound of a prominent family of high-temperature superconductors. Upon cooling below the Néel temperature T_{N}=420  K, Larmor diffraction reveals the formation of magnetostructural domains of characteristic size ∼240  nm. In the antiferromagnetic state, dilatometry reveals a minute (4×10^{-6}) orthorhombic distortion of the crystal lattice in external magnetic fields. We attribute these observations to exchange striction and spin-orbit coupling induced magnetostriction, respectively, and show that they have an important influence on the thermal and charge transport properties of undoped and lightly doped cuprates.

  1. From first-order magneto-elastic to magneto-structural transition in (Mn,Fe)1.95P0.50Si0.50 compounds

    NARCIS (Netherlands)

    Dung, N. H.; Zhang, L.; Ou, Z. Q.; Brück, E.

    2011-01-01

    We report on structural, magnetic, and magnetocaloric properties of MnxFe1.95−xP0.50Si0.50 (x ≥ 1.10) compounds. With increasing the Mn:Fe ratio, a first-order magneto-elastic transition gradually changes into a first-order magneto-structural transition via a second-order magnetic transition. The st

  2. Properties of dynamical electromagnetic metamaterials

    Science.gov (United States)

    Padilla, Willie J.; Averitt, Richard D.

    2017-08-01

    Electromagnetic metamaterials consist of two or three dimensional arrays of tailored metallic and/or dielectric inclusions and provide unprecedented sub-wavelength control over light-matter interactions. Metamaterials are fashioned to yield a specific response to the electric and magnetic components of light and may be treated as effective media, described by effective optical constants {μ }{{eff}} and {{ɛ }}{{eff}}, and have realized a multitude of exotic properties difficult to achieve with natural materials. An inductive-capacitive unit cell geometry provides enhanced values of optical constants, as well as the ability to dynamically control the novel responses exhibited by electromagnetic metamaterials. The ability of metamaterials to achieve real-time dynamic properties has realized novel applications and has made them relevant for the next revolution in advanced materials and related devices.

  3. Dynamic properties of ceramic materials

    Energy Technology Data Exchange (ETDEWEB)

    Grady, D.E. [Sandia National Labs., Albuquerque, NM (United States). Experimental Impact Physics Dept.

    1995-02-01

    The present study offers new data and analysis on the transient shock strength and equation-of-state properties of ceramics. Various dynamic data on nine high strength ceramics are provided with wave profile measurements, through velocity interferometry techniques, the principal observable. Compressive failure in the shock wave front, with emphasis on brittle versus ductile mechanisms of deformation, is examined in some detail. Extensive spall strength data are provided and related to the theoretical spall strength, and to energy-based theories of the spall process. Failure waves, as a mechanism of deformation in the transient shock process, are examined. Strength and equation-of-state analysis of shock data on silicon carbide, boron carbide, tungsten carbide, silicon dioxide and aluminum nitride is presented with particular emphasis on phase transition properties for the latter two. Wave profile measurements on selected ceramics are investigated for evidence of rate sensitive elastic precursor decay in the shock front failure process.

  4. Windows open for highly tunable magnetostructural phase transitions

    KAUST Repository

    Li, Y.

    2016-07-18

    An attempt was made to tailor the magnetostructural transitions over a wide temperature range under the principle of isostructural alloying. A series of wide Curie-temperature windows (CTWs) with a maximal width of 377 K between 69 and 446 K were established in the Mn1− yCoyNiGe1− xSix system. Throughout the CTWs, the magnetic-field-induced metamagnetic behavior and giant magnetocaloric effects are obtained. The (Mn,Co)Ni(Ge,Si) system shows great potential as multifunctional phase-transition materials that work in a wide range covering liquid-nitrogen and above water-boiling temperatures. Moreover, general understanding of isostructural alloying and CTWs constructed in (Mn,Co)Ni(Ge,Si) as well as (Mn,Fe)Ni(Ge,Si) is provided.

  5. Attestation in self-propagating combustion approach of spinel AFe{sub 2}O{sub 4} (A = Co, Mg and Mn) complexes bearing mixed oxidation states: Magnetostructural properties

    Energy Technology Data Exchange (ETDEWEB)

    Bennet, J., E-mail: b.eenneett@gmail.com [Department of Physics, College of Engineering, Guindy, Anna University, Sardar Patel Road, Chennai,600025 (India); Tholkappiyan, R. [Department of Physics, College of Engineering, Guindy, Anna University, Sardar Patel Road, Chennai,600025 (India); Department of Physics, College of Science, UAE University, Al Ain 15551 (United Arab Emirates); Vishista, K.; Jaya, N. Victor [Department of Physics, College of Engineering, Guindy, Anna University, Sardar Patel Road, Chennai,600025 (India); Hamed, Fathalla [Department of Physics, College of Science, UAE University, Al Ain 15551 (United Arab Emirates)

    2016-10-15

    Highlights: • Spinel type ferrite compounds AFe{sub 2}O{sub 4} (A = Co, Mg and Mn) have been successfully prepared by self-propagating combustion method using glycine as fuel. • To investigate and confirms the presence of phases in the synthesized ferrite nanoparticles by XRD and FTIR analysis. • The formation of mixed oxidation state of cobalt (Co{sup 2+} and Co{sup 3+}), iron (Fe{sup 2+} and Fe{sup 3+}) and manganese (Mn{sup 2+} and Mn{sup 3+}) ions were studied and confirmed from XPS analysis. • The magnetic properties of the synthesized ferrites were studied by VSM measurement. - Abstract: Spinel type nano-sized ferrite compounds AFe{sub 2}O{sub 4} (A = Co, Mg and Mn) have been successfully prepared by self-propagating combustion method using glycine as fuel at 400 °C under air atmosphere for 4 h. The crystal structure, chemical composition, morphology and magnetic properties of the synthesized samples were characterized by X−ray diffraction, Fourier transform infrared spectroscopy, X−ray photoelectron spectroscopy, Energy dispersive X−ray, Scanning and Transmission electron microscopy and vibrating sample magnetometer. The chemical reaction and role of fuel on the nanoparticles formation were discussed. The XRD pattern of the synthesized samples shows the formation of pure phase with average crystallite size of 97, 57 and 98 nm from Scherrer formula and 86, 54 and 87 nm from Williamson and Hall (W–H) formula respectively. FTIR absorption spectra revealed that the presence of strong absorption peaks near 400–600 cm{sup −1} corresponds to tetrahedral and octahedral complex of spinel ferrites. The relative concentrations of electronic states of elements such as cobalt (Co{sup 2+} and Co{sup 3+}), iron (Fe{sup 2+} and Fe{sup 3+}) and manganese (Mn{sup 2+} and Mn{sup 3+}) oxidation states were studied from XPS and it is found that 55% of Fe ions are in Fe{sup 2+} state and the remaining is in Fe{sup 3+} state and thus the cationic distribution

  6. Dynamic properties of composite cemented clay

    Institute of Scientific and Technical Information of China (English)

    蔡袁强; 梁旭

    2004-01-01

    In this work,the dynamic properties of composite cemented clay under a wide range of strains were studied considering the effect of different mixing ratio and the change of confining pressures through dynamic triaxial test. A simple and practical method to estimate the dynamic elastic modulus and damping ratio is proposed in this paper and a related empirical normalized formula is also presented. The results provide useful guidelines for preliminary estimation of cement requirements to improve the dynamic properties of clays.

  7. Infrared study of the magnetostructural phase transition in correlated CrN

    Science.gov (United States)

    Ebad-Allah, J.; Kugelmann, B.; Rivadulla, F.; Kuntscher, C. A.

    2016-11-01

    We report on the pressure and temperature dependence of the electronic and vibrational properties of polycrystalline CrN studied by optical transmission and reflection measurements over the frequency range 0.012-2.48 eV. The optical conductivity spectrum of CrN at ambient conditions shows a phonon mode at ≈55 meV with a shoulder at ≈69 meV , a pronounced midinfrared absorption band centered at 123 ±2 meV , and a high-energy absorption band at ≈1.5 eV . The absorption bands are discussed in terms of the charge-transfer insulator picture. Following the reflectance spectrum with increasing pressure, the activation of an additional phonon mode above 0.6 GPa indicates the occurrence of a pressure-induced structural phase transition. Furthermore, the absorption spectrum exhibits significant changes in the far-infrared range with decreasing temperature: The phonon mode shows a sudden broadening followed by a splitting below 270 K. These changes observed under pressure or while cooling down can be associated with the magnetostructural phase transition reported previously.

  8. First order magneto-structural transition in functional magnetic materials: phase-coexistence and metastability

    Indian Academy of Sciences (India)

    S B Roy; M K Chattopadhyay; M A Manekar; K J S Sokhey; P Chaddah

    2006-11-01

    First order magneto-structural transition plays an important role in the functionality of various magnetic materials of current interest like manganese oxide systems showing colossal magnetoresistance, Gd5(Ge, Si)4 alloys showing giant magnetocaloric effects and magnetic shape memory alloys. The key features of this magneto-structural transition are phase-coexistence and metastability. This generality is highlighted with experimental results obtained in a particular class of materials. A generalized framework of disorder influenced first order phase transition is introduced to understand the interesting experimental results which have some bearing on the functionality of the concerned materials.

  9. Static and dynamic properties of Fibonacci multilayers

    Science.gov (United States)

    Machado, L. D.; Bezerra, C. G.; Correa, M. A.; Chesman, C.; Pearson, J. E.; Hoffmann, A.

    2013-05-01

    We theoretically investigate static and dynamic properties of quasiperiodic magnetic multilayers. We considered identical ferromagnetic layers separated by non-magnetic spacers with two different thicknesses chosen based on the Fibonacci sequence. Using parameters for Fe/Cr, the minimum energy was determined and the equilibrium magnetization directions found were used to calculate magnetoresistance curves. Regarding dynamic behavior, ferromagnetic resonance (FMR) curves were calculated using an approximation known from the literature. Our numerical results illustrate the effects of quasiperiodicity on the static and dynamic properties of these structures.

  10. Systematic study on surface and magnetostructural changes in Mn-substituted dysprosium ferrite by hydrothermal method

    Energy Technology Data Exchange (ETDEWEB)

    Rekha, G. [Department of Physics, College of Engineering Guindy, Anna University, Sardar Patel Road, Chennai 600025 (India); Tholkappiyan, R. [Department of Physics, College of Engineering Guindy, Anna University, Sardar Patel Road, Chennai 600025 (India); Department of Physics, College of Science, UAE University, Al-Ain 15551 (United Arab Emirates); Vishista, K., E-mail: raovishista@gmail.com [Department of Physics, College of Engineering Guindy, Anna University, Sardar Patel Road, Chennai 600025 (India); Hamed, Fathalla [Department of Physics, College of Science, UAE University, Al-Ain 15551 (United Arab Emirates)

    2016-11-01

    Highlights: • Garnet type Dy{sub 3}Fe{sub 5-x}Mn{sub x}O{sub 12} (x = 0–0.06) nanoparticles of 88.4–86.8 nm were synthesized by hydrothermal method. • The Dy, Mn, Fe and O elements in the ferrites were confirmed from XPS. • The multiple oxidation states of Fe and Mn ions, bonding energy and cationic distributions of the samples were examined by XPS. • The magnetic property shows ferromagnetic behavior from VSM technique. • The results from these studies are correlated with respect to Mn dopant. - Abstract: Dysprosium iron garnets are of scientific importance because of the wide range of magnetic properties that can be obtained in substituting dysprosium by a rare earth metal. In the present work, the effect of Mn substitution on magnetostructural changes in dysprosium ferrite nanoparticles is studied. Highly crystalline pure and Mn doped dysprosium ferrite nanoparticles were synthesized by hydrothermal method. The samples were calcined at 1100 °C for 2 h in air atmosphere which is followed by characterization using XRD, FT-IR analysis, SEM, XPS and VSM. The average crystallite size of synthesized samples were calculated by X-ray diffraction falls in the range of 88.4–86.8 nm and was found to be in cubic garnet structure. For further investigation of the structure and corresponding changes in the tetrahedral and octahedral stretching vibrational bonds, FT-IR was used. The synthesized samples consist of multiple oxidation (Fe{sup 3+} and Fe{sup 2+}) states for Fe ions and (Mn{sup 3+} and Mn{sup 2+}) Mn ions analyzed in three ways of Fe 2p and Mn 2p spectra from the XPS analysis. With respect to Mn dopant in Dy{sub 3}Fe{sub 5}O{sub 12}, the cationic distributions of elements were discussed from high resolution XPS spectra by peak position and shift, area, width. To find out the porous/void surface morphology of the sample, scanning electron microscopy was used. From XPS analysis, the presence of elements (Dy, Mn, Fe and O) and their composition in the

  11. Dynamic Properties of Impulse Measuring Systems

    DEFF Research Database (Denmark)

    Pedersen, A.; Lausen, P.

    1971-01-01

    After some basic considerations the dynamic properties of the measuring system are subjected to a general examination based on a number of responses, characteristic of the system. It is demonstrated that an impulse circuit has an internal impedance different from zero, for which reason the intera......After some basic considerations the dynamic properties of the measuring system are subjected to a general examination based on a number of responses, characteristic of the system. It is demonstrated that an impulse circuit has an internal impedance different from zero, for which reason...

  12. Dynamic properties of ultraviolet-exposed polyurea

    Science.gov (United States)

    Youssef, George; Whitten, Ian

    2016-11-01

    Polyurea is used in military and civilian applications, where exposure to the sun in long durations is imminent. Extended exposure to ultraviolet radiation from the sun can deteriorate its mechanical performance to suboptimal levels. This study reports on the dynamic mechanical properties of polyurea as a function of ultraviolet radiation exposure duration. Six sets of samples were continuously exposed to ultraviolet radiation for different durations up to 18 weeks. Control samples were also tested that did not receive ultraviolet exposure. The dynamic properties were measured using a dynamic mechanical analyzer. Exposed samples exhibited significant color changes from transparent yellow to opaque tan after 18 weeks of exposure. Changes of color were observed as early as 3 weeks of exposure. The dynamic properties showed an initial increase in the dynamic modulus after 3 weeks of exposure, with no further significant change in the stiffness thereafter. The ultraviolet exposure had a significant impact at relatively short loading times or low temperature, for example, up to 6 decades of time. As loading time increases or polyurea operates at high temperature, the effect of ultraviolet exposure and temperature on the performance become highly coupled.

  13. Magnetic hybride layers. Magnetic properties of locally exchange-coupled NiFe/IrMn layers; Magnetische Hybridschichten. Magnetische Eigenschaften lokal austauschgekoppelter NiFe/IrMn-Schichten

    Energy Technology Data Exchange (ETDEWEB)

    Hamann, Christine

    2010-10-06

    By the lateral modification of the magnetic properties of exchange-coupled NiFe/IrMn layers soft-magnetic layers were produced, which show both new static and dynamic properties. As lateral structuration methods hereby the localoxidation as well as ion implantation were applied. By means of thes procedures it has been succeeded to mould specific magnetic domain configurations with strp structure into the layers. In dependence of the structure orientation as well as strip period the remagnetization behavior as well as the magnetic-resonance frequency and damping of the layers could directly be modified. The new dynamical properties are hereby discussed in the framework of the coupling via dynamical charges and the direct affection of the effective field of the artificially inserted domain state. The presented results prove by this the large potential of the lateral magneto-structuration for the tuning of specifical static as well as dynamic properties of magnetically thin layers.

  14. Sorting cells by their dynamical properties

    Science.gov (United States)

    Henry, Ewan; Holm, Stefan H.; Zhang, Zunmin; Beech, Jason P.; Tegenfeldt, Jonas O.; Fedosov, Dmitry A.; Gompper, Gerhard

    2016-10-01

    Recent advances in cell sorting aim at the development of novel methods that are sensitive to various mechanical properties of cells. Microfluidic technologies have a great potential for cell sorting; however, the design of many micro-devices is based on theories developed for rigid spherical particles with size as a separation parameter. Clearly, most bioparticles are non-spherical and deformable and therefore exhibit a much more intricate behavior in fluid flow than rigid spheres. Here, we demonstrate the use of cells’ mechanical and dynamical properties as biomarkers for separation by employing a combination of mesoscale hydrodynamic simulations and microfluidic experiments. The dynamic behavior of red blood cells (RBCs) within deterministic lateral displacement (DLD) devices is investigated for different device geometries and viscosity contrasts between the intra-cellular fluid and suspending medium. We find that the viscosity contrast and associated cell dynamics clearly determine the RBC trajectory through a DLD device. Simulation results compare well to experiments and provide new insights into the physical mechanisms which govern the sorting of non-spherical and deformable cells in DLD devices. Finally, we discuss the implications of cell dynamics for sorting schemes based on properties other than cell size, such as mechanics and morphology.

  15. Dynamical properties of the Rabi model

    Science.gov (United States)

    Hu, Binglu; Zhou, Huili; Chen, Shujie; Xianlong, Gao; Wang, Kelin

    2017-02-01

    We study the dynamical properties of the quantum Rabi model using a systematic expansion method. Based on the observation that the parity symmetry of the Rabi model is kept during evolution of the states, we decompose the initial state and the time-dependent one into positive and negative parity parts expanded by superposition of the coherent states. The evolutions of the corresponding positive and the negative parities are obtained, in which the expansion coefficients in the dynamical equations are known from the derived recurrence relation.

  16. The Electrical and Dynamical Properties of Biomembranes

    DEFF Research Database (Denmark)

    Mosgaard, Lars Dalskov

    of a more general treatment. This purely thermodynamical treatment only describes the equilibrium properties of the membrane, however biological processes are of course dynamical in nature. A clear understanding of the dynamical behavior of lipid membranes is therefore essential when we aim at unraveling...... electrophysiological methods such as \\jump experiments" and impedance spectroscopy performed on lipid membranes. By doing so we observe that a number of non-linear phenomena previously thought to be associated with the presence of proteins embedded in the membrane can just as well be produced by a 'pure' lipid...

  17. Magnetostructural phase transitions and magnetocaloric effect in Tb-Dy-Ho-Co-Al alloys with a Laves phase structure

    Science.gov (United States)

    Tereshina, I. S.; Chzhan, V. B.; Tereshina, E. A.; Khmelevskyi, S.; Burkhanov, G. S.; Ilyushin, A. S.; Paukov, M. A.; Havela, L.; Karpenkov, A. Yu.; Cwik, J.; Koshkid'ko, Yu. S.; Miller, M.; Nenkov, K.; Schultz, L.

    2016-07-01

    The influence of simultaneous substitution within the rare earth (R) and Co sublattices on the structural, magnetic, and magnetocaloric properties of the Laves phase RCo2-type compounds is studied. Main attention is devoted to the studies of the magnetostructural phase transitions and the transition types with respect to the alloy composition. Multicomponent alloys Tbx(Dy0.5Ho0.5)1-xCo2 and Tbx(Dy0.5Ho0.5)1-xCo1.75Al0.25 were prepared with the use of high purity metals. Majority of the Tbx(Dy0.5Ho0.5)1-xCo2 alloys exhibit magnetic transitions of the first-order type and a large magnetocaloric effect. The substitution of Al for Co in Tbx(Dy0.5Ho0.5)1-xCo2 increases the Curie temperature (TC) but changes the transition type from first-to the second-order. The discussion of the physical mechanisms behind the observed phenomena is given on the basis of the first principles electronic-structure calculations taking into account both the atomic disorder and the magnetic disorder effects at finite temperatures. The advantage of Al-containing materials is that sufficiently high magnetocaloric effect values are preserved at T > TC.

  18. Multifractal properties of ball milling dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Budroni, M. A., E-mail: mabudroni@uniss.it; Pilosu, V.; Rustici, M. [Dipartimento di Chimica e Farmacia, Università degli Studi di Sassari, Via Vienna 2, Sassari 07100 (Italy); Delogu, F. [Dipartimento di Ingegneria Meccanica, Chimica, e dei Materiali, Università degli Studi di Cagliari, via Marengo 2, Cagliari 09123 (Italy)

    2014-06-15

    This work focuses on the dynamics of a ball inside the reactor of a ball mill. We show that the distribution of collisions at the reactor walls exhibits multifractal properties in a wide region of the parameter space defining the geometrical characteristics of the reactor and the collision elasticity. This feature points to the presence of restricted self-organized zones of the reactor walls where the ball preferentially collides and the mechanical energy is mainly dissipated.

  19. Multifractal properties of ball milling dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Budroni, M. A., E-mail: mabudroni@uniss.it; Pilosu, V.; Rustici, M. [Dipartimento di Chimica e Farmacia, Università degli Studi di Sassari, Via Vienna 2, Sassari 07100 (Italy); Delogu, F. [Dipartimento di Ingegneria Meccanica, Chimica, e dei Materiali, Università degli Studi di Cagliari, via Marengo 2, Cagliari 09123 (Italy)

    2014-06-15

    This work focuses on the dynamics of a ball inside the reactor of a ball mill. We show that the distribution of collisions at the reactor walls exhibits multifractal properties in a wide region of the parameter space defining the geometrical characteristics of the reactor and the collision elasticity. This feature points to the presence of restricted self-organized zones of the reactor walls where the ball preferentially collides and the mechanical energy is mainly dissipated.

  20. Dynamic Properties of Offshore Wind Turbine Foundations

    DEFF Research Database (Denmark)

    Damgaard, Mads

    and material damping in the soil. Modal properties in terms of natural frequencies and corresponding damping ratios of offshore wind turbines are investigated by full-scale modal testing and simple numerical quasi-static simulations. The analyses show distinctly time-varying inherent modal properties that...... of the soil indicates that the modal properties and cross-wind fatigue loads of offshore wind turbines are strongly affected by the interrelation effects between the foundation and subsoil....... with static springs along the foundation and soil damping applied as modal damping. The methods, however, do not account for the dynamic stiffness due to inertia forces, and a welldefined representation of the dissipation effects in the soil is neglected. This in turn forms the basis of the current thesis...

  1. Dynamic molecular crystals with switchable physical properties.

    Science.gov (United States)

    Sato, Osamu

    2016-06-21

    The development of molecular materials whose physical properties can be controlled by external stimuli - such as light, electric field, temperature, and pressure - has recently attracted much attention owing to their potential applications in molecular devices. There are a number of ways to alter the physical properties of crystalline materials. These include the modulation of the spin and redox states of the crystal's components, or the incorporation within the crystalline lattice of tunable molecules that exhibit stimuli-induced changes in their molecular structure. A switching behaviour can also be induced by changing the molecular orientation of the crystal's components, even in cases where the overall molecular structure is not affected. Controlling intermolecular interactions within a molecular material is also an effective tool to modulate its physical properties. This Review discusses recent advances in the development of such stimuli-responsive, switchable crystalline compounds - referred to here as dynamic molecular crystals - and suggests how different approaches can serve to prepare functional materials.

  2. A dynamic network in a dynamic population: asymptotic properties

    CERN Document Server

    Britton, Tom; Turova, Tatyana

    2011-01-01

    We derive asymptotic properties for a stochastic dynamic network model in a stochastic dynamic population. In the model, nodes give birth to new nodes until they die, each node being equipped with a social index given at birth. During the life of a node it creates edges to other nodes, nodes with high social index at higher rate, and edges disappear randomly in time. For this model we derive criterion for when a giant connected component exists after the process has evolved for a long period of time, assuming the node population grows to infinity. We also obtain an explicit expression for the degree correlation $\\rho$ (of neighbouring nodes) which shows that $\\rho$ is always positive irrespective of parameter values in one of the two treated submodels, and may be either positive or negative in the other model, depending on the parameters.

  3. Magneto-structural transformations in Ni{sub 50}Mn{sub 37.5}Sn{sub 12.5−x}In{sub x} Heusler powders

    Energy Technology Data Exchange (ETDEWEB)

    Maziarz, Wojciech; Wójcik, Anna; Czaja, Paweł [Instituite of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Str, 30-059 Kraków (Poland); Żywczak, Antoni [AGH University of Science and Technology, Academic Centre for Materials and Nanotechnology, Mickiewicza 30, 30-059 Kraków (Poland); Jan Dutkiewicz [Instituite of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Str, 30-059 Kraków (Poland); Hawełek, Łukasz [Institute of Non-Ferrous Metals, ul. Sowinskiego 5, 44-100 Gliwice (Poland); Cesari, Eduard [Department de Física, Universitat de les Illes Balears, Ctra. de Valldemossa, km 7.5, Palma de Mallorca E-07122 (Spain)

    2016-08-15

    The effect of ball milling and subsequently annealing of melt spun ribbons on magneto-structural transformations in Ni{sub 50}Mn{sub 37.5}Sn{sub 12.5−x}In{sub x} (x=0, 2, 4, 6) ribbons is presented. Short time vibration milling allows to obtain chemically homogenous powders of angular particle shapes and size within 10–50 μm. Milling does not change the characteristic temperatures of martensitic transformation in comparison to the melt spun ribbons. The effect of In substitution for Sn on martensitic transformation has a complex mechanism, associated with electron density change. Substitution of Sn by In in both milled and annealed powders leads to decrease of Curie temperature of austenite and increase of martensitic transformation temperature, stabilizing martensitic phase. The coexistence of magnetic transformation of austenite and martensitic transformation at low magnetic field was observed. The intermartensitic transformation of 4O martensite to L1{sub 0} martensite was observed during cooling at low magnetic field and this was confirmed by TEM microstructure observations. The annealing process of as-milled powders leads to the change of their martensitic structure due to relaxation of internal stresses associated with anisotropic columnar grain microstructure formed during melt spinning process. The level of stresses introduced during milling of ribbons has no significant influence on martensitic transformation. The annealing process of as milled powders leads to enhancement of their magnetic properties, decrease of Curie temperature of austenite, and marginal change of temperature of martenisitic transformation. - Highlights: • Vibration milling of ribbons allows to obtain angular powders of size 10–50 μm. • Vibration milling improves chemical homogeneity of alloys. • Indium addition changes the magneto-structural transformations in Ni–Mn–Sn–In alloys. • Complex character of magneto-structural transformations is visible. • Multistep

  4. Structural and dynamical properties of complex networks

    Science.gov (United States)

    Ghoshal, Gourab

    Recent years have witnessed a substantial amount of interest within the physics community in the properties of networks. Techniques from statistical physics coupled with the widespread availability of computing resources have facilitated studies ranging from large scale empirical analysis of the worldwide web, social networks, biological systems, to the development of theoretical models and tools to explore the various properties of these systems. Following these developments, in this dissertation, we present and solve for a diverse set of new problems, investigating the structural and dynamical properties of both model and real world networks. We start by defining a new metric to measure the stability of network structure to disruptions, and then using a combination of theory and simulation study its properties in detail on artificially generated networks; we then compare our results to a selection of networks from the real world and find good agreement in most cases. In the following chapter, we propose a mathematical model that mimics the structure of popular file-sharing websites such as Flickr and CiteULike and demonstrate that many of its properties can solved exactly in the limit of large network size. The remaining part of the dissertation primarily focuses on the dynamical properties of networks. We first formulate a model of a network that evolves under the addition and deletion of vertices and edges, and solve for the equilibrium degree distribution for a variety of cases of interest. We then consider networks whose structure can be manipulated by adjusting the rules by which vertices enter and leave the network. We focus in particular on degree distributions and show that, with some mild constraints, it is possible by a suitable choice of rules to arrange for the network to have any degree distribution we desire. In addition we define a simple local algorithm by which appropriate rules can be implemented in practice. Finally, we conclude our

  5. Dynamical properties of unconventional magnetic systems

    Energy Technology Data Exchange (ETDEWEB)

    Helgesen, G. [ed.

    1997-05-01

    The Advanced Study Institute addressed the current experimental and theoretical knowledge of the dynamical properties of unconventional magnetic systems including low-dimensional and mesoscopic magnetism, unconventional ground state, quantum magnets and soft matter. The main approach in this Advanced Study Institute was to obtain basic understanding of co-operative phenomena, fluctuations and excitations in the wide range unconventional magnetic systems now being fabricated or envisioned. The report contains abstracts for lectures, invited seminars and posters, together with a list of the 95 participants from 24 countries with e-mail addresses

  6. Dynamic HMM Model with Estimated Dynamic Property in Continuous Mandarin Speech Recognition

    Institute of Scientific and Technical Information of China (English)

    CHENFeili; ZHUJie

    2003-01-01

    A new dynamic HMM (hiddem Markov model) has been introduced in this paper, which describes the relationship between dynamic property and feature of space. The method to estimate the dynamic property is discussed in this paper, which makes the dynamic HMMmuch more practical in real time speech recognition. Ex-periment on large vocabulary continuous Mandarin speech recognition task has shown that the dynamic HMM model can achieve about 10% of error reduction both for tonal and toneless syllable. Estimated dynamic property can achieve nearly same (even better) performance than using extracted dynamic property.

  7. Critical dependence of magnetostructural coupling and magnetocaloric effect on particle size in Mn-Fe-Ni-Ge compounds.

    Science.gov (United States)

    Wu, Rongrong; Shen, Feiran; Hu, Fengxia; Wang, Jing; Bao, Lifu; Zhang, Lei; Liu, Yao; Zhao, Yingying; Liang, Feixiang; Zuo, Wenliang; Sun, Jirong; Shen, Baogen

    2016-02-17

    Magnetostructural coupling, which is the coincidence of crystallographic and magnetic transition, has obtained intense attention for its abundant magnetoresponse effects and promising technological applications, such as solid-state refrigeration, magnetic actuators and sensors. The hexagonal Ni2In-type compounds have attracted much attraction due to the strong magnetostructural coupling and the resulted giant negative thermal expansion and magnetocaloric effect. However, the as-prepared samples are quite brittle and naturally collapse into powders. Here, we report the effect of particle size on the magnetostructural coupling and magnetocaloric effect in the Ni2In-type Mn-Fe-Ni-Ge compound, which undergoes a large lattice change across the transformation from paramagnetic austenite to ferromagnetic martensite. The disappearance of martensitic transformation in a large amount of austenitic phase with reducing particle size, to our best knowledge, has not been reported up to now. The ratio can be as high as 40.6% when the MnNi0.8Fe0.2Ge bulk was broken into particles in the size range of 5~15 μm. Meanwhile, the remained magnetostructural transition gets wider and the magnetic hysteresis becomes smaller. As a result, the entropy change drops, but the effective cooling power RCeffe increases and attains to the maximum at particles in the range of 20~40 μm. These observations provide constructive information and highly benefit practical applications for this class of novel magnetoresponse materials.

  8. Critical dependence of magnetostructural coupling and magnetocaloric effect on particle size in Mn-Fe-Ni-Ge compounds

    Science.gov (United States)

    Wu, Rongrong; Shen, Feiran; Hu, Fengxia; Wang, Jing; Bao, Lifu; Zhang, Lei; Liu, Yao; Zhao, Yingying; Liang, Feixiang; Zuo, Wenliang; Sun, Jirong; Shen, Baogen

    2016-02-01

    Magnetostructural coupling, which is the coincidence of crystallographic and magnetic transition, has obtained intense attention for its abundant magnetoresponse effects and promising technological applications, such as solid-state refrigeration, magnetic actuators and sensors. The hexagonal Ni2In-type compounds have attracted much attraction due to the strong magnetostructural coupling and the resulted giant negative thermal expansion and magnetocaloric effect. However, the as-prepared samples are quite brittle and naturally collapse into powders. Here, we report the effect of particle size on the magnetostructural coupling and magnetocaloric effect in the Ni2In-type Mn-Fe-Ni-Ge compound, which undergoes a large lattice change across the transformation from paramagnetic austenite to ferromagnetic martensite. The disappearance of martensitic transformation in a large amount of austenitic phase with reducing particle size, to our best knowledge, has not been reported up to now. The ratio can be as high as 40.6% when the MnNi0.8Fe0.2Ge bulk was broken into particles in the size range of 5~15 μm. Meanwhile, the remained magnetostructural transition gets wider and the magnetic hysteresis becomes smaller. As a result, the entropy change drops, but the effective cooling power RCeffe increases and attains to the maximum at particles in the range of 20~40 μm. These observations provide constructive information and highly benefit practical applications for this class of novel magnetoresponse materials.

  9. Critical dependence of magnetostructural coupling and magnetocaloric effect on particle size in Mn-Fe-Ni-Ge compounds

    Science.gov (United States)

    Wu, Rongrong; Shen, Feiran; Hu, Fengxia; Wang, Jing; Bao, Lifu; Zhang, Lei; Liu, Yao; Zhao, Yingying; Liang, Feixiang; Zuo, Wenliang; Sun, Jirong; Shen, Baogen

    2016-01-01

    Magnetostructural coupling, which is the coincidence of crystallographic and magnetic transition, has obtained intense attention for its abundant magnetoresponse effects and promising technological applications, such as solid-state refrigeration, magnetic actuators and sensors. The hexagonal Ni2In-type compounds have attracted much attraction due to the strong magnetostructural coupling and the resulted giant negative thermal expansion and magnetocaloric effect. However, the as-prepared samples are quite brittle and naturally collapse into powders. Here, we report the effect of particle size on the magnetostructural coupling and magnetocaloric effect in the Ni2In-type Mn-Fe-Ni-Ge compound, which undergoes a large lattice change across the transformation from paramagnetic austenite to ferromagnetic martensite. The disappearance of martensitic transformation in a large amount of austenitic phase with reducing particle size, to our best knowledge, has not been reported up to now. The ratio can be as high as 40.6% when the MnNi0.8Fe0.2Ge bulk was broken into particles in the size range of 5~15 μm. Meanwhile, the remained magnetostructural transition gets wider and the magnetic hysteresis becomes smaller. As a result, the entropy change drops, but the effective cooling power RCeffe increases and attains to the maximum at particles in the range of 20~40 μm. These observations provide constructive information and highly benefit practical applications for this class of novel magnetoresponse materials. PMID:26883719

  10. Dynamic properties of interfaces in soft matter: Experiments and theory

    NARCIS (Netherlands)

    Sagis, L.M.C.

    2011-01-01

    The dynamic properties of interfaces often play a crucial role in the macroscopic dynamics of multiphase soft condensed matter systems. These properties affect the dynamics of emulsions, of dispersions of vesicles, of biological fluids, of coatings, of free surface flows, of immiscible polymer

  11. Dynamical Properties of Internal Shocks Revisited

    CERN Document Server

    Pe'er, Asaf; Casella, Piergiorgio

    2016-01-01

    Internal shocks between propagating plasma shells, originally ejected at different times with different velocities are believed to play a major role in dissipating the kinetic energy, thereby explaining the observed lightcurve and spectra in a large range of transient objects. Even if initially the colliding plasmas are cold, following the first collision the plasma shells are substantially heated, implying that in a scenario of multiple collisions, most collisions take place between plasmas of non-zero temperatures. Here, we calculate the dynamical properties of plasmas resulting from collision between arbitrarily hot plasma shells, moving at arbitrary speeds. We provide simple analytical expressions valid for both the ultra-relativistic and Newtonian velocities, for both hot and cold plasmas. We derive the minimum criteria required for the formation of the two-shock wave system, and show that in the relativistic limit, the minimum Lorentz factor is proportional to the square root of the ratio of the initial...

  12. Magnetostructural phase transitions and magnetocaloric effect in Tb-Dy-Ho-Co-Al alloys with a Laves phase structure

    Energy Technology Data Exchange (ETDEWEB)

    Tereshina, I. S., E-mail: irina-tereshina@mail.ru [Faculty of Physics, M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Baikov Institute of Metallurgy and Material Sciences, Russian Academy of Sciences, Moscow 119991 (Russian Federation); International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw 53-421 (Poland); Chzhan, V. B. [Baikov Institute of Metallurgy and Material Sciences, Russian Academy of Sciences, Moscow 119991 (Russian Federation); International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw 53-421 (Poland); National University of Science and Technology “MISIS”, Moscow 119049 (Russian Federation); Tereshina, E. A. [Institute of Physics CAS, Prague 18221 (Czech Republic); Khmelevskyi, S. [Center for Computational Materials Science, IAP, Vienna University of Technology, Vienna A-1040 (Austria); Burkhanov, G. S. [Baikov Institute of Metallurgy and Material Sciences, Russian Academy of Sciences, Moscow 119991 (Russian Federation); Ilyushin, A. S. [Faculty of Physics, M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Complex Research Institute named after Kh. I. Ibragimov, Russian Academy of Sciences, Groznyi 364906 (Russian Federation); Paukov, M. A.; Havela, L. [Faculty of Mathematics and Physics, Charles University, Prague 12116 (Czech Republic); Karpenkov, A. Yu. [Physics Faculty, Tver State University, Tver 170100 (Russian Federation); Department of Physics, Chelyabinsk State University, Chelyabinsk 454001 (Russian Federation); Cwik, J.; Koshkid' ko, Yu. S.; Miller, M. [International Laboratory of High Magnetic Fields and Low Temperatures, Wroclaw 53-421 (Poland); Nenkov, K.; Schultz, L. [Leibniz-Institut fur Festkorper- und Werkstoffforschung, Dresden D-01171 (Germany)

    2016-07-07

    The influence of simultaneous substitution within the rare earth (R) and Co sublattices on the structural, magnetic, and magnetocaloric properties of the Laves phase RCo{sub 2}-type compounds is studied. Main attention is devoted to the studies of the magnetostructural phase transitions and the transition types with respect to the alloy composition. Multicomponent alloys Tb{sub x}(Dy{sub 0.5}Ho{sub 0.5}){sub 1−x}Co{sub 2} and Tb{sub x}(Dy{sub 0.5}Ho{sub 0.5}){sub 1−x}Co{sub 1.75}Al{sub 0.25} were prepared with the use of high purity metals. Majority of the Tb{sub x}(Dy{sub 0.5}Ho{sub 0.5}){sub 1−x}Co{sub 2} alloys exhibit magnetic transitions of the first-order type and a large magnetocaloric effect. The substitution of Al for Co in Tb{sub x}(Dy{sub 0.5}Ho{sub 0.5}){sub 1−x}Co{sub 2} increases the Curie temperature (T{sub C}) but changes the transition type from first-to the second-order. The discussion of the physical mechanisms behind the observed phenomena is given on the basis of the first principles electronic-structure calculations taking into account both the atomic disorder and the magnetic disorder effects at finite temperatures. The advantage of Al-containing materials is that sufficiently high magnetocaloric effect values are preserved at T > T{sub C}.

  13. Dynamic viscoelastic properties of polyvinyl chloride with physical aging

    Science.gov (United States)

    Tian, Fang; Luo, Yingshe; Yin, Shuiping; Wang, Hong; Cao, Chun

    2015-11-01

    The experimental research of dynamic viscoelastic properties of polyvinyl chloride was conducted by the dynamic mechanical analysis method in this paper. And the fitting equation of dynamic modulus of polymers has been presented. Based on the time-aging time equivalent principle, horizontal shift factor and vertical shift factor of aging time are carried out, which proposes a novel method for the research on time-aging time equivalent analysis of dynamic mechanical properties of polymers during physical aging.

  14. Magnetostructural transition behavior in Fe-doped Heusler Mn–Ni–In ribbon materials

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hongwei [State Key Laboratory of Advanced Special Steels, Shanghai University, Shanghai 200072 (China); Shanghai Key Laboratory of Advanced Ferrometallurgy, Shanghai University, Shanghai 200072 (China); School of Materials Science and Engineering, Shanghai University, Shanghai 200072 (China); Fang, Yue; Feng, Shutong [Laboratory for Microstructures, Shanghai University, Shanghai 200072 (China); Zhai, Qijie [State Key Laboratory of Advanced Special Steels, Shanghai University, Shanghai 200072 (China); Shanghai Key Laboratory of Advanced Ferrometallurgy, Shanghai University, Shanghai 200072 (China); School of Materials Science and Engineering, Shanghai University, Shanghai 200072 (China); Luo, Zhiping [Department of Chemistry and Physics, Fayetteville State University, Fayetteville, NC 28301 (United States); Zheng, Hongxing, E-mail: hxzheng@shu.edu.cn [State Key Laboratory of Advanced Special Steels, Shanghai University, Shanghai 200072 (China); Shanghai Key Laboratory of Advanced Ferrometallurgy, Shanghai University, Shanghai 200072 (China); School of Materials Science and Engineering, Shanghai University, Shanghai 200072 (China); Laboratory for Microstructures, Shanghai University, Shanghai 200072 (China)

    2016-11-01

    In the present work, we investigated magnetostructural transition behavior in Mn-rich Heusler Mn{sub 50−x}Fe{sub x}Ni{sub 41}In{sub 9} (x=0, 1, 2, 3 at%) ribbon materials. Microstructural observations showed that substituting Mn with Fe in Mn{sub 50}Ni{sub 41}In{sub 9} led to striking grain refinement from ∼50 μm to 5–10 μm, and formation of a secondary phase when Fe content was increased up to 2 at%. Differential scanning calorimetric and thermomagnetic measurements indicated that a paramagnetic→ferromagnetic transition in austenite occurred first, followed with a weak-magnetic martensitic transition upon cooling for the Mn{sub 50−x}Fe{sub x}Ni{sub 41}In{sub 9} (x=0, 1, 2). In case of Mn{sub 47}Fe{sub 3}Ni{sub 41}In{sub 9}, the martensitic transformation happened between paramagnetic austenite and weak-magnetic martensite, without the presence of the magnetic transition in austenite. The effective refrigeration capacity of Mn{sub 49}Fe{sub 1}Ni{sub 41}In{sub 9} reached 137.1 J kg{sup −1} under a magnetic field change of 30 kOe. - Highlights: • The magnetostructural transition behavior of Fe-doped Mn–Ni–In was investigated. • Substituting Mn with Fe would lead to striking grain refinement in melt-spun Mn–Ni–In ribbon materials. • Secondary phase formed when 2 at% Mn was replaced by Fe in annealed Mn–Ni–In ribbon materials.

  15. Thermodynamical and dynamical properties of charged BTZ black holes

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Zi-Yu; Wang, Bin [Shanghai Jiao Tong University, Department of Physics and Astronomy, Center for Astronomy and Astrophysics, Shanghai (China); Zhang, Cheng-Yong [Peking University, Center for High-Energy Physics, Beijing (China); Kord Zangeneh, Mahdi [Shanghai Jiao Tong University, Department of Physics and Astronomy, Center for Astronomy and Astrophysics, Shanghai (China); Shahid Chamran University of Ahvaz, Physics Department, Faculty of Science, Ahvaz (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM)-Maragha, P. O. Box: 55134-441, Maragha (Iran, Islamic Republic of); Shiraz University, Physics Department and Biruni Observatory, College of Sciences, Shiraz (Iran, Islamic Republic of); Saavedra, Joel [Pontificia Universidad Catolica de Valparaiso, Instituto de Fisica, Valparaiso (Chile)

    2017-06-15

    We investigate the spacetime properties of BTZ black holes in the presence of the Maxwell field and Born-Infeld field and find rich properties in the spacetime structures when the model parameters are varied. Employing Landau-Lifshitz theory, we examine the thermodynamical phase transition in the charged BTZ black holes. We further study the dynamical perturbation in the background of the charged BTZ black holes and find different properties in the dynamics when the thermodynamical phase transition occurs. (orig.)

  16. Evolution of magnetostructural transition and magnetocaloric effect with Al doping in MnCoGe1-xAlx compounds

    KAUST Repository

    Bao, Lifu

    2014-01-03

    The effect of Al doping in MnCoGe1-xAlx compounds has been investigated. The substitution of Al for Ge enhances Mn-Mn covalent bonding by shortening the distance of nearest Mn atom layers, and thus stabilizes the hexagonal structure. As a result, first-order magnetostructural transition between ferromagnetic martensite and paramagnetic austenite takes place for the optimized compositions (x = 0.01, 0.02). Accompanied with the magnetostructural transition, large magnetocaloric effect (MCE) is observed. More doping of Al(x = 0.03, 0.04) leads to the separation of magnetic and structural transitions and remarkable reduction of MCE. © 2014 IOP Publishing Ltd.

  17. Magneto-structural correlations in Pr 0.15Gd 0.85Mn 2Ge 2

    Science.gov (United States)

    Dincer, I.; Elerman, Y.; Elmali, A.; Ehrenberg, H.; Fuess, H.; Baehtz, C.

    2006-11-01

    Magneto-structural correlations in Pr 0.15Gd 0.85Mn 2Ge 2 have been studied by synchrotron diffraction in the temperature range between 11 and 300 K. This compound crystallizes in the ThCr 2Si 2-type structure (space group I4/mmm). The unit cell parameters a and c were determined by Rietveld refinements as a function of temperature. Anomalies in the temperature dependence of the unit cell parameters a and c, the c/a ratio and the unit cell volume V at about 240 and 140 K, which is close to the magnetic phase transition temperatures, indicate a pronounced magneto-structural correlation. Spontaneous volume change and linear magnetostrictions are derived as a function of temperature.

  18. Frequency-dependent dynamic effective properties of porous materials

    Institute of Scientific and Technical Information of China (English)

    Peijun Wei; Zhuping Huang

    2005-01-01

    The frequency-dependent dynamic effective properties (phase velocity, attenuation and elastic modulus) of porous materials are studied numerically. The coherent plane longitudinal and shear wave equations, which are obtained by averaging on the multiple scattering fields, are used to evaluate the frequency-dependent dynamic effective properties of a porous material. It is found that the prediction of the dynamic effective properties includes the size effects of voids which are not included in most prediction of the traditional static effective properties. The prediction of the dynamic effective elastic modulus at a relatively low frequency range is compared with that of the traditional static effective elastic modulus, and the dynamic effective elastic modulus is found to be very close to the Hashin-Shtrikman upper bound.

  19. Mechanism of Magnetostructural Transitions in Copper-Nitroxide-Based Switchable Molecular Magnets: Insights from ab Initio Quantum Chemistry Calculations.

    Science.gov (United States)

    Jung, Julie; Guennic, Boris Le; Fedin, Matvey V; Ovcharenko, Victor I; Calzado, Carmen J

    2015-07-20

    The gradual magnetostructural transition in breathing crystals based on copper(II) and pyrazolyl-substituted nitronyl nitroxides has been analyzed by means of DDCI quantum chemistry calculations. The magnetic coupling constants (J) within the spin triads of Cu(hfac)2L(Bu)·0.5C8H18 have been evaluated for the X-ray structures reported at different temperatures. The coupling is strongly antiferromagnetic at low temperature and becomes ferromagnetic when the temperature increases. The intercluster magnetic coupling (J') is antiferromagnetic and shows a marked dependence on temperature. The magnetostructural transition can be reproduced using the calculated J values for each structure in the simulation of the magnetic susceptibility. However, the μ(T) curve can be improved nicely by considering the coexistence of two phases in the transition region, whose ratio varies with temperature corresponding to both the weakly and strongly coupled spin states. These results complement a recent VT-FTIR study on the parent Cu(hfac)2L(Pr) compound with a gradual magnetostructural transition.

  20. Magnetostructural coupling, magnetic ordering, and cobalt spin reorientation in metallic P r0.5S r0.5Co O3 cobaltite

    Science.gov (United States)

    García-Muñoz, José Luis; Padilla-Pantoja, Jessica; Torrelles, Xavier; Blasco, Javier; Herrero-Martín, Javier; Bozzo, Bernat; Rodríguez-Velamazán, José A.

    2016-07-01

    In half-doped P r0.50A0.50Co O3 metallic perovskites, the spin-lattice coupling brings about distinct magnetostructural transitions for A =Ca and A =Sr at temperatures close to ˜100 K. However, the ground magnetic properties of P r0.50S r0.50Co O3 (PSCO) strongly differ from P r0.50C a0.50Co O3 ones, where a partial P r3 + to P r4 + valence shift and Co spin transition makes the system insulating below the transition. This paper investigates and describes the relationship between the I m m a →I 4 /m c m symmetry change [Padilla-Pantoja, García-Muñoz, Bozzo, Jirák, and Herrero-Martín, Inorg. Chem. 53, 12297 (2014)] and the original magnetic behavior of PSCO versus temperature and external magnetic fields. The FM1 and FM2 ferromagnetic phases, above and below the magnetostructural transition (TS 1˜120 K ) have been investigated. The FM2 phase of PSCO is composed of [100] FM domains, with magnetic symmetry I m'm'a (mx≠0 , mz=0 ). The magnetic space group of the FM1 phase is F m'm'm (with mx=my ). Neutron data analyses in combination with magnetometry and earlier reports results agrees with a reorientation of the magnetization axis by 45∘ within the a b plane across the transition, in which the system retains its metallic character. The presence below TS 1 of conjugated magnetic domains, both of F m'm'm symmetry but having perpendicular spin orientations along the diagonals in the x y plane of the tetragonal unit cell, is at the origin of the anomalies observed in the macroscopic magnetization. A relatively small field μ0H [⊥ z ] ≳30 mT is able to reorient the magnetization within the a b plane, whereas a higher field (μ0H [∥z ] ≳1.2 T at 2 K) is necessary to align the Co moments perpendicular to the a b plane. Such a spin reorientation, in which the orbital and spin components of the Co moment rotate joined by 45∘, was not observed previously in analogous cobaltites without praseodymium.

  1. -Phenoxo--pseudohalide and -pseudohalide dinuclear, tetranuclear and one-dimensional complexes: magneto-structural correlation and interesting type of solid state isomerism

    Indian Academy of Sciences (India)

    Sujit Sasmal; Sasankasekhar Mohanta

    2012-11-01

    Five Schiff base ligands have been utilized to explore metallo-pseudohalide (azide or cyanate) systems. These ligands are the 1:1 condensation products of 3-methoxysalicylaldehyde with ethanolamine (H2L1)/1-(2-aminoethyl)-piperidine (HL2)/ 4-(2-aminoethyl)-morpholine (HL3) or salicylaldehyde with 1-(2-aminoethyl)-piperidine (HL4)/4-(2-aminoethyl)-morpholine (HL5). The derived complexes are as follows: Four heterobridged -phenoxo-1,1-azide/cyanate dinickel(II) compounds of composition [Ni$^{\\text{II}}_{2}$ (HL1)3(1,1-N3)]$\\cdot$3H2O (1), [Ni$^{\\text{II}}_{2}$ (L2)2(1,1-N3)(N3)(H2O)]·CH3CH2OH (2), [Ni$^{\\text{II}}_{2}$ (L3)2-(1,1-N3)(CH3CN)(H2O)](ClO4)·H2O·CH3CN (3) and [Ni$^{\\text{II}}_{2}$ (HL1)3(1,1-NCO)]·2H2O (4); Two 1,3-azide bridged tetranickel(II) compounds [{NiII(L4)(1,3-N3)(H2O)}4] (5) and [{NiII(L5)(1,3-N3)(H2O)}4] (6); Two 1,3-azide/cyanate one-dimensional compounds [CuIIL5(1,3-NCO)]·2H2O (7) and [CuIIL5(1,3-N3)]·2H2O (8). Except compound 5 which shows overall antiferromagnetic coupling, other compounds exhibit overall ferromagnetic interaction. Syntheses, crystal structures, magnetic properties, density functional theoretical (DFT) calculations and experimental/theoretical magneto-structural correlations have been carried out which have revealed some interesting observations on composition/topology, magneto-structural correlations and solid state isomerism. The results have been already published. The present report deals with a review of the salient and interesting features of these works.

  2. Dynamic damping property of magnetorheological elastomer

    Institute of Scientific and Technical Information of China (English)

    李剑锋; 龚兴龙

    2008-01-01

    Magnetorheological elastomer(MRE) is a new kind of smart materials,its dynamic mechanic performances can be controlled by an applied magnetic field.MRE is usually used as a stiffness-changeable spring in the semi-active vibration absorber.In order to get perfect vibration control effect,low dynamic damping of MRE is need.But the dynamic damping of MRE was not studied deeply in the past.The dynamic damping of MRE was studied and analyzed.The influences of different test conditions including test strain amplitude,test frequency and test magnetic field were deeply studied.MRE sample and pure silicone rubber sample were prepared and tested under different conditions.The test results show that the main source of dynamic damping is the friction between iron particles and rubber matrix.And the friction is mainly influenced by the strain amplitude and test magnetic field.

  3. PARAMETRIC ANALYSIS OF THE DYNAMIC PROPERTIES OF ...

    African Journals Online (AJOL)

    static and dynamic analysis of structures [2, 3,4]. ... than by the expected complexity of their behavior. This fact has been .... The computational cost of extracting the vibration modes can be reduced by applying one of the condensation.

  4. Dynamic and kinetic properties of Al-Li melts

    Science.gov (United States)

    Kiselev, A. I.

    2008-12-01

    The dynamic and kinetic properties of Al-Li melts are calculated. The liquid phase of this system is shown to be characterized by three states with different ion distributions and different degrees of electron localization.

  5. Room temperature magneto-structural transition in Al for Sn substituted Ni–Mn–Sn melt spun ribbons

    Energy Technology Data Exchange (ETDEWEB)

    Maziarz, W. [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 W. Reymonta Str., 30-059 Kraków (Poland); Czaja, P., E-mail: p.czaja@imim.pl [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 W. Reymonta Str., 30-059 Kraków (Poland); Szczerba, M.J. [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 W. Reymonta Str., 30-059 Kraków (Poland); Przewoźnik, J.; Kapusta, C. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, Department of Solid State Physics, Al. Mickiewicza 30, 30-059 Krakow (Poland); Żywczak, A.; Stobiecki, T. [AGH University of Science and Technology, Department of Electronics, Al. Mickiewicza 30, 30-059 Kraków (Poland); Cesari, E. [Department de Fisica, Universitat de Illes Balears, Ctra. de Valldemossa, km 7.5, Palma de Mallorca E-07071 (Spain); Dutkiewicz, J. [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 W. Reymonta Str., 30-059 Kraków (Poland)

    2013-12-15

    Martensitic and magnetic transformations in Ni{sub 48}Mn{sub 39.5}Sn{sub 12.5−x}Al{sub x} (x=0, 1, 2, 3) Heusler alloy ribbons were investigated. It is demonstrated that both magnetic and structural transformations occur in all of the studied samples. It is also shown that substitution of Sn with Al causes the martensitic transformation (MT) and the reverse martensitic transformation (RMT) temperatures to increase to room temperature (ΔT{sub MT}=49 K; ΔT{sub RMT}=43 K), whereas the Curie temperature of martensite T{sub C}{sup M} decreases (ΔT=36 K) and the Curie temperature of austenite T{sub C}{sup A} remains practically insensitive to Al introduction. This then allows to tune T{sub C}{sup A} and the MT temperature leading to their coincidence at ambient temperature. The austenite phase with the L2{sub 1} type structure has been identified to exist in all the samples regardless of composition. On the other hand the structure of martensite has been shown to be sensitive to composition. It has been determined as the 10 M martensite with (32{sup ¯}) stacking sequence in Al free samples and the 4O martensite with the stacking periodicity (31{sup ¯}) in Al containing samples. In addition, the splitting of the field cooling (FC) and the field heating (FH) thermo-magnetic curves at low (50 Oe) magnetic field and below the T{sub C}{sup M} has been attributed to intermartensitic transition. The application of large magnetic field (50 kOe) has shown the existence of two distinct ferromagnetic states with a considerable hysteresis loop. The properties of these materials make them promising for magnetocaloric applications. - Highlights: • Al for Sn substituted Ni–Mn–Sn based ferromagnetic Heusler alloys were produced by melt spinning. • Martensitic, reverse martensitic and intermartensitic transformations were observed, their temperatures and magnitude changed with Al substitution. • Different types of martensite structures were identified depending on Al

  6. Interfacial Properties of an Ionic Liquid by Molecular Dynamics

    NARCIS (Netherlands)

    Heggen, B.; Zhao, W.; Leroy, F.; Dammers, A.T.; Müller-Plathe, F.

    2010-01-01

    We studied the influence of a liquid-vapor interface on dynamic properties like reorientation and diffusion as well as the surface tension of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) by molecular dynamics simulations. In the interfacial region, reorientation of

  7. Interfacial Properties of an Ionic Liquid by Molecular Dynamics

    NARCIS (Netherlands)

    Heggen, B.; Zhao, W.; Leroy, F.; Dammers, A.T.; Müller-Plathe, F.

    2010-01-01

    We studied the influence of a liquid-vapor interface on dynamic properties like reorientation and diffusion as well as the surface tension of the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) by molecular dynamics simulations. In the interfacial region, reorientation of

  8. Dynamic Properties of Offshore Wind Turbine Foundations

    DEFF Research Database (Denmark)

    Damgaard, Mads

    with static springs along the foundation and soil damping applied as modal damping. The methods, however, do not account for the dynamic stiffness due to inertia forces, and a welldefined representation of the dissipation effects in the soil is neglected. This in turn forms the basis of the current thesis...... that capture the most important effects of the dynamic wind turbine response. To overcome this, sequential or fully coupled aero-hydro-elastic simulations are often conducted where the soil–structure interaction is incorporated via the principle of an equivalent fixity depth or by a so-called Winkler approach...

  9. SOME DYNAMICAL PROPERTIES OF QUADRATIC RATIONAL MAPS

    Institute of Scientific and Technical Information of China (English)

    YINYONGCHENG

    1994-01-01

    This paper studies the dynamics of the analytic family z+1/z+b and describes the topology of the parameter space, structural stability and J-stability. The mapping class group of almost all maps of the above family is determined.

  10. Material properties under intensive dynamic loading

    CERN Document Server

    Cherne, Frank J; Zhernokletov, Mikhail V; Glushak, B L; Zocher, Marvin A

    2007-01-01

    Understanding the physical and thermomechanical response of materials subjected to intensive dynamic loading is a challenge of great significance in engineering today. This volume assumes the task of gathering both experimental and diagnostic methods in one place, since not much information has been previously disseminated in the scientific literature.

  11. The Electrical and Dynamical Properties of Biomembranes

    DEFF Research Database (Denmark)

    Mosgaard, Lars Dalskov

    into account the coupling between thermodynamical uctuations and the available heat reservoir. The next step is to combine the knowledge on lipid membranes subjected to an electrical eld with the knowledge on their relaxation behavior and use our understanding to attempt to re-evaluate the results of common......-dimensional layers are literally vital for the cell, as membranes work as catalysts for some of the main chemical reactions involved in cell survival and homeostasis and govern all communication between a cell and its surroundings. The focus of the work presented in this thesis is to understand how...... the physical properties of lipid membranes relate to the behavior and functional properties of biological membranes, with special attention to the role of biological membranes in nerve signal propagation. We start by exploring the properties of polar lipid membranes in order to tackle the problem...

  12. Polyunsaturation in lipid membranes: dynamic properties and lateral pressure profiles.

    Science.gov (United States)

    Ollila, Samuli; Hyvönen, Marja T; Vattulainen, Ilpo

    2007-03-29

    We elucidate the influence of unsaturation on single-component membrane properties, focusing on their dynamical aspects and lateral pressure profiles across the membrane. To this end, we employ atomistic molecular dynamics simulations to study five different membrane systems with varying degrees of unsaturation, starting from saturated membranes and systematically increasing the level of unsaturation, ending up with a bilayer of phospholipids containing the docosahexaenoic acid. For an increasing level of unsaturation, we find considerable effects on dynamical properties, such as accelerated dynamics of the phosphocholine head groups and glycerol backbones and speeded up rotational dynamics of the lipid molecules. The lateral pressure profile is found to be altered by the degree of unsaturation. For an increasing number of double bonds, the peak in the middle of the bilayer decreases. This is compensated for by changes in the membrane-water interface region in terms of increasing peak heights of the lateral pressure profile. Implications of the findings are briefly discussed.

  13. Dynamic properties of network motifs contribute to biological network organization.

    Directory of Open Access Journals (Sweden)

    Robert J Prill

    2005-11-01

    Full Text Available Biological networks, such as those describing gene regulation, signal transduction, and neural synapses, are representations of large-scale dynamic systems. Discovery of organizing principles of biological networks can be enhanced by embracing the notion that there is a deep interplay between network structure and system dynamics. Recently, many structural characteristics of these non-random networks have been identified, but dynamical implications of the features have not been explored comprehensively. We demonstrate by exhaustive computational analysis that a dynamical property--stability or robustness to small perturbations--is highly correlated with the relative abundance of small subnetworks (network motifs in several previously determined biological networks. We propose that robust dynamical stability is an influential property that can determine the non-random structure of biological networks.

  14. Dynamical Mechanical Properties for AD90 Alumina

    Institute of Scientific and Technical Information of China (English)

    REN Hui-lan; NING Jian-guo; LI Ping

    2007-01-01

    The dynamic response of polycrystalline alumina was investigated in the pressure range of 0 -13 GPa by planar impact experiments.Velocity interferometer system for any reflector(VISAR) was used to obtain free surface velocity profile and determine the Hugoniot elastic limit,and manganin gauges were employed to obtain the stress-time histories and determine Hugoniot curve.Both the free surface particle velocity profiles and Hugoniot curves indicate the dispersion of the "plastic" wave for alumina.With the measured stress histories,the complete histories of strain,particle velocity,specific volume and specific internal energy are gained by using path line principle of Lagrange analysis.The dynamic mechanical behaviors for alumina under impact loading are analyzed,such as nonlinear characteristic,strain rate dependence,dispersion and declination of shock wave in the material.

  15. Dynamical properties of the Lorentz gas

    Science.gov (United States)

    Sharma, K. C.; Ranganathan, S.; Egelstaff, P. A.; Soper, A. K.

    1987-07-01

    A Lorentz gas interacting with a Lennard-Jones (LJ) potential and obeying classical equations of motion has been simulated by the molecular-dynamics method. A system of 255 Ar particles and one H2 molecule at a reduced Ar density 0.413 and temperature 2.475 is simplified by allowing the ``argon'' to have infinite mass, and the hydrogen molecule interacts with Ar atoms via the LJ potential. The simulated incoherent dynamic structure factor Ss(Q,ω) for the hydrogen molecule, which is corrected for the rotational states, is found to be in reasonable agreement with the experimental data of Egelstaff et al. (unpublished). One-parameter phenomenological model calculations are also compared to these data.

  16. Dynamic Deformation Properties of Energetic Composite Materials

    Science.gov (United States)

    2005-04-01

    properties are close to that of pure beryllium ( Silversmith and Averbach 1970), but as far as we know no-one has acted on this suggestion. According to...J.L. (1998) "Analysis of load oscillations in instrumented impact testing" Engng Fract. Mech. 60 437-446 Silversmith , D.J. and Averbach, B.L. (1970

  17. Magneto-structural correlations in trinuclear Cu(II) complexes: a density functional study

    CERN Document Server

    Rodríguez-Forteá, A; Alvarez, S; Centre-De Recera-En-Quimica-Teorica; Alemany, P A; Centre-De Recera-En-Quimica-Teorica

    2003-01-01

    Density functional theoretical methods have been used to study magneto-structural correlations for linear trinuclear hydroxo-bridged copper(II) complexes. The nearest-neighbor exchange coupling constant shows very similar trends to those found earlier for dinuclear compounds for which the Cu-O-Cu angle and the out of plane displacement of the hydrogen atoms at the bridge are the two key structural factors that determine the nature of their magnetic behavior. Changes in these two parameters can induce variations of over 1000 cm sup - sup 1 in the value of the nearest-neighbor coupling constant. On the contrary, coupling between next-nearest neighbors is found to be practically independent of structural changes with a value for the coupling constant of about -60 cm sup - sup 1. The magnitude calculated for this coupling constant indicates that considering its value to be negligible, as usually done in experimental studies, can lead to considerable errors, especially for compounds in which the nearest-neighbor c...

  18. Magnetostructural transition behavior in Fe-doped Heusler Mn-Ni-In ribbon materials

    Science.gov (United States)

    Li, Hongwei; Fang, Yue; Feng, Shutong; Zhai, Qijie; Luo, Zhiping; Zheng, Hongxing

    2016-11-01

    In the present work, we investigated magnetostructural transition behavior in Mn-rich Heusler Mn50-xFexNi41In9 (x=0, 1, 2, 3 at%) ribbon materials. Microstructural observations showed that substituting Mn with Fe in Mn50Ni41In9 led to striking grain refinement from ∼50 μm to 5-10 μm, and formation of a secondary phase when Fe content was increased up to 2 at%. Differential scanning calorimetric and thermomagnetic measurements indicated that a paramagnetic→ferromagnetic transition in austenite occurred first, followed with a weak-magnetic martensitic transition upon cooling for the Mn50-xFexNi41In9 (x=0, 1, 2). In case of Mn47Fe3Ni41In9, the martensitic transformation happened between paramagnetic austenite and weak-magnetic martensite, without the presence of the magnetic transition in austenite. The effective refrigeration capacity of Mn49Fe1Ni41In9 reached 137.1 J kg-1 under a magnetic field change of 30 kOe.

  19. Doubly chloro bridged dimeric copper(II) complex: magneto-structural correlation and anticancer activity.

    Science.gov (United States)

    Sikdar, Yeasin; Modak, Ritwik; Bose, Dipayan; Banerjee, Saswati; Bieńko, Dariusz; Zierkiewicz, Wiktor; Bieńko, Alina; Das Saha, Krishna; Goswami, Sanchita

    2015-05-21

    We have synthesized and structurally characterized a new doubly chloro bridged dimeric copper(II) complex, [Cu2(μ-Cl)2(HL)2Cl2] (1) based on a Schiff base ligand, 5-[(pyridin-2-ylmethylene)-amino]-pentan-1-ol). Single crystal X-ray diffraction shows the presence of dinuclear copper(II) centres in a square pyramidal geometry linked by obtuse double chloro bridge. The magnetic study illustrated that weak antiferromagnetic interactions (J = -0.47 cm(-1)) prevail in complex 1 which is well supported by magneto-structural correlation. This compound adds to the library of doubly chloro bridged copper(ii) complexes in the regime of spin state cross over. DFT calculations have been conducted within a broken-symmetry (BS) framework to investigate the exchange interaction further which depicts that the approximate spin projection technique yields the best corroboration of the experimental J value. Spin density plots show the presence of an ∼0.52e charge residing on the copper atom along with a substantial charge on bridging and peripheral chlorine atoms. The potential of complex1 to act as an anticancer agent is thoroughly examined on a series of liver cancer cell lines and screening shows the HepG2 cell line exhibits maximum cytotoxicity by phosphatidyl serine exposure in the outer cell membrane associated with ROS generation and mitochondrial depolarization with increasing time in the in vitro model system.

  20. Dynamic properties of liquid Ni revisited

    Directory of Open Access Journals (Sweden)

    del Rio B. G.

    2017-01-01

    Full Text Available Liquid Ni has previously been studied by different approaches such as molecular dynamics simulations and experimental techniques including inelastic neutron and X-ray scattering. Although some puzzling results, such as the shape of the sound dispersion curve for q ≤ 1.0 Å−1, have already been sorted out, there still persist some discrepancies, among different studies, for greater q-values. We have performed ab initio simulation calculations which show how those differences can be reconciled. Moreover, we have found that the transverse current spectral functions have some features which, so far, had previously been shown by high pressure liquid metals.

  1. Dynamic Properties of Human Bronchial Airway Tissues

    CERN Document Server

    Wang, Jau-Yi; Pallai, Prathap; Corrigan, Chris J; Lee, Tak H

    2011-01-01

    Young's Modulus and dynamic force moduli were measured on human bronchial airway tissues by compression. A simple and low-cost system for measuring the tensile-strengh of soft bio-materials has been built for this study. The force-distance measurements were undertaken on the dissected bronchial airway walls, cartilages and mucosa from the surgery-removed lungs donated by lung cancer patients with COPD. Young's modulus is estimated from the initial slope of unloading force-displacement curve and the dynamic force moduli (storage and loss) are measured at low frequency (from 3 to 45 Hz). All the samples were preserved in the PBS solution at room temperature and the measurements were perfomed within 4 hours after surgery. Young's modulus of the human bronchial airway walls are fond ranged between 0.17 and 1.65 MPa, ranged between 0.25 to 1.96 MPa for cartilages, and between 0.02 to 0.28 MPa for mucosa. The storage modulus are found varying 0.10 MPa with frequency while the loss modulus are found increasing from ...

  2. Dynamic properties of power MOS transistors

    Science.gov (United States)

    Belabadia, Mohammed

    Power MOSFET's were modeled in dynamic high frequency and switching regimes, based on a theoretical analysis of the active region, taking into account the short channel effects and those related to structural configuration elements. The theoretical synthesis of intrinsic and parasitic elements leads to a complete nonlinear physical model compatible with electric simulators. The model is used for simulation and computer aided design of electric circuits which use power MOSFET's such as RF amplifiers, and frequency doublers. For the switching regime, a hierarchy of models for power V.DMOS transistors is developed. Two compact models consistent with SPICE-2 program and well suited for study and characterization of power V.DMOSFET, in switching condition under resistive and inductive loads, are proposed. They can describe low, medium, and high voltage structures.

  3. Dynamic mechanical properties of an inlay composite.

    Science.gov (United States)

    Dionysopoulos, P; Watts, D C

    1989-06-01

    A visible light-cured composite resin (Brilliant DI) has been studied over a wide range of temperature and frequency by a dynamic mechanical flexural method. The derived data of logarithmic modulus and loss tangent (tan delta) show considerable changes following a secondary-cure process applied to the material. This involved the application of heat and intense light with temperatures rising to 120 degrees C in 7 min. Following this oven-cure the resin phase exhibited enhanced stiffness with the activation-energy barrier for molecular motion at the glass-transition rising from 220 to 291 kJ/mol. This study clarifies the nature and extent of the internal molecular changes which may be produced in the fabrication of a composite inlay.

  4. Dynamic Properties of Fiber Reinforced Cement Mortar

    Institute of Scientific and Technical Information of China (English)

    唐志平; 徐松林; 胡晓军; 廖香丽; 蔡建

    2004-01-01

    Based on the shear wave tracing(SWT) technique proposed by Tang Z P, particle velocity gauge and the dual internal measurement for pressure and shear waves (IMPS) system are applied to investigate the responses of fiber reinforced cement subjected to impact loading. Series of experiments are conducted. The results show that there exist four critical points, A, B, C, D, in p-V Hugoniot curves. They correspond to the Hugoniot elastic limit (HEL) of the material, the critical point for shear strength limit and transition from damage state to failure state, void collapse, and solid compression, respectively. The critical point B is difficult to be aware of and never reported. However, it can be clearly disclosed with SWT method. Based on the analyses of shear strength, it can be concluded that the transversal wave, especially the unloading transversal wave, is especially important for the dynamic damage investigation of brittle materials.

  5. Peculiar dynamical properties of plutonium hydrides

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    In the present work, the structure and spectra of PuH and PuH2 are defined by B3LYP/SDD method, from which the analytic potential energy function of PuH2 is derived. The analysis of quasi-classical molecular reaction dynamics is performed to study the state-state process of pu(7Fg) + H2(X1∑+g ). It is found that the reaction pu(7Fg) + H2(X1∑+g )→PuH2(X7B1) has no threshold. The simultaneous hydrogenation process of plutonium with the main product of PuH2 is theoretically proved for the first time.

  6. Molecular Dynamics Simulation on thermodynamic Properties and Transport Coefficients

    Institute of Scientific and Technical Information of China (English)

    D.X.Xiong

    1996-01-01

    Moecular dynamics simulation (MDS) is used to study the thermodynamic properties and transport coefficients of an argon system with Lennend-Jones potential.The results on the velocity distribution,mean free path,mean collison time,specific heat and self0diffusion coefficient agree well with the existing theoretical /experimental data,It shows that molecular dynamics method is another bridge to connect microworld and macreoworld.

  7. OPTICAL AND DYNAMIC PROPERTIES OF UNDOPED AND DOPED SEMICONDUCTOR NANOSTRUCTURES

    Energy Technology Data Exchange (ETDEWEB)

    Grant, C D; Zhang, J Z

    2007-09-28

    This chapter provides an overview of some recent research activities on the study of optical and dynamic properties of semiconductor nanomaterials. The emphasis is on unique aspects of these properties in nanostructures as compared to bulk materials. Linear, including absorption and luminescence, and nonlinear optical as well as dynamic properties of semiconductor nanoparticles are discussed with focus on their dependence on particle size, shape, and surface characteristics. Both doped and undoped semiconductor nanomaterials are highlighted and contrasted to illustrate the use of doping to effectively alter and probe nanomaterial properties. Some emerging applications of optical nanomaterials are discussed towards the end of the chapter, including solar energy conversion, optical sensing of chemicals and biochemicals, solid state lighting, photocatalysis, and photoelectrochemistry.

  8. Dynamic properties of the posterior cricoarytenoid muscle.

    Science.gov (United States)

    Cooper, D S; Shindo, M; Sinha, U; Hast, M H; Rice, D H

    1994-12-01

    The aim of this research was to investigate the contractile properties of the posterior cricoarytenoid (PCA) muscle. Simultaneous measurements were made of the isometric force, temperature, and electromyographic activity of the dorsal cricoarytenoid muscle of anesthetized dogs during supramaximal stimulation of the recurrent laryngeal nerve for twitch and tetanic contraction. The conduction delay between stimulation of the recurrent nerve at the level of the larynx and the onset of the muscle action potential averaged 2.0 +/- 0.2 milliseconds (ms), and the latent period between the onset of electrical activity of the muscle and the onset of contraction had a mean duration of 3.3 +/- 0.8 ms. The mean of isometric contraction times found was 33.3 +/- 2.0 ms, shorter than most previous studies of canine PCA muscle. Tetanic frequency defined as smooth contraction was higher than previous estimates. Considerations of scaling of physiological time based on animal mass were applied to analysis of the experimental findings to make possible systematic comparison of previous findings across species and animal size.

  9. Theory of static and dynamic properties of Gd

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker

    1986-01-01

    Gadolinium is a Heisenberg magnet intermediate between the localized EuO and the itinerant Fe and Ni. The authors develop a correlation theory for Gd and calculate self-consistently both static and dynamic properties. One finds that the high frequency spin waves persist for T>Tc. The static...

  10. Emergent Properties in Natural and Artificial Dynamical Systems

    CERN Document Server

    Aziz-Alaoui, M.A

    2006-01-01

    An important part of the science of complexity is the study of emergent properties arising through dynamical processes in various types of natural and artificial systems. This is the aim of this book, which is the outcome of a discussion meeting within the first European conference on complex systems. It presents multidisciplinary approaches for getting representations of complex systems and using different methods to extract emergent structures. This carefully edited book studies emergent features such as self organization, synchronization, opening on stability and robustness properties. Invariant techniques are presented which can express global emergent properties in dynamical and in temporal evolution systems. This book demonstrates how artificial systems such as a distributed platform can be used for simulation used to search emergent placement during simulation execution.

  11. Direct in situ measurement of coupled magnetostructural evolution in a ferromagnetic shape memory alloy and its theoretical modeling

    Energy Technology Data Exchange (ETDEWEB)

    Pramanick, Abhijit [University of Hong Kong, China; Glavic, Artur G [ORNL; Samolyuk, German D [ORNL; Aczel, Adam A [ORNL; Lauter, Valeria [ORNL; Ambaye, Haile Arena [ORNL; Gai, Zheng [ORNL; Ma, Jie [ORNL; Stoica, Alexandru Dan [ORNL; Stocks, George Malcolm [ORNL; Wimmer, Sebastian [Ludwig Maximilian University of Munich, Germany; Shapiro, S. M. [Brookhaven National Laboratory (BNL); Wang, Xun-Li [ORNL

    2015-10-14

    Ferromagnetic shape memory alloys (FSMAs) have shown great potential as active components in next generation smart devices due to their exceptionally large magnetic-field-induced strains and fast response times. During application of magnetic fields in FSMAs, as is common in several magnetoelastic smart materials, there occurs simultaneous rotation of magnetic moments and reorientation of twin variants, resolving which, although critical for design of new materials and devices, has been difficult to achieve quantitatively with current characterization methods. At the same time, theoretical modeling of these phenomena also faced limitations due to uncertainties in values of physical properties such as magnetocrystalline anisotropy energy (MCA), especially for off-stoichiometric FSMA compositions. Here, in situ polarized neutron diffraction is used to measure directly the extents of both magnetic moments rotation and crystallographic twin-reorientation in an FSMA single crystal during the application of magnetic fields. Additionally, high-resolution neutron scattering measurements and first-principles calculations based on fully relativistic density functional theory are used to determine accurately the MCA for the compositionally disordered alloy of Ni2Mn1.14Ga0.86. The results from these state-of-the-art experiments and calculations are self-consistently described within a phenomenological framework, which provides quantitative insights into the energetics of magnetostructural coupling in FSMAs. Furthermore, based on the current model, the energy for magnetoelastic twin boundaries propagation for the studied alloy is estimated to be ~150 kJ/m3 .

  12. Effects of Fibers on the Dynamic Properties of Asphalt Mixtures

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The dynamic characteristics of fiber-modified asphalt mixture were investigated. Cellulose fiber, polyester fiber and mineral fiber were used as additives for asphalt mixture, and the dosage was 0.3%, 0.3%,0.4%, respectively. Dynamic modulus test using SuperPave simple performance tester (SPT) was conducted to study the dynamic modulus (E*) and phase angle (δ) for the control asphalt mixture and fiber-modified ones at various temperatures and frequencies. Experimental results show that all fiber-modified asphalt mixtures have higher dynamic modulus compared with control mixture. The dynamic modulus master curves of each type of asphalt mixtures are determined based on nonlinear least square regression in accordance with the timetemperature superposition theory at a control temperature (21.1 ℃). The fatigue parameter E*×sinδ and rutting parameter E*/sinδ of asphalt mixture are adopted to study the fatigue and rutting-resistance properties, and experimental results indicate that such properties can be improved by fiber additives.

  13. Evolution properties of the community members for dynamic networks

    Science.gov (United States)

    Yang, Kai; Guo, Qiang; Li, Sheng-Nan; Han, Jing-Ti; Liu, Jian-Guo

    2017-03-01

    The collective behaviors of community members for dynamic social networks are significant for understanding evolution features of communities. In this Letter, we empirically investigate the evolution properties of the new community members for dynamic networks. Firstly, we separate data sets into different slices, and analyze the statistical properties of new members as well as communities they joined in for these data sets. Then we introduce a parameter φ to describe community evolution between different slices and investigate the dynamic community properties of the new community members. The empirical analyses for the Facebook, APS, Enron and Wiki data sets indicate that both the number of new members and joint communities increase, the ratio declines rapidly and then becomes stable over time, and most of the new members will join in the small size communities that is s ≤ 10. Furthermore, the proportion of new members in existed communities decreases firstly and then becomes stable and relatively small for these data sets. Our work may be helpful for deeply understanding the evolution properties of community members for social networks.

  14. The scaling properties of dynamical fluctuations in temporal networks

    CERN Document Server

    Chi, Liping

    2015-01-01

    The factorial moments analyses are performed to study the scaling properties of the dynamical fluctuations of contacts and nodes in temporal networks based on empirical data sets. The intermittent behaviors are observed in the fluctuations for all orders of the moments. It indicates that the interaction has self-similarity structure in time interval and the fluctuations are not purely random but dynamical and correlated. The scaling exponents for contacts in Prostitution data and nodes in Conference data are very close to that for 2D Ising model undergoing a second-order phase transition.

  15. The fluorescence and dynamics properties in phenoxy-phthalocyanines liquid

    Science.gov (United States)

    Yao, Cheng-Bao; Yan, Xiao-Yan; Tan, Ming-Yue; Li, Jin; Sun, Wen-Jun; Yang, Shou-Bin

    2015-06-01

    We investigated the one/two-photon fluorescence and excited state dynamics properties of two synthesized phenoxy-phthalocyanines (Pc1 and Pc2) using mild reaction coordination method. The results show that the fast decay component in the time-resolved fluorescence technique dynamics comes from the intramolecular vibrational relaxation, the slower ones from the internal conversion. Furthermore, in comparison with one-photon fluorescence spectra, the red shift of two-photon fluorescence spectra can be explained by the reabsorption effect of molecules. The samples are expected to be a potential candidate for optical applications and photodynamic therapy.

  16. Dynamic properties of fuzzy Petri net model and related analysis

    Institute of Scientific and Technical Information of China (English)

    周恺卿; Azlan Mohd Zain; 莫礼平

    2015-01-01

    Fuzzy Petri net (FPN) has been extensively applied in industrial fields for knowledge-based systems or systems with uncertainty. Although the applications of FPN are known to be successful, the theoretical research of FPN is still at an initial stage. To pave a way for further study, this work explores related dynamic properties of FPN including reachability, boundedness, safeness, liveness and fairness. The whole methodology is divided into two phases. In the first phase, a comparison between elementary net system (EN_system) and FPN is established to prove that the FPN is an extensive formalism of Petri nets using a backwards-compatible extension method. Next, current research results of dynamic properties are utilized to analyze FPN model. The results illustrate that FPN model is bounded, safe, weak live and fair, and can support theoretical evidences for designing related decomposition algorithm.

  17. Nonlinear Analyses of the Dynamic Properties of Hydrostatic Bearing Systems

    Institute of Scientific and Technical Information of China (English)

    LIU Wei(刘伟); WU Xiujiang(吴秀江); V.A. Prokopenko

    2003-01-01

    Nonlinear analyses of hydrostatic bearing systems are necessary to adequately model the fluid-solid interaction. The dynamic properties of linear and nonlinear analytical models of hydrostatic bearings are compared in this paper. The analyses were based on the determination of the aperiodic border of transient processes with external step loads. The results show that the dynamic properties can be most effectively improved by increasing the hydrostatic bearing crosspiece width and additional pocket volume in a bearing can extend the load range for which the transient process is aperiodic, but an additional restrictor and capacitor (RC) chain must be introduced for increasing damping. The nonlinear analyses can also be used to predict typical design parameters for a hydrostatic bearing.

  18. Comparison of static and dynamic properties in a shale rock

    Science.gov (United States)

    Bonnelye, Audrey; Pimienta, Lucas; Schubnel, Alexandre; David, Christian

    2017-04-01

    When trying to understand the elastic properties of rocks in order to ultimately compare laboratory and field data, two opposite measuring techniques can be used: the "static" and "dynamic" measurement techniques. The "static" measurement technique consists in characterising the medium by its strain response to an applied stress. The strain rate is generally low enough that the measurement can be addressed as static. Using ultrasonic wave velocity, the "dynamic" measurements are obtained. Those allow obtaining accurately the full set of elastic constants characterising the medium. However, such measuring procedure is at high frequency, implying the risk for dispersion and attenuation effects to occur. When comparing the "static" and "dynamic" measurements, and investigating their differences, the effect of the measuring frequency is often the parameter considered. However, it is not the only parameter that may play a role. Indeed, often, "static" measurements rely on strain amplitudes above 10-4. On the other hand, "dynamic" measurements rely on strain amplitudes below 10-6. Such difference may play an important role in comparing measurements in weak materials such as shales. For this particular rock, the effect of strain amplitude on the "static" measurements is investigated by decreasing the amplitude of stress variations. Moreover, due to both multiscale and sedimentary nature, shale materials can exhibit strong anisotropic properties, usually described as transversly isotropic. In this study we propose to compare the different ways of measuring elastic moduli of Tournemire shale (IRSN underground laboratory, Aveyron, Southern France). In a first part, static moduli were calculated on three sets of samples with different bedding orientations (90°, 0°, 45°) deformed under deviatoric pressure at different confining pressures (2.5, 5, 10, 20, 40, 80MPa). During these deformation experiments, elastic wave velocities were continuously measured along different

  19. Dynamics of intrinsic electrophysiological properties in spinal cord neurones

    DEFF Research Database (Denmark)

    Russo, R E; Hounsgaard, J

    1999-01-01

    . The intrinsic response properties of spinal neurones--determined by the particular set and distribution of voltage sensitive channels and their dynamic non-linear interactions--show a high degree of functional specialisation as reflected by the differences of intrinsic response patterns in different cell types....... Specialised, cell specific electrophysiological phenotypes gradually differentiate during development and are continuously adjusted in the adult animal by metabotropic synaptic interactions and activity-dependent plasticity to meet a broad range of functional demands....

  20. A DYNAMIC EVALUATION MODEL OF MINERAL RESOURCE PROPERTY

    Institute of Scientific and Technical Information of China (English)

    芮建伟; 冯志亮

    2000-01-01

    Based on the value theory of mineral resource, a dynamic evaluation model of mineral resource property is erected, which not only takes the factors of extractions into consideration but also those of explorations. The solution process of the model is described and the differential solution is presented. Then the paper comes to the conclusion that the differential solution is also the optimal depletion path of the resource.

  1. ASSESSMENT OF THE DYNAMIC PROPERTIES OF PLAIN AND RUBBERIZED CONCRETE

    Directory of Open Access Journals (Sweden)

    Ionuţ Ovidiu TOMA

    2015-11-01

    Full Text Available The use of rubber from discarded car tires as an alternative to natural aggregates in concrete may help preventing the complete depletion of natural resources and work towards a sustainable future. Moreover it can significantly reduce the environmental footprint of the construction industry. The assessment of the dynamic properties of a material are very important from the point of view of the energy dissipation capability of the investigated material. This can be determined from the dynamic modulus of elasticity, damping and the loss coefficients of the material. The paper presents the results obtained during an experimental program aimed at assessing the dynamic characteristics of plain and rubberized concrete containing rubber crumbs from discarded car tires. The theoretical background and the investigation methodology are presented with particular application to cylindrical concrete specimens.

  2. Characterisation of Dynamic Mechanical Properties of Resistance Welding Machines

    DEFF Research Database (Denmark)

    Wu, Pei; Zhang, Wenqi; Bay, Niels

    2005-01-01

    The dynamic mechanical properties of a resistance welding machine have significant influence on weld quality, which must be considered when simulating the welding process numerically. However, due to the complexity of the machine structure and the mutual coupling of components of the machine system...... characterizing the dynamic mechanical characteristics of resistance welding machines is suggested, and a test set-up is designed determining the basic, independent machine parameters required in the model. The model is verified by performing a series of mechanical tests as well as real projection welds......., it is very difficult to measure or calculate the basic, independent machine parameters required in a mathematical model of the machine dynamics, and no test method has so far been presented in literature, which can be applied directly in an industrial environment. In this paper, a mathematical model...

  3. Dynamical topology and statistical properties of spatiotemporal chaos.

    Science.gov (United States)

    Zhuang, Quntao; Gao, Xun; Ouyang, Qi; Wang, Hongli

    2012-12-01

    For spatiotemporal chaos described by partial differential equations, there are generally locations where the dynamical variable achieves its local extremum or where the time partial derivative of the variable vanishes instantaneously. To a large extent, the location and movement of these topologically special points determine the qualitative structure of the disordered states. We analyze numerically statistical properties of the topologically special points in one-dimensional spatiotemporal chaos. The probability distribution functions for the number of point, the lifespan, and the distance covered during their lifetime are obtained from numerical simulations. Mathematically, we establish a probabilistic model to describe the dynamics of these topologically special points. In spite of the different definitions in different spatiotemporal chaos, the dynamics of these special points can be described in a uniform approach.

  4. Dynamic properties of epidemic spreading on finite size complex networks

    Institute of Scientific and Technical Information of China (English)

    Li Ying; Liu Yang; Shan Xiu-Ming; Ren Yong; Jiao Jian; Qiu Ben

    2005-01-01

    The Internet presents a complex topological structure, on which computer viruses can easily spread. By using theoretical analysis and computer simulation methods, the dynamic process of disease spreading on finite size networks with complex topological structure is investigated. On the finite size networks, the spreading process of SIS (susceptibleinfected-susceptible) model is a finite Markov chain with an absorbing state. Two parameters, the survival probability and the conditional infecting probability, are introduced to describe the dynamic properties of disease spreading on finite size networks. Our results can help understanding computer virus epidemics and other spreading phenomena on communication and social networks. Also, knowledge about the dynamic character of virus spreading is helpful for adopting immunity policy.

  5. Characterisation of Dynamic Mechanical Properties of Resistance Welding Machines

    DEFF Research Database (Denmark)

    Wu, Pei; Zhang, Wenqi; Bay, Niels

    2005-01-01

    The dynamic mechanical properties of a resistance welding machine have significant influence on weld quality, which must be considered when simulating the welding process numerically. However, due to the complexity of the machine structure and the mutual coupling of components of the machine system......, it is very difficult to measure or calculate the basic, independent machine parameters required in a mathematical model of the machine dynamics, and no test method has so far been presented in literature, which can be applied directly in an industrial environment. In this paper, a mathematical model...... characterizing the dynamic mechanical characteristics of resistance welding machines is suggested, and a test set-up is designed determining the basic, independent machine parameters required in the model. The model is verified by performing a series of mechanical tests as well as real projection welds....

  6. Dynamic properties of three-dimensional piezoelectric Kagome grids

    Science.gov (United States)

    Wu, Zhi-Jing; Li, Feng-Ming

    2015-07-01

    Piezoelectric Kagome grids can be considered as a kind of functional material because they have vibration isolation performance and can transform mechanical energy to electric energy. In this study, the dynamic properties of three-dimensional (3D) piezoelectric Kagome grids without and with material defects are studied based on the frequency-domain responses. The spectral element method (SEM) is adopted to solve a 3D piezoelectric beam which contains bending components in two planes, tensional components, and torsional components. The dynamic stiffness matrix of a spectral piezoelectric beam is derived. Highly accurate solutions in the frequency-domain are obtained by solving the equation of motion of the whole structure. Compared with the results from the FEM and those in the existing literature, it can be seen that the SEM can be effectively used to study the 3D piezoelectric Kagome grids. The band-gap properties of Kagome grid and defect state properties of Kagome grid with material defects are analyzed. The effect of the piezoelectric parameter on the band-gap property is investigated further.

  7. Striking dynamics and kinetic properties of boxing and MMA gloves

    Directory of Open Access Journals (Sweden)

    Benjamin Lee

    2014-08-01

    Full Text Available With the growing popularity of Mixed Martial Arts (MMA as a competitive sport, questions regarding the dynamic response and properties of MMA gloves arise. High-energy impacts from punches are very similar to boxing yet MMA competition requires the use of 4 oz fingerless glove, compared to the larger full enclosure boxing glove. This work assessed the kinetic properties and strike dynamics of MMA gloves and compared findings with traditional boxing gloves. Gloves mounted on a molded fist were impacted repetitively on an instrumental anvil designed for impact, over a 5 hour period resulting in 10,000 continuous and consistent strikes. Kinetic data from impacts were sampled at the beginning of the data collection and subsequently every 30 minutes (every 1,000 strikes. MMA gloves produced 4-5 times greater peak force and 5 times faster load rate compared to the boxing glove. However, MMA gloves also showed signs of material fatigue, with peak force increasing by 35% and rate of loading increasing by 60% over the duration of the test. Boxing glove characteristics did deteriorate but to a lesser extent. In summary, the kinetic properties of MMA glove differed substantially from the boxing glove resulting in impacts characterized by higher peak forces and more rapid development of force. Material properties including stiffness and thickness play a role in the kinetic characteristics upon impact, and can be inferred to alter injury mechanisms of blunt force trauma.

  8. Criticality in conserved dynamical systems: Experimental observation vs. exact properties

    Science.gov (United States)

    Marković, Dimitrije; Gros, Claudius; Schuelein, André

    2013-03-01

    Conserved dynamical systems are generally considered to be critical. We study a class of critical routing models, equivalent to random maps, which can be solved rigorously in the thermodynamic limit. The information flow is conserved for these routing models and governed by cyclic attractors. We consider two classes of information flow, Markovian routing without memory and vertex routing involving a one-step routing memory. Investigating the respective cycle length distributions for complete graphs, we find log corrections to power-law scaling for the mean cycle length, as a function of the number of vertices, and a sub-polynomial growth for the overall number of cycles. When observing experimentally a real-world dynamical system one normally samples stochastically its phase space. The number and the length of the attractors are then weighted by the size of their respective basins of attraction. This situation is equivalent, for theory studies, to "on the fly" generation of the dynamical transition probabilities. For the case of vertex routing models, we find in this case power law scaling for the weighted average length of attractors, for both conserved routing models. These results show that the critical dynamical systems are generically not scale-invariant but may show power-law scaling when sampled stochastically. It is hence important to distinguish between intrinsic properties of a critical dynamical system and its behavior that one would observe when randomly probing its phase space.

  9. Criticality in conserved dynamical systems: experimental observation vs. exact properties.

    Science.gov (United States)

    Marković, Dimitrije; Gros, Claudius; Schuelein, André

    2013-03-01

    Conserved dynamical systems are generally considered to be critical. We study a class of critical routing models, equivalent to random maps, which can be solved rigorously in the thermodynamic limit. The information flow is conserved for these routing models and governed by cyclic attractors. We consider two classes of information flow, Markovian routing without memory and vertex routing involving a one-step routing memory. Investigating the respective cycle length distributions for complete graphs, we find log corrections to power-law scaling for the mean cycle length, as a function of the number of vertices, and a sub-polynomial growth for the overall number of cycles. When observing experimentally a real-world dynamical system one normally samples stochastically its phase space. The number and the length of the attractors are then weighted by the size of their respective basins of attraction. This situation is equivalent, for theory studies, to "on the fly" generation of the dynamical transition probabilities. For the case of vertex routing models, we find in this case power law scaling for the weighted average length of attractors, for both conserved routing models. These results show that the critical dynamical systems are generically not scale-invariant but may show power-law scaling when sampled stochastically. It is hence important to distinguish between intrinsic properties of a critical dynamical system and its behavior that one would observe when randomly probing its phase space.

  10. Magnetostructural martensitic transformations with large volume changes and magneto-strains in all-d-metal Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Z. Y.; Liu, E. K., E-mail: ekliu@iphy.ac.cn; Xi, X. K.; Zhang, H. W.; Wang, W. H.; Wu, G. H. [State Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Li, Y. [State Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Han, X. L.; Du, Z. W. [National Center of Analysis and Testing for Nonferrous Metals and Electronic Materials, General Research Institute for Nonferrous Metals, Beijing 100088 (China); Luo, H. Z.; Liu, G. D. [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China)

    2016-08-15

    The all-d-metal Mn{sub 2}-based Heusler ferromagnetic shape memory alloys Mn{sub 50}Ni{sub 40−x}Co{sub x}Ti{sub 10} (x = 8 and 9.5) are realized. With a generic comparison between d-metal Ti and main-group elements in lowering the transformation temperature, the magnetostructural martensitic transformations are established by further introducing Co to produce local ferromagnetic Mn-Co-Mn configurations. A 5-fold modulation and (3, −2) stacking of [00 10] of martensite are determined by X-ray diffraction and HRTEM analysis. Based on the transformation, a large magneto-strain of 6900 ppm and a large volume change of −2.54% are observed in polycrystalline samples, which makes the all-d-metal magnetic martensitic alloys of interest for magnetic/pressure multi-field driven applications.

  11. Magnetostructural transitions in Mn-rich Heusler Mn–Ni–In melt-spun ribbons with enhanced magnetocaloric effect

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hongwei; Feng, Shutong; Ren, Jian [State Key Laboratory of Advanced Special Steels, Shanghai University, Shanghai 200072 (China); Laboratory for Microstructures, Shanghai University, Shanghai 200072 (China); Zhai, Qijie; Fu, Jianxun [State Key Laboratory of Advanced Special Steels, Shanghai University, Shanghai 200072 (China); Luo, Zhiping [Department of Chemistry and Physics, Fayetteville State University, Fayetteville, NC 28301 (United States); Zheng, Hongxing, E-mail: hxzheng@shu.edu.cn [State Key Laboratory of Advanced Special Steels, Shanghai University, Shanghai 200072 (China); Laboratory for Microstructures, Shanghai University, Shanghai 200072 (China)

    2015-10-01

    The magnetostructural transition behavior and magnetocaloric effect of Mn-rich Heusler Mn–Ni–In melt-spun ribbons have been investigated in the present study. Experimental results showed that the martensitic transition temperatures decreased by substituting small amounts of Ni with Mn in Mn{sub 49+x}Ni{sub 42−x}In{sub 9} (x=0,1,2). Within a temperature range from 100 K to 380 K, the Mn{sub 49}Ni{sub 41}In{sub 9} underwent a martensitic transformation from a paramagnetic L2{sub 1}-type cubic austenite to a ferromagnetic modulated fourteen-layered monoclinic (14M) martensite, followed with a ferromagnetic→weak-magnetic transition in martensite upon cooling. While for both Mn{sub 50}Ni{sub 41}In{sub 9} and Mn{sub 51}Ni{sub 40}In{sub 9}, the paramagnetic→ferromagnetic transition in austenite occurred prior to the martensitic transformation upon cooling. Under a magnetic field change of 30 kOe, the maximum magnetic entropy changes of the Mn{sub 50}Ni{sub 41}In{sub 9} melt-spun ribbons were found to be 5.7 J/kg K and −2.3 J/kg K in the vicinity of martensitic transformation and magnetic transition of austenite, respectively. An enhanced total effective refrigeration capacity as high as 184.2 J/kg was obtained in the Mn{sub 50}Ni{sub 41}In{sub 9} melt-spun ribbons. - Highlights: • Mn-rich Heusler Mn–Ni–In melt-spun ribbons were investigated in the present study. • The compositional dependence on the magnetostructural transition behavior was clarified. • An enhanced refrigeration capacity as high as 184.2 J/kg was obtained in Mn{sub 50}Ni{sub 41}In{sub 9}.

  12. Calculated disturbances for evaluation of dynamical properties of freight cars

    Directory of Open Access Journals (Sweden)

    I.A. Mashchenko

    2013-08-01

    Full Text Available Purpose. To form realizations of the calculated disturbances for studying the dynamic properties of railway vehicles. Methodology. Records of the track-test car for one of the typical track sections of the Pridneprovsk railroad are the basic data for building the disturbance components. To derive the true geometric parameters of the railway gauge the records of the track-test car using a double-point metering circuit are transformed considering the transfer function of the measuring system. A model of the calculated disturbances is presented as the four components: a symmetric vertical irregularity determined as a semi-sum of vertical irregularities of the right and left rails; an oblique-symmetric vertical irregularity of the track determined as a semi-difference of vertical irregularities of the right and left rails; horizontal irregularities of the right and left rails. Acceptability criterion of the constructed disturbances is a relationship between the values of the dynamical properties factors of cars and the corresponding experimental data. Findings. The three techniques for the calculated disturbances forming are proposed. The first technique uses records of the track-test car for the track with a sufficiently high amount for given track conditions as components of the calculated disturbances. In so doing symmetrical vertical components of disturbances resulting from records of settling are corrected with the mass and stiffness parameters of the car under consideration. The second technique uses building and applying the theoretical realizations of irregularities corresponding to a real track according to a spectral analysis. The third technique ensures a polyharmonic model of disturbances, the parameters of which are the values of the basic frequencies and amplitudes that are typical for irregularities of a railway track. A possibility of practical applying of the constructed models of disturbances are presented using an example for

  13. Dynamic Colour Possibilities and Functional Properties of Thermochromic Printing Inks

    Directory of Open Access Journals (Sweden)

    Rahela Kulcar

    2012-07-01

    Full Text Available Thermochromic printing inks change their colour regarding the change in temperature and they are one of the major groups of colour-changing inks. One of the most frequently used thermochromic material in printing inks are leuco dyes. The colour of thermochromic prints is dynamic, it is not just temperature-dependent, but it also depends on thermal history. The effect is described by colour hysteresis. This paper aims at discussing general aspects of thermochromic inks, dynamic colorimetric properties of leuco dye-based thermochromic inks, their stability and principle of variable-temperature colour measurement. Thermochromic material is protected in round-shaped capsules. They are much larger than pigments in conventional inks. The polymer envelopes of pigment capsules are more stable against oxidation than the binder. If these envelopes are damaged, the dynamic colour is irreversibly lost. Our aim is to analyse the colorimetric properties of several reversible screen-printed UV-curing leuco dye thermochromic inks with different activation temperatures printed on paper. A small analysis of irreversible thermochromic inks will be presented for comparison with reversible thermochromic inks. Moreover, so as to show interesting possibilities, a combination of different inks was made, an irreversible thermochromic ink was printed on top of the red and blue reversible thermochromic inks. Special attention was given to the characterization of colour hysteresis and the meaning of activation temperature.

  14. Optical properties of X-rays--dynamical diffraction.

    Science.gov (United States)

    Authier, André

    2012-01-01

    The first attempts at measuring the optical properties of X-rays such as refraction, reflection and diffraction are described. The main ideas forming the basis of Ewald's thesis in 1912 are then summarized. The first extension of Ewald's thesis to the X-ray case is the introduction of the reciprocal lattice. In the next step, the principles of the three versions of the dynamical theory of diffraction, by Darwin, Ewald and Laue, are given. It is shown how the comparison of the dynamical and geometrical theories of diffraction led Darwin to propose his extinction theory. The main optical properties of X-ray wavefields at the Bragg incidence are then reviewed: Pendellösung, shift of the Bragg peak, fine structure of Kossel lines, standing waves, anomalous absorption, paths of wavefields inside the crystal, Borrmann fan and double refraction. Lastly, some of the modern applications of the dynamical theory are briefly outlined: X-ray topography, location of adsorbed atoms at crystal surfaces, optical devices for synchrotron radiation and X-ray interferometry.

  15. Structural and Dynamical Properties of Polyethylene/Graphene Nanocomposites through Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    Anastassia N. Rissanou

    2015-02-01

    Full Text Available Detailed atomistic (united atoms molecular dynamics simulations of several graphene based polymer (polyethylene, PE nanocomposite systems have been performed. Systems with graphene sheets of different sizes have been simulated at the same graphene concentration (~3%. In addition, a periodic graphene layer (“infinite sheet” has been studied. Results concerning structural and dynamical properties of PE chains are presented for the various systems and compared to data from a corresponding bulk system. The final properties of the material are the result of a complex effect of the graphene’s sheet size, mobility and fluctuations. A detailed investigation of density, structure and dynamics of the hybrid systems has been conducted. Particular emphasis has been given in spatial heterogeneities due to the PE/graphene interfaces, which were studied through a detailed analysis based on radial distances form the graphene’s center-of-mass. Chain segmental dynamics is found to be slower, compared to the bulk one, at the PE/graphene interface by a factor of 5 to 10. Furthermore, an analysis on the graphene sheets characteristics is presented in terms of conformational properties (i.e., wrinkling and mobility.

  16. Stochastic dynamics of penetrable rods in one dimension: Entangled dynamics and transport properties

    Energy Technology Data Exchange (ETDEWEB)

    Craven, Galen T.; Popov, Alexander V.; Hernandez, Rigoberto, E-mail: hernandez@chemistry.gatech.edu [Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States)

    2015-04-21

    The dynamical properties of a system of soft rods governed by stochastic hard collisions (SHCs) have been determined over a varying range of softness using molecular dynamics simulations in one dimension and analytic theory. The SHC model allows for interpenetration of the system’s constituent particles in the simulations, generating overlapping clustering behavior analogous to the spatial structures observed in systems governed by deterministic bounded potentials. Through variation of an assigned softness parameter δ, the limiting ranges of intermolecular softness are bridged, connecting the limiting ensemble behavior from hard to ideal (completely soft). Various dynamical and structural observables are measured from simulation and compared to developed theoretical values. The spatial properties are found to be well predicted by theories developed for the deterministic penetrable-sphere model with a transformation from energetic to probabilistic arguments. While the overlapping spatial structures are complex, the dynamical properties can be adequately approximated through a theory built on impulsive interactions with Enskog corrections. Our theory suggests that as the softness of interaction is varied toward the ideal limit, correlated collision processes are less important to the energy transfer mechanism, and Markovian processes dominate the evolution of the configuration space ensemble. For interaction softness close to hard limit, collision processes are highly correlated and overlapping spatial configurations give rise to entanglement of single-particle trajectories.

  17. Tuning the composition and magnetostructure of dysprosium iron garnets by Co-substitution: An XRD, FT-IR, XPS and VSM study

    Energy Technology Data Exchange (ETDEWEB)

    Tholkappiyan, R.; Vishista, K., E-mail: raovishista@gmail.com

    2015-10-01

    Graphical abstract: - Highlights: • Garnet type Dy{sub 3}Fe{sub 5−x}Co{sub x}O{sub 12} (x = 0–0.06) nanoparticles were synthesized by glycine assisted combustion method. • To investigate and confirm the phases in the synthesized ferrite nanoparticles by FT-IR and XRD analysis. • To investigate the compositional and oxidation state of the samples by X-ray photoelectron spectroscopy. • The detailed core level spectra of Dy 4d, Fe 2p, Co 2p and O 1s were analyzed using XPS. • The magnetic property was studied by VSM technique. - Abstract: We report the Co-substituting on the synthesis and properties of garnet type dysprosium ferrite nanoparticles by basic composition Dy{sub 3}Fe{sub 5−x}Co{sub x}O{sub 12} (x = 0–0.06) synthesized through glycine assisted combustion method. A possible formation mechanism of synthesized Dy{sub 3}Fe{sub 5−x}Co{sub x}O{sub 12} samples by controlling the synthesis process has been proposed. XRD, FT-IR, XPS and VSM studies were used to investigate the compositional and magnetostructural properties of the prepared nanoparticles. XRD results confirm that all the samples are single-phase cubic garnet structure with mean crystallite size of 97–105 nm obtained from Scherrer method and 95–102 nm from W–H method. FT-IR analysis shows the presence of three expected bands in the frequency limit of 450–600 cm{sup −1} attributed to metal–O stretching vibration in tetrahedral site of garnet structure. A typical survey spectrum from XPS results confirmed the presence of Dy, Fe, Co and O elements in the samples. This study also to characterize the different oxidation states of the samples by fitting the parameters of high resolution Dy 4d, Fe 2p, Co 2p and O 1s XPS spectra. The XPS data of Dy 4d spectrum show that Dy{sup 3+} ion occupy in dodecahedral (D) site. The XPS analysis of Fe 2p and Co 2p data suggests that (Fe{sup 3+} and Fe{sup 2+}), (Co{sup 3+} and Co{sup 2+}) are distributed in tetrahedral and octahedral sites

  18. Investigating observability properties from data in nonlinear dynamics

    Science.gov (United States)

    Aguirre, Luis A.; Letellier, Christophe

    2011-06-01

    Investigation of observability properties of nonlinear dynamical systems aims at giving a hint on how much dynamical information can be retrieved from a system using a certain measuring function. Such an investigation usually requires knowledge of the system equations. This paper addresses the challenging problem of investigating observability properties of a system only from recorded data. From previous studies it is known that phase spaces reconstructed from poor observables are characterized by local sharp pleatings, local strong squeezing of trajectories, and global inhomogeneity. A statistic is then proposed to quantify such properties of poor observability. Such a statistic was computed for a number of bench models for which observability studies had been previously performed. It was found that the statistic proposed in this paper, estimated exclusively from data, correlates generally well with observability results obtained using the system equations. It is possible to arrive at the same order of observability among the state variables using the proposed statistic even in the presence of noise with a standard deviation as high as 10% of the data. The paper includes the application of the proposed statistic to sunspot time series.

  19. Temporal Dynamics of Connectivity and Epidemic Properties of Growing Networks

    CERN Document Server

    Fotouhi, Babak

    2015-01-01

    Traditional mathematical models of epidemic disease had for decades conventionally considered static structure for contacts. Recently, an upsurge of theoretical inquiry has strived towards rendering the models more realistic by incorporating the temporal aspects of networks of contacts, societal and online, that are of interest in the study of epidemics (and other similar diffusion processes). However, temporal dynamics have predominantly focused on link fluctuations and nodal activities, and less attention has been paid to the growth of the underlying network. Many real networks grow: online networks are evidently in constant growth, and societal networks can grow due to migration flux and reproduction. The effect of network growth on the epidemic properties of networks is hitherto unknown---mainly due to the predominant focus of the network growth literature on the so-called steady-state. This paper takes a step towards alleviating this gap. We analytically study the degree dynamics of a given arbitrary net...

  20. Recurrence properties of quantum observables in wave packet dynamics

    CERN Document Server

    Sudheesh, C; Balakrishnan, V

    2009-01-01

    We investigate the recurrence properties of the time series of quantum mechanical expectation values, in terms of two representative models for a single-mode radiation field interacting with a nonlinear medium. From recurrence-time distributions, return maps and recurrence plots, we conclude that the dynamics of appropriate observables pertaining to the field can vary from quasiperiodicity to hyperbolicity, depending on the extent of the nonlinearity and of the departure from coherence of the initial state of the field. We establish that, in a simple bipartite model in which the field is effectively an open quantum system, a decaying exponential recurrence-time distribution, characteristic of a hyperbolic dynamical system, is associated with chaotic temporal evolution as characterized by a positive Liapunov exponent.

  1. KINEMATIC WAVE PROPERTIES OF ANISOTROPIC DYNAMICS MODEL FOR TRAFFIC FLOW

    Institute of Scientific and Technical Information of China (English)

    姜锐; 吴清松; 朱祚金

    2002-01-01

    The analyses of kinematic wave properties of a new dynamics model for traffic flow are carried out. The model does not exhibit the problem that one characteristic speed is always greater than macroscopic traffic speed, and therefore satisfies the requirement that traffic flow is anisotropic. Linear stability analysis shows that the model is stable under certain condition and the condition is obtained. The analyses also indicate that the model has a hierarchy of first-and second-order waves, and allows the existence of both smooth traveling wave and shock wave. However, the model has a distinctive criterion of shock wave compared with other dynamics models, and the distinction makes the model more realistic in dealing with some traffic problems such as wrong-way travel analysis.

  2. Dynamic simulation of flash drums using rigorous physical property calculations

    Directory of Open Access Journals (Sweden)

    F. M. Gonçalves

    2007-06-01

    Full Text Available The dynamics of flash drums is simulated using a formulation adequate for phase modeling with equations of state (EOS. The energy and mass balances are written as differential equations for the internal energy and the number of moles of each species. The algebraic equations of the model, solved at each time step, are those of a flash with specified internal energy, volume and mole numbers (UVN flash. A new aspect of our dynamic simulations is the use of direct iterations in phase volumes (instead of pressure for solving the algebraic equations. It was also found that an iterative procedure previously suggested in the literature for UVN flashes becomes unreliable close to phase boundaries and a new alternative is proposed. Another unusual aspect of this work is that the model expressions, including the physical properties and their analytical derivatives, were quickly implemented using computer algebra.

  3. Static and dynamic properties of KCNCl1−

    Indian Academy of Sciences (India)

    Jyotsna Galgale; Nupinder Kaur; Preeti Singh; Manik Manake; N K Gaur; R K Singh

    2004-08-01

    An extended three-body force shell model (ETSM) has been applied to investigate the static and dynamic properties of KCNCl1− for the composition = 0.56 and 1.0 at 300 K. The phonon dispersion curves computed by us are compared with the single crystal neutron diffraction data. The unusual features of these curves are the upward curvature seen in some of the acoustic branches. This is a result of -dependent softening of the phonon due to translation–rotation coupling. The transverse acoustic branch is more soft near the zone centre.

  4. Analytic results for oscillatory systems with extremal dynamic properties

    Directory of Open Access Journals (Sweden)

    Górecki Henryk

    2014-12-01

    Full Text Available The maximal value of the error is the most important criterion in system design. It is also the most difficult one. For that reason there exist many other criteria. The extreme value of the error represents the attainable accuracy which can be obtained and the corresponding extreme time gives information about how fast the transients are. The extreme values of the error and the corresponding time are treated here as functions of the roots of the characteristic equation. The proposed analytical formulae allow designing systems with prescribed dynamic properties.

  5. World-trade web: Topological properties, dynamics, and evolution

    Science.gov (United States)

    Fagiolo, Giorgio; Reyes, Javier; Schiavo, Stefano

    2009-03-01

    This paper studies the statistical properties of the web of import-export relationships among world countries using a weighted-network approach. We analyze how the distributions of the most important network statistics measuring connectivity, assortativity, clustering, and centrality have coevolved over time. We show that all node-statistic distributions and their correlation structure have remained surprisingly stable in the last 20years —and are likely to do so in the future. Conversely, the distribution of (positive) link weights is slowly moving from a log-normal density towards a power law. We also characterize the autoregressive properties of network-statistics dynamics. We find that network-statistics growth rates are well-proxied by fat-tailed densities like the Laplace or the asymmetric exponential power. Finally, we find that all our results are reasonably robust to a few alternative, economically meaningful, weighting schemes.

  6. Dynamic compressive properties of bovine knee layered tissue

    Science.gov (United States)

    Nishida, Masahiro; Hino, Yuki; Todo, Mitsugu

    2015-09-01

    In Japan, the most common articular disease is knee osteoarthritis. Among many treatment methodologies, tissue engineering and regenerative medicine have recently received a lot of attention. In this field, cells and scaffolds are important, both ex vivo and in vivo. From the viewpoint of effective treatment, in addition to histological features, the compatibility of mechanical properties is also important. In this study, the dynamic and static compressive properties of bovine articular cartilage-cancellous bone layered tissue were measured using a universal testing machine and a split Hopkinson pressure bar method. The compressive behaviors of bovine articular cartilage-cancellous bone layered tissue were examined. The effects of strain rate on the maximum stress and the slope of stress-strain curves of the bovine articular cartilage-cancellous bone layered tissue were discussed.

  7. Static and Dynamical Properties of heavy actinide Monopnictides of Lutetium

    Science.gov (United States)

    Mir, Showkat H.; Jha, Prakash C.; Islam, M. S.; Banarjee, Amitava; Luo, Wei; Dabhi, Shweta D.; Jha, Prafulla K.; Ahuja, R.

    2016-07-01

    In this work, density functional theory within the framework of generalized gradient approximation has been used to investigate the structural, elastic, mechanical, and phonon properties of lutetium monopnictides in rock-salt crystal structure. The spin orbit coupling and Hubbard-U corrections are included to correctly predict the essential properties of these compounds. The elastic constants, Young’s modulus E, Poisson’s ratio v, shear modulus G, anisotropy factor A and Pugh’s ratio are computed. We found that all lutetium monopnictides are anisotropic and show brittle character. From the wave velocities along [100], [110] and [111] directions, melting temperature of lutetium monopnictides are predicted. Dynamical stability of these monopnictides has been studied by density functional perturbation theory.

  8. Dynamic Mechanical Properties of Bio-Polymer Graphite Thin Films

    Science.gov (United States)

    Saddam Kamarudin, M.; Rus, Anika Zafiah M.; Munirah Abdullah, Nur; Abdullah, M. F. L.

    2017-08-01

    Waste cooking oil is used as the main substances in producing graphite biopolymer thin films. Biopolymer is produce from the reaction of bio-monomer and cross linker with the ratio of 2:1 and addition of graphite with an increment of 2% through a slip casting method. The morphological surface properties of the samples are observed by using Scanning Electron Microscope (SEM). It is shown that the graphite particle is well mixed and homogenously dispersed in biopolymer matrix. Meanwhile, the mechanical response of materials by monitoring the change in the material properties in terms of frequency and temperature of the samples were determined using Dynamic Mechanical Analysis (DMA). The calculated cross-linked density of biopolymer composites revealed the increment of graphite particle loading at 8% gives highest results with 260.012 x 103 M/m3.

  9. Optical properties and electron dynamics in carbon nanodots

    Science.gov (United States)

    Wen, Xiaoming; Huang, Shujuan; Conibeer, Gavin; Shrestha, Santosh; Yu, Pyng; Toh, Yon-Rui; Tang, Jau

    2013-12-01

    Carbon nanodots (CNDs) have emerged as fascinating materials with exceptional electronic and optical properties, and thus they offer promising applications in photonics, photovoltaics and photocatalysis. Herein we study the optical properties and electron dynamics in CNDs using steady state and time-resolved spectroscopy. The photoluminescence (PL) is determined to originate from both core and surface. The massive surface fluorophores result in a broad spectral fluorescence. In addition to various synthesis techniques, it is demonstrated that the PL of CNDs can be extended from the blue to the near infrared by thermal assisted growth. Directional electron transfer was observed as fast as femtosecond in CND-graphene oxide nanocomposites from CND into graphene oxide. These results suggest CNDs can be promising in many applications.

  10. Tuning Properties and Dynamic Range of Type 1 Vomeronasal Receptors

    Directory of Open Access Journals (Sweden)

    Sachiko eHaga-Yamanaka

    2015-07-01

    Full Text Available The mouse vomeronasal organ expresses chemosensory receptors that detect intra-species as well as inter-species cues. The vomeronasal neurons are thought to be highly selective in their responses. The tuning properties of individual receptors remain difficult to characterize due to the lack of a robust heterologous expression system. Here, we take a transgenic approach to ectopically express two Type 1 vomeronasal receptors in the mouse vomeronasal organ and characterize their responses to steroid compounds. We find that V1rj2 and V1rj3 are sensitive to two sulfated estrogens and can be activated by a broad variety of sulfated and glucuronidated steroids at high concentrations. Individual neurons exhibit narrow range of concentration-dependent activation. Collectively, a neuronal population expressing the same receptor covers a wide dynamic range in their responses to sulfated estrogens. These properties recapitulate the response profiles of endogenous neurons to sulfated estrogens.

  11. Tuning properties and dynamic range of type 1 vomeronasal receptors

    Science.gov (United States)

    Haga-Yamanaka, Sachiko; Ma, Limei; Yu, C. Ron

    2015-01-01

    The mouse vomeronasal organ (VNO) expresses chemosensory receptors that detect intra-species as well as inter-species cues. The vomeronasal neurons are thought to be highly selective in their responses. The tuning properties of individual receptors remain difficult to characterize due to the lack of a robust heterologous expression system. Here, we take a transgenic approach to ectopically express two type 1 vomeronasal receptors in the mouse VNO and characterize their responses to steroid compounds. We find that V1rj2 and V1rj3 are sensitive to two sulfated estrogens (SEs) and can be activated by a broad variety of sulfated and glucuronidated steroids at high concentrations. Individual neurons exhibit narrow range of concentration-dependent activation. Collectively, a neuronal population expressing the same receptor covers a wide dynamic range in their responses to SEs. These properties recapitulate the response profiles of endogenous neurons to SEs. PMID:26236183

  12. A Molecular Dynamics Study of the Structural and Dynamical Properties of Putative Arsenic Substituted Lipid Bilayers

    Directory of Open Access Journals (Sweden)

    Ratna Juwita

    2013-04-01

    Full Text Available Cell membranes are composed mainly of phospholipids which are in turn, composed of five major chemical elements: carbon, hydrogen, nitrogen, oxygen, and phosphorus. Recent studies have suggested the possibility of sustaining life if the phosphorus is substituted by arsenic. Although this issue is still controversial, it is of interest to investigate the properties of arsenated-lipid bilayers to evaluate this possibility. In this study, we simulated arsenated-lipid, 1-palmitoyl-2-oleoyl-sn-glycero-3-arsenocholine (POAC, lipid bilayers using all-atom molecular dynamics to understand basic structural and dynamical properties, in particular, the differences from analogous 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, (POPC lipid bilayers. Our simulations showed that POAC lipid bilayers have distinct structural and dynamical properties from those of native POPC lipid bilayers. Relative to POPC lipid bilayers, POAC lipid bilayers have a more compact structure with smaller lateral areas and greater order. The compact structure of POAC lipid bilayers is due to the fact that more inter-lipid salt bridges are formed with arsenate-choline compared to the phosphate-choline of POPC lipid bilayers. These inter-lipid salt bridges bind POAC lipids together and also slow down the head group rotation and lateral diffusion of POAC lipids. Thus, it would be anticipated that POAC and POPC lipid bilayers would have different biological implications.

  13. Spin Dynamics simulations of the dynamic properties of classical models for magnetic materials

    Science.gov (United States)

    Bunker, Alex; Landau, D. P.

    1998-03-01

    The Spin Dynamics simulation technique, which has had considerable success for the study of critical properties of classical Heisenberg antiferromagnets(A. Bunker, K. Chen, and D. P. Landau Phys. Rev. B) \\underline54, 9259 (1996), has been used to determine more general properties for a wider range of materials. A general spin dynamics program has been developed which can determine the dynamic structure factor, S(q,ω), in the [100], [110], and [111] directions for a wide range of classical magnetic models at any temperature desired. We have simulated the magnetic dynamics in the ordered phase of the isotropic Heisenberg model with both ferromagnetic and antiferromagnetic coupling on L×L×L BCC and SC lattices. Outside of the critical regime relatively small lattice sizes of L = 12, 24 could be used. From our simulation we have determined the stiffness coefficient and the spin relaxation rate which were compared to both experimental(J. Als-Nielsen in Phase Transitions and Critical Phenomena), ed. C. Domb, M. S. Green, Academic Press, (1976) and theoretical results. We have performed the same simulation with anisotropy appropriate for MnF2 and FeF_2. Research supported in part by the NSF

  14. Dynamic material properties of the pregnant human uterus.

    Science.gov (United States)

    Manoogian, Sarah J; Bisplinghoff, Jill A; Kemper, Andrew R; Duma, Stefan M

    2012-06-01

    Given that automobile crashes are the largest single cause of death for pregnant females, scientists are developing advanced computer models of pregnant occupants. The purpose of this study is to quantify the dynamic material properties of the human uterus in order to increase the biofidelity of these models. A total of 19 dynamic tension tests were performed on pregnant human uterus tissues taken from six separate donors. The tissues were collected during full term Cesarean style deliveries and tested within 36 h of surgery. The tissues were processed into uniform coupon sections and tested at 1.5 strains/s using linear motors. Local stress and strain were determined from load data and optical markers using high speed video. The experiments resulted in a non-linear stress versus strain curves with an overall average peak failure true strain of 0.32±0.112 and a corresponding peak failure true stress of 656.3±483.9 kPa. These are the first data available for the dynamic response of pregnant human uterus tissues, and it is anticipated they will increase the accuracy of future pregnant female computational models.

  15. Spectral and dynamical properties of a Zr-based MOF.

    Science.gov (United States)

    Gutiérrez, Mario; Sánchez, Félix; Douhal, Abderrazzak

    2016-02-21

    We report on the spectra and dynamics of a Zr-naphthalene dicarboxylic acid (Zr-NDC) MOF in different diluted solvent suspensions and in a concentrated tetrahydrofuran (THF) one. In a diluted diethyl ether (DE) suspension, we observed intraparticle excimer formation between neighboring naphthalene organic linkers, leading to a red-shifted broad band in the emission spectrum and to a dynamics composed of three components τ1 = 650 ps, τ2 = 3.7 ns and τ3 = 13.9 ns, assigned to the excimer photoproduction, monomer and excimer lifetimes, respectively. Furthermore, both absorption and emission spectra show a blue shift in more polar solvents characterized by the solvent polarity function f(ε,n). We also observed changes in the excimer formation time (490-840 ps) probably due to a variation in the MOF structural fluctuation induced by solvent filling. The global fluorescence quantum yield of these suspensions is around 0.30 ± 0.05. At higher concentrations of the MOF particles, we observed the absorption and emission signals of aggregates having an intercrystal excimer formation in ∼ 5 ps in a THF suspension, ∼ 100 times shorter than that observed in a diluted one. Our results give the spectral and dynamical properties of a Zr-NDC MOF in solvent suspensions, opening the way to further studies of these kinds of MOFs interacting with fluorescent dyes for possible photonic applications.

  16. Temporal dynamics of connectivity and epidemic properties of growing networks

    Science.gov (United States)

    Fotouhi, Babak; Shirkoohi, Mehrdad Khani

    2016-01-01

    Traditional mathematical models of epidemic disease had for decades conventionally considered static structure for contacts. Recently, an upsurge of theoretical inquiry has strived towards rendering the models more realistic by incorporating the temporal aspects of networks of contacts, societal and online, that are of interest in the study of epidemics (and other similar diffusion processes). However, temporal dynamics have predominantly focused on link fluctuations and nodal activities, and less attention has been paid to the growth of the underlying network. Many real networks grow: Online networks are evidently in constant growth, and societal networks can grow due to migration flux and reproduction. The effect of network growth on the epidemic properties of networks is hitherto unknown, mainly due to the predominant focus of the network growth literature on the so-called steady state. This paper takes a step towards alleviating this gap. We analytically study the degree dynamics of a given arbitrary network that is subject to growth. We use the theoretical findings to predict the epidemic properties of the network as a function of time. We observe that the introduction of new individuals into the network can enhance or diminish its resilience against endemic outbreaks and investigate how this regime shift depends upon the connectivity of newcomers and on how they establish connections to existing nodes. Throughout, theoretical findings are corroborated with Monte Carlo simulations over synthetic and real networks. The results shed light on the effects of network growth on the future epidemic properties of networks and offers insights for devising a priori immunization strategies.

  17. Structural dynamics and interfacial properties of filler-reinforced elastomers

    Energy Technology Data Exchange (ETDEWEB)

    Fritzsche, J; Klueppel, M, E-mail: Manfred.Klueppel@DIKautschuk.de [Deutsches Institut fuer Kautschuktechnologie e V, Eupener Strasse 33, D-30519 Hannover (Germany)

    2011-01-26

    The combined effect of filler networking and reduced chain mobility close to the filler interface is analyzed based on investigations of the relaxation dynamics of a solution of styrene butadiene rubber filled with different loadings and types of nanostructured carbon blacks. Dynamic-mechanical and dielectric spectra are studied in a wide frequency and temperature range. By referring to a tunneling process of charge carriers over nanoscopic gaps between adjacent carbon black particles the gap distance is evaluated from the dielectric spectra. This distance corresponds to the length of glassy-like polymer bridges forming flexible bonds between adjacent filler particles of the filler network. It is found that the gap distance decreases with increasing filler loading and specific surface area which correlates with an increase of the apparent activation energy of the filler network evaluated from dynamic-mechanical data. Due to the thermal activation of glassy-like polymer bridges the time-temperature superposition principle is not fulfilled for filled elastomers and the introduction of vertical shift factors is necessary to obtain viscoelastic master curves. The change in the low frequency viscoelastic properties by the incorporation of fillers is shown to be related to the superimposed dynamics of the filler network governed by the viscoelastic response of the glassy-like polymer bridges. This effect is distinguished from the reduced chain mobility close to the filler surface which results in a broadening of the glass transition on the high temperature or low frequency side. The microstructure-based interpretation of viscoelastic data is supported by an analysis of the relaxation time spectra.

  18. Static and dynamic properties of critical fluctuations in lipid bilayers

    Science.gov (United States)

    Honerkamp-Smith, Aurelia Rose

    A current popular view in cell biology is that sub-micron, dynamic heterogeneity in lipid and protein composition arises within the plasma membranes of resting cells. Local changes in membrane composition may affect protein activity, which is sensitive to the lipid environment. We have observed dynamic heterogeneity in lipid membranes in the form of composition fluctuations near a miscibility critical point. In this thesis we quantitatively describe the dynamic and static properties of these fluctuations. We evaluate the temperature dependence of line tension between liquid domains and of fluctuation correlation lengths in lipid membranes in order to extract a critical exponent, nu. We obtain nu = 1.2 +/- 0.2, consistent with the Ising model prediction nu = 1. From probability distributions of pixel intensities in fluorescence images of membranes, we also extract an independent critical exponent of beta = 0.124 +/- 0.03, which is consistent with the Ising prediction of beta = 1/8. We have systematically measured the effective dynamic critical exponent z eff in a lipid membrane while cooling the system toward a critical point. We observe that zeff slightly increases from a value of roughly 2.6 as xi → 0, to zeff = 3.0 +/- 0.15 at xi = 13 sm. Our measurements are consistent with the prediction that zeff → 3.00 as T → Tc for a 2-D system with conserved order parameter in contact with a bulk 3-D liquid. To our knowledge, no other systematic measurement of zeff with increasing xi exists for a 2-D system with conserved order parameter. We also report the solubility limit of several biologically relevant sterols in electroformed giant unilamellar vesicle membranes containing phosphatidylcholine (PC) lipids in ratios of 1:1:X DPPC:DOPC:sterol. We find solubility limits of cholesterol, lanosterol, ergosterol, stigmasterol, and beta-sitosterol using nuclear magnetic resonance.

  19. Structural dynamics and interfacial properties of filler-reinforced elastomers

    Science.gov (United States)

    Fritzsche, J.; Klüppel, M.

    2011-01-01

    The combined effect of filler networking and reduced chain mobility close to the filler interface is analyzed based on investigations of the relaxation dynamics of a solution of styrene butadiene rubber filled with different loadings and types of nanostructured carbon blacks. Dynamic-mechanical and dielectric spectra are studied in a wide frequency and temperature range. By referring to a tunneling process of charge carriers over nanoscopic gaps between adjacent carbon black particles the gap distance is evaluated from the dielectric spectra. This distance corresponds to the length of glassy-like polymer bridges forming flexible bonds between adjacent filler particles of the filler network. It is found that the gap distance decreases with increasing filler loading and specific surface area which correlates with an increase of the apparent activation energy of the filler network evaluated from dynamic-mechanical data. Due to the thermal activation of glassy-like polymer bridges the time-temperature superposition principle is not fulfilled for filled elastomers and the introduction of vertical shift factors is necessary to obtain viscoelastic master curves. The change in the low frequency viscoelastic properties by the incorporation of fillers is shown to be related to the superimposed dynamics of the filler network governed by the viscoelastic response of the glassy-like polymer bridges. This effect is distinguished from the reduced chain mobility close to the filler surface which results in a broadening of the glass transition on the high temperature or low frequency side. The microstructure-based interpretation of viscoelastic data is supported by an analysis of the relaxation time spectra.

  20. SYSTEMATIC AND DYNAMIC PROPER-TIES OF CASTING HOT SPOT

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The variation of casting hot spot with proceeding of solidification and components of casting-mold system is studied by the technique of numerical simulation of solidification.The result shows that the thickest part of casting is not exactly the last part of solidification in the casting, while the last part of solidification is not exactly casting hot spot at the early stage of solidification.The location, size, shape and number of casting hot spot change with geomitric, physical and technological factors of the casting-mold system such as thickness of the casting secondary wall and with the passage of time in the course of the solidification.The former is known as the systematic property of hot spot and the latter, dynamic property.Only when the properties of hot spot are grasped completely and accurately, can it be fed more effectively.By doing so, not only sound castings can be obtained, but also riser efficiency can be improved.

  1. Molecular dynamics simulation of liquid water confined inside graphite channels: dielectric and dynamical properties.

    Science.gov (United States)

    Martí, J; Nagy, G; Guàrdia, E; Gordillo, M C

    2006-11-30

    Electric and dielectric properties and microscopic dynamics of liquid water confined between graphite slabs are analyzed by means of molecular dynamics simulations for several graphite-graphite separations at ambient conditions. The electric potential across the interface shows oscillations due to water layering, and the overall potential drop is about -0.28 V. The total dielectric constant is larger than the corresponding value for the bulklike internal region of the system. This is mainly due to the preferential orientations of water nearest the graphite walls. Estimation of the capacitance of the system is reported, indicating large variations for the different adsorption layers. The main trend observed concerning water diffusion is 2-fold: on one hand, the overall diffusion of water is markedly smaller for the closest graphite-graphite separations, and on the other hand, water molecules diffuse in interfaces slightly slower than those in the bulklike internal areas. Molecular reorientational times are generally larger than those corresponding to those of unconstrained bulk water. The analysis of spectral densities revealed significant spectral shifts, compared to the bands in unconstrained water, in different frequency regions, and associated to confinement effects. These findings are important because of the scarce information available from experimental, theoretical, and computer simulation research into the dielectric and dynamical properties of confined water.

  2. Static and dynamic properties of polymer brush with topological ring structures: Molecular dynamic simulation

    Science.gov (United States)

    Wan, Wu-Bing; Lv, Hong-Hong; Merlitz, Holger; Wu, Chen-Xu

    2016-10-01

    By defining a topological constraint value (rn), the static and dynamic properties of a polymer brush composed of moderate or short chains with different topological ring structures are studied using molecular dynamics simulation, and a comparison with those of linear polymer brush is also made. For the center-of-mass height of the ring polymer brush scaled by chain length h ˜ N ν , there is no significant difference of exponent from that of a linear brush in the small topological constraint regime. However, as the topological constraint becomes stronger, one obtains a smaller exponent. It is found that there exists a master scaling power law of the total stretching energy scaled by chain length N for moderate chain length regime, F ene ˜ Nρ ν , for ring polymer brushes, but with a larger exponent ν than 5/6, indicating an influence of topological constraint to the dynamic properties of the system. A topological invariant of free energy scaled by 5/4 is found. Project supported by the National Natural Science Foundation of China (Grant Nos. 11374243 and 11574256).

  3. Dynamic properties of bacterial pili measured by optical tweezers

    Science.gov (United States)

    Fallman, Erik G.; Andersson, Magnus J.; Schedin, Staffan S.; Jass, Jana; Uhlin, Bernt Eric; Axner, Ove

    2004-10-01

    The ability of uropathogenic Escherichia coli (UPEC) to cause urinary tract infections is dependent on their ability to colonize the uroepithelium. Infecting bacteria ascend the urethra to the bladder and then kidneys by attaching to the uroepithelial cells via the differential expression of adhesins. P pili are associated with pyelonephritis, the more severe infection of the kidneys. In order to find means to treat pyelonephritis, it is therefore of interest to investigate the properties P pili. The mechanical behavior of individual P pili of uropathogenic Escherichia coli has recently been investigated using optical tweezers. P pili, whose main part constitutes the PapA rod, composed of ~1000 PapA subunits in a helical arrangement, are distributed over the bacterial surface and mediate adhesion to host cells. We have earlier studied P pili regarding its stretching/elongation properties where we have found and characterized three different elongation regions, of which one constitute an unfolding of the quaternary (helical) structure of the PapA rod. It was shown that this unfolding takes place at an elongation independent force of 27 +/- 2 pN. We have also recently performed studies on its folding properties and shown that the unfolding/folding of the PapA rod is completely reversible. Here we present a study of the dynamical properties of the PapA rod. We show, among other things, that the unfolding force increases and that the folding force decreases with the speed of unfolding and folding respectively. Moreover, the PapA rod can be folded-unfolded a significant number of times without loosing its characteristics, a phenomenon that is believed to be important for the bacterium to keep close contact to the host tissue and consequently helps the bacterium to colonize the host tissue.

  4. Some Chaotic Properties of Discrete Fuzzy Dynamical Systems

    Directory of Open Access Journals (Sweden)

    Yaoyao Lan

    2012-01-01

    Full Text Available Letting (X,d be a metric space, f:X→X a continuous map, and (ℱ(X,D the space of nonempty fuzzy compact subsets of X with the Hausdorff metric, one may study the dynamical properties of the Zadeh's extension f̂:ℱ(X→ℱ(X:u↦f̂u. In this paper, we present, as a response to the question proposed by Román-Flores and Chalco-Cano 2008, some chaotic relations between f and f̂. More specifically, we study the transitivity, weakly mixing, periodic density in system (X,f, and its connections with the same ones in its fuzzified system.

  5. Static and dynamic properties of QCD bound states

    Energy Technology Data Exchange (ETDEWEB)

    Kubrak, Stanislav

    2015-07-01

    The QCD phenomenology can be faced with the framework of the coupled quark DSE, meson BSE and baryon Faddeev equation, providing non-perturbative, continuum and Poincare invariant scientific approach. The research performed throughout this thesis is twofold. From one perspective we focus on the investigation of mass spectra for mesons with total spin quantum number J=3 and arising Regge-trajectory for natural parity states J{sup PC}=1{sup --},2{sup ++},3{sup --} within rainbow-ladder single gluon exchange model. The other findings are concerning the impact of the pion cloud effect on J>2 meson states, baryon masses, namely on Nucleon and Delta three-body bound states and meson dynamical properties like the pion form factor.

  6. Transport Properties of Fluids in Micropores by Molecular Dynamics Simulation

    Institute of Scientific and Technical Information of China (English)

    LIU, Ying-Chun(刘迎春); WANG, Qi(王琦); Lü, Ling-Hong(吕玲红)

    2004-01-01

    The transport properties of fluid argon in micropores, i.e. diffusivity and viscosity, were studied by molecular dynamics simulations. The effects of pore width, temperature and density on diffusivity and viscosity were analyzed in micropores with pore widths from 0.8 to 4.0 nm. The results show that the diffusivity in micropores is much lower than the bulk diffusivity, and it decreases as the pore width decreases; but the viscosity in micropores is significantly larger than the bulk one, and it increases sharply in narrow micropores. The diffusivity in channel parallel direction is obviously larger than that in channel perpendicular direction. The temperature and density are important factors that obviously affect diffusivity and viscosity in micropores.

  7. Molecular dynamics simulation of thermodynamic properties of YAG

    Institute of Scientific and Technical Information of China (English)

    Chen Jun; Chen Dong-Quan; Zhang Jing-Lin

    2007-01-01

    In this paper we study the thermodynamic properties of Y3Al5O12 (YAG) by using molecular dynamic method combined with two- and three-body potentials. The dependences of melting process, elastic constant and diffusion coefficient on temperature of crystal YAG are simulated and compared with the experimental results. Our results show that anion O has the biggest self-diffusivity and cation Y has the smallest self-diffusivity in a crystal YAG. The calculated diffusion activation energies of ions O, Al and Y are 282.55, 439.46, 469.71k J/mol, respectively. Comparing with experimental creep activation energy of YAG confirms that cation Y can restrict the diffusional creep rate of crystal YAG.

  8. Dynamic Tensile Properties of Concrete under Different Environments

    Institute of Scientific and Technical Information of China (English)

    YAN Dongming; LIN Gao

    2006-01-01

    By using an MTS810 hydra-electro-servo universal machine, the effect of moisture content and temperature on the rate sensitivity of concrete was investigated, the range of strain rate was varying from 10-5 /s to 10-0.3/s. It is concluded from the tests that the water content has a significant influence on the rate sensitivity of concrete whereas the temperature has a slight one, and the effects of rate sensitivity are attributed to both the viscosity caused by free water and the transformation of fracture mode when subjected to a high strain rate. The dynamic strength, initial modulus of elasticity , critical strain, Poisson ratio and energy absorption properties were studied systematically. It is found that the strength, initial modulus of elasticity, critical strain, and energy absorption capacity of concrete all increase with the increasing strain rate, whereas Poisson ratio keeps almost unchanged.

  9. A molecular dynamics study on surface properties of supercooled water

    Institute of Scientific and Technical Information of China (English)

    L(U) Yongjun; WEI Bingbo

    2006-01-01

    Molecular dynamics simulations were performed to study the surface properties of water in a temperature range from 228 to 293 K by using the extended simple point charge (SPC/E) and four-site TIP4P potentials. The calculated surface tension increases with the decrease of temperature, and moreover the slopes of the surface tension-temperature curves show a weak rise below 273 K, whereas no obvious anomalies appear near 228 K, which accords with the previous experiments. Compared with the measured values, the SPC/E potential shows a good agreement, and the TIP4P potential scription of the surface structure of supercooled water for the SPC/E. When simulating the orientational distributions of water molecules near the surface, the SPC/E potential produces higher ordering and larger surface potentials than the TIP4P potential.

  10. Static and Dynamic Properties of Semi-Crystalline Polyethylene

    Directory of Open Access Journals (Sweden)

    Ming-ming Xu

    2016-03-01

    Full Text Available Properties of extruded polymers are strongly affected by molecular structure. For two different semi-crystalline polymers, low-density polyethylene (LDPE and ultra-high molecular weight polyethylene (UHMWPE, this investigation measures the elastic modulus, plastic flow stress and strain-rate dependence of yield stress. Also, it examines the effect of molecular structure on post-necking tensile fracture. The static and dynamic material tests reveal that extruded UHMWPE has a somewhat larger yield stress and much larger strain to failure than LDPE. For both types of polyethylene, the strain at tensile failure decreases with increasing strain-rate. For strain-rates 0.001–3400 s−1, the yield stress variation is accurately represented by the Cowper–Symonds equation. These results indicate that, at high strain rates, UHMWPE is more energy absorbent than LDPE as a result of its long chain molecular structure with few branches.

  11. Molecular dynamics simulations of lipid membranes with lateral force: rupture and dynamic properties.

    Science.gov (United States)

    Xie, Jun Yu; Ding, Guang Hong; Karttunen, Mikko

    2014-03-01

    Membranes' response to lateral tension, and eventual rupture, remains poorly understood. In this study, pure dipalmitoylphosphatidylcholine (DPPC) lipid bilayers, under tension/pressure, were studied using molecular dynamics (MD) simulations. The irreversible membrane breakdown is demonstrated to depend on the amplitude of lateral tension, loading rate, and the size of the bilayer. In all of our simulations, -200bar lateral pressure was found to be enough to rupture lipid membrane regardless of the loading rate or the membrane size. Loading rate and membrane size had a significant impact on rupture. A variety of dynamic properties of lipid molecules, probability distribution of area per lipid particularly, have been determined, and found to be fundamental for describing membrane behavior in detail, thus providing the quantitative description for the requirement of membrane rupture.

  12. Structural and dynamical properties of liquid Al-Au alloys

    Science.gov (United States)

    Peng, H. L.; Voigtmann, Th.; Kolland, G.; Kobatake, H.; Brillo, J.

    2015-11-01

    We investigate temperature- and composition-dependent structural and dynamical properties of Al-Au melts. Experiments are performed to obtain accurate density and viscosity data. The system shows a strong negative excess volume, similar to other Al-based binary alloys. We develop a molecular-dynamics (MD) model of the melt based on the embedded-atom method (EAM), gauged against the available experimental liquid-state data. A rescaling of previous EAM potentials for solid-state Au and Al improves the quantitative agreement with experimental data in the melt. In the MD simulation, the admixture of Au to Al can be interpreted as causing a local compression of the less dense Al system, driven by less soft Au-Au interactions. This local compression provides a microscopic mechanism explaining the strong negative excess volume of the melt. We further discuss the concentration dependence of self- and interdiffusion and viscosity in the MD model. Al atoms are more mobile than Au, and their increased mobility is linked to a lower viscosity of the melt.

  13. Dynamic thermo-mechanical properties of various flowable resin composites

    Science.gov (United States)

    Balthazard, Rémy; Vincent, Marin; Dahoun, Abdessellam; Mortier, Eric

    2016-01-01

    Background This study compared the storage modulus (E’), the loss modulus (E’’) and the loss tangent (tan δ) of various flowable resin composites. Material and Methods Grandio Flow (GRF), GrandioSo Heavy Flow (GHF), Filtek Supreme XTE (XTE) and Filtek Bulk Fill (BUL) flowable resins and Clinpro Sealant (CLI) ultra-flowable pit and fissure sealant resin were used. 25 samples were tested using a dynamical mechanical thermal analysis system in bending mode. Measurements were taken within a temperature range of 10 to 55°C. The results were statistically analyzed using mixed-effect and repeated-measure analysis of variance followed by paired multiple comparisons. Results For all the materials, the E’ values decrease with temperature, whereas the tan δ values increase. Irrespective of the temperature, GHF and GRF present E’ and E’’ values significantly higher than all the other materials and CLI presents values significantly lower than all the other materials. Observation of the values for all the materials reveals a linear progression of the tan δ values with temperature. Conclusions A variation in temperature within a physiological range generates modifications in mechanical properties without damaging the material, however. Filler content in volume terms appears to be the crucial parameter in the mechanical behavior of tested materials. Key words:Dynamic mechanical thermal analysis, elastic modulus, filler content, flowable resin composites, loss modulus, loss tangent. PMID:27957266

  14. Rapid cable tension estimation using dynamic and mechanical properties

    Science.gov (United States)

    Martínez-Castro, Rosana E.; Jang, Shinae; Christenson, Richard E.

    2016-04-01

    Main tension elements are critical to the overall stability of cable-supported bridges. A dependable and rapid determination of cable tension is desired to assess the state of a cable-supported bridge and evaluate its operability. A portable smart sensor setup is presented to reduce post-processing time and deployment complexity while reliably determining cable tension using dynamic characteristics extracted from spectral analysis. A self-recording accelerometer is coupled with a single-board microcomputer that communicates wirelessly with a remote host computer. The portable smart sensing device is designed such that additional algorithms, sensors and controlling devices for various monitoring applications can be installed and operated for additional structural assessment. The tension-estimating algorithms are based on taut string theory and expand to consider bending stiffness. The successful combination of cable properties allows the use of a cable's dynamic behavior to determine tension force. The tension-estimating algorithms are experimentally validated on a through-arch steel bridge subject to ambient vibration induced by passing traffic. The tension estimation is determined in well agreement with previously determined tension values for the structure.

  15. A Method to Analyze Dynamics Properties of Transfemoral Prosthesis

    Directory of Open Access Journals (Sweden)

    Van Tuan Le

    2016-01-01

    Full Text Available Abstract.The methodto compute gait cycle forces and moments acting on the hip and knee joints of a lower limb with a trans-femoral prosthesis were investigated. A 3D model of the lower limb with prosthesis was created using CAD software and based on MRI data and real size dimension. The transfemoral prosthesis was modelled as a coupled of links with two revolution joints at hip and knee joint. This coupled link was connected to a bar with translation joint to description the distance walked of people in gait cycle. All parts of the prosthesis were measured and a full-size 3D model was created.The kinematics parameters of a lower limb with a prosthesis were determined from motion-captured system data. The reaction force was measured with a force sensor in the footplate. The 3D model of the prosthesis was exported to MatlabSimmechanics. The input data which are kinematic parameters were applied to calculate the forces and moments acting on the joints. The results of this study present a method to analyse the dynamic properties of transfemoral prosthesis including speed of the gait. It could be used to calculate the load transferred from the socket to the residual limb. They could also be used to design the structure of a prosthesis and optimize the dynamic characteristics of such a prosthesis.

  16. Influence of snow-cover properties on avalanche dynamics

    Science.gov (United States)

    Steinkogler, W.; Sovilla, B.; Lehning, M.

    2012-04-01

    Snow avalanches with the potential of reaching traffic routes and settlements are a permanent winter threat for many mountain communities. Snow safety officers have to take the decision whether to close a road, a railway line or a ski slope. Those decisions are often very difficult as they demand the ability to interpret weather forecasts, to establish their implication for the stability and the structure of the snow cover and to evaluate the influence of the snow cover on avalanche run-out distances. In the operational programme 'Italy-Switzerland, project STRADA' we focus on the effects of snow cover on avalanche dynamics, and thus run-out distance, with the aim to provide a better understanding of this influence and to ultimately develop tools to support snow safety officers in their decision process. We selected five avalanches, measured at the Vallée de la Sionne field site, with similar initial mass and topography but different flow dynamics and run-out distances. Significant differences amongst the individual avalanches could be observed for front and internal velocities, impact pressures, flow regimes, deposition volumes and run-out distances. For each of these avalanches, the prevailing snow conditions at release were reconstructed using field data from local snowpits or were modeled with SNOWPACK. Combining flow dynamical data with snow cover properties shows that erodible snow depth, snow density and snow temperature in the snow pack along the avalanche track are among the decisive variables that appear to explain the observed differences. It is further discussed, how these influencing factors can be quantified and used for improved predictions of site and time specific avalanche hazard.

  17. Structure and properties of forsterite-MgSiO3 liquid interface: molecular dynamics study

    National Research Council Canada - National Science Library

    Noritake, Fumiya; Kawamura, Katsuyuki

    2014-01-01

    .... We performed molecular dynamics simulations in terms of structures and diffusivities in forsterite-MgSiO3 liquid interfaces to obtain the nanoscale dynamic properties and structure of the interface...

  18. Mechanical properties of Indonesian-made narrow dynamic compression plate.

    Science.gov (United States)

    Dewo, P; van der Houwen, E B; Sharma, P K; Magetsari, R; Bor, T C; Vargas-Llona, L D; van Horn, J R; Busscher, H J; Verkerke, G J

    2012-09-01

    Osteosynthesis plates are clinically used to fixate and position a fractured bone. They should have the ability to withstand cyclic loads produced by muscle contractions and total body weight. The very high demand for osteosynthesis plates in developing countries in general and in Indonesia in particular necessitates the utilisation of local products. In this paper, we investigated the mechanical properties, i.e. proportional limit and fatigue strength of Indonesian-made Narrow Dynamic Compression Plates (Narrow DCP) as one of the most frequently used osteosynthesis plates, in comparison to the European AO standard plate, and its relationship to geometry, micro structural features and surface defects of the plates. All Indonesian-made plates appeared to be weaker than the standard Narrow DCP because they consistently failed at lower stresses. Surface defects did not play a major role in this, although the polishing of the Indonesian Narrow DCP was found to be poor. The standard plate showed indications of cold deformation from the production process in contrast to the Indonesian plates, which might be the first reason for the differences in strength. This is confirmed by hardness measurements. A second reason could be the use of an inferior version of stainless steel. The Indonesian plates showed lower mechanical behaviour compared to the AO-plates. These findings could initiate the development of improved Indonesian manufactured DCP-plates with properties comparable to commonly used plates, such as the standard European AO-plates.

  19. Design of Ordered Wrinkled Patterns with Dynamically Tuned Properties

    Science.gov (United States)

    Yagüe, Jose Luis; Yin, Jie; Boyce, Mary C.; Gleason, Karen K.

    The formation of patterned surfaces is a common tool to engineer materials. The capability to design and reproduce detailed features is a key factor to fulfill requirements for functional surfaces. Generation of wrinkles via buckling of a stiff film on a compliant surface is an inexpensive, easy and reliable method to yield a patterned surface. The wrinkling method has been exploited in a wide variety of areas, including photovoltaics, microfluidics, adhesion, and anti-fouling systems. Here we show the ability to obtain deterministically ordered herringbone patterns. In a biaxially pre-stretched PDMS sample a thin film of a stiff coating is deposited by initiated chemical vapor deposition (iCVD). iCVD is a solvent- free technique that yields a conformal thin coating on virtually any substrate, giving a controllable thickness and tunable structural, mechanical, thermal, wetting, and swelling properties. Sequential release of the film-substrate system shows the transition from 1-D ripples to an ordered herringbone pattern. Wrinkle features can be controlled adjusting the film thickness, the initial load and the release process. Moreover, the surface topography can be dynamically tuned by applying a controlled mechanical stimulus. These properties make these materials excellent candidates for flexible applications.

  20. Stability properties of elementary dynamic models of membrane transport.

    Science.gov (United States)

    Hernández, Julio A

    2003-01-01

    Living cells are characterized by their capacity to maintain a stable steady state. For instance, cells are able to conserve their volume, internal ionic composition and electrical potential difference across the plasma membrane within values compatible with the overall cell functions. The dynamics of these cellular variables is described by complex integrated models of membrane transport. Some clues for the understanding of the processes involved in global cellular homeostasis may be obtained by the study of the local stability properties of some partial cellular processes. As an example of this approach, I perform, in this study, the neighborhood stability analysis of some elementary integrated models of membrane transport. In essence, the models describe the rate of change of the intracellular concentration of a ligand subject to active and passive transport across the plasma membrane of an ideal cell. The ligand can be ionic or nonionic, and it can affect the cell volume or the plasma membrane potential. The fundamental finding of this study is that, within the physiological range, the steady states are asymptotically stable. This basic property is a necessary consequence of the general forms of the expressions employed to describe the active and passive fluxes of the transported ligand.

  1. Dynamic mechanical and swelling properties of maleated hyaluronic acid hydrogels.

    Science.gov (United States)

    Lin, Hai; Liu, Jun; Zhang, Kai; Fan, Yujiang; Zhang, Xingdong

    2015-06-05

    A series of maleated hyaluronan (MaHA) are developed by modification with maleic anhydride. The degrees of substitution (DS) of MaHA vary between 7% and 75%. The DS of MaHA is both higher and wider than methacrylated HA derivatives (MeHA) reported in the literature. MaHA hydrogels are then prepared by photopolymerization and their dynamic mechanical and swelling properties of the hydrogels are investigated. The results showed that MaHA hydrogels with moderate DS (25%, 50% and 65%) have higher storage modulus and lower equilibrium swelling ratios than those with either low or high DS (7%, 15% and 75%). Theoretical analyses also suggest a similar pattern among hydrogels with different DS. The results confirm that the increased cross-linking density enhances the strength of hydrogels. Meanwhile, the hydrophilicity of introduced groups during modification and the degree of incomplete crosslinking reaction might have negative impact on the mechanical and swelling properties of MaHA hydrogels.

  2. Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals

    Directory of Open Access Journals (Sweden)

    G.M. Bhuiyan

    2012-10-01

    Full Text Available Several static and dynamic properties of liquid Cu, Ag and Au at thermodynamic states near their respective melting points, have been evaluated by means of the orbital free ab-initio molecular dynamics simulation method. The calculated static structure shows good agreement with the available X-ray and neutron diffraction data. As for the dynamic properties, the calculated dynamic structure factors point to the existence of collective density excitations along with a positive dispersion for l-Cu and l-Ag. Several transport coefficients have been obtained which show a reasonable agreement with the available experimental data.

  3. Orbital free ab initio molecular dynamics simulation study of some static and dynamic properties of liquid noble metals

    CERN Document Server

    Bhuiyan, G M; González, D J; 10.5488/CMP.15.33604

    2012-01-01

    Several static and dynamic properties of liquid Cu, Ag and Au at thermodynamic states near their respective melting points, have been evaluated by means of the orbital free ab-initio molecular dynamics simulation method. The calculated static structure shows good agreement with the available X-ray and neutron diffraction data. As for the dynamic properties, the calculated dynamic structure factors point to the existence of collective density excitations along with a positive dispersion for l-Cu and l-Ag. Several transport coefficients have been obtained which show a reasonable agreement with the available experimental data.

  4. Unstable Dynamical Properties of Spiral Cloud Bands in Tropical Cyclones

    Institute of Scientific and Technical Information of China (English)

    HUANG Hong; ZHANG Ming

    2009-01-01

    A nondivergent barotropic model (Model 1) and a barotropic primitive equation vortex model (Model 2) are linearized respectively in this paper. Then their perturbation wave spectrums are computed with a normal mode approach to study the instability problem on an appointed tropical cyclone (TC)-like vortex, thereby, the dynamic instability properties of spiral cloud bands of TCs are discussed. The results show that the unstable mode of both models exhibits a spiral band-like structure that propagates away from the vortex outside the radius of maximum winds. The discrete modal instability of the pure vortex Rossby wave can account for the generation of the eyewall and the inner spiral band. The unstable mode in Model 2 has three parts, i.e., eyewall, inner and outer spiral bands. This mode can be interpreted as a mixed vortex Rossby-inertia gravitational wave. The unbalanced property of the wave outside the stagnation radius of the vortex Rossby wave is one of the important reasons for the formation of the outer spiral band in TCs. Accordingly, the outer spiral band can be identified to possess properties of an inertial-gravitational wave.When the formation of unstable inner and outer spiral bands is studied, a barotropic vortex model shall be used. In this model, the most unstable perturbation bears the attributes of either the vortex Rossby wave or the inertial-gravitational wave, depending on the vortex radius. So such perturbations shall be viewed as an unbalanced and unstable mixed wave of these two kinds of waves.

  5. Using nonlinearity and spatiotemporal property modulation to control effective structural properties: dynamic rods

    DEFF Research Database (Denmark)

    Thomsen, Jon Juel; Blekhman, Iliya I.

    2007-01-01

    , and to call these dynamic materials or spatiotemporal composites. Also, according to theoretical predictions, structural nonlinearity enhances the possibilities of achieving specific effective properties. For example, with an elastic rod having cubical elastic nonlinearities, it seems possible to control......, and exemplified. Then simple approximate analytical expressions are derived for the effective wave speed and natural frequencies for one-dimensional wave propagation in a nonlinear elastic rod, where the spatiotemporal modulation is imposed as a high-frequency standing wave, supposed to be given. Finally the more...

  6. The dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics.

    Science.gov (United States)

    Barone, Daniela; Balasco, Nicole; Autiero, Ida; Vitagliano, Luigi

    2017-03-01

    Hepatitis C Virus (HCV) is one of the most persistent human viruses. Although effective therapeutic approaches have been recently discovered, their use is limited by the elevated costs. Therefore, the development of alternative/complementary strategies is an urgent need. The E2 glycoprotein, the most immunogenic HCV protein, and its variants represent natural candidates to achieve this goal. Here we report an extensive molecular dynamics (MD) analysis of the intrinsic properties of E2. Our data provide interesting clues on the global and local intrinsic dynamic features of the protein. Present MD data clearly indicate that E2 combines a flexible structure with a network of covalent bonds. Moreover, the analysis of the two most important antigenic regions of the protein provides some interesting insights into their intrinsic structural and dynamic properties. Our data indicate that a fluctuating β-hairpin represents a populated state by the region E2(412-423). Interestingly, the analysis of the epitope E2(427-446) conformation, that undergoes a remarkable rearrangement in the simulation, has significant similarities with the structure that the E2(430-442) fragment adopts in complex with a neutralizing antibody. Present data also suggest that the strict conservation of Gly436 in E2 protein of different HCV genotypes is likely dictated by structural restraints. Moreover, the analysis of the E2(412-423) flexibility provides insights into the mechanisms that some antibodies adopt to anchor Trp437 that is fully buried in E2. Finally, the present investigation suggests that MD simulations should systematically complement crystallographic studies on flexible proteins that are studied in combination with antibodies.

  7. The structural and dynamical properties of compact elliptical galaxies

    Science.gov (United States)

    Yıldırım, Akın; van den Bosch, Remco C. E.; van de Ven, Glenn; Martín-Navarro, Ignacio; Walsh, Jonelle L.; Husemann, Bernd; Gültekin, Kayhan; Gebhardt, Karl

    2017-07-01

    Dedicated photometric and spectroscopic surveys have provided unambiguous evidence for a strong stellar mass-size evolution of galaxies within the last 10 Gyr. The likely progenitors of today's most massive galaxies are remarkably small, discy, passive and have already assembled much of their stellar mass at redshift z = 2. An in-depth analysis of these objects, however, is currently not feasible due to the lack of high-quality, spatially resolved photometric and spectroscopic data. In this paper, we present a sample of nearby compact elliptical galaxies (CEGs), which bear resemblance to the massive and quiescent galaxy population at earlier times. Hubble Space Telescope (HST) and wide-field integral field unit (IFU) data have been obtained, and are used to constrain orbit-based dynamical models and stellar population synthesis (SPS) fits, to unravel their structural and dynamical properties. We first show that our galaxies are outliers in the present-day stellar mass-size relation. They are, however, consistent with the mass-size relation of compact, massive and quiescent galaxies at redshift z = 2. The compact sizes of our nearby galaxies imply high central stellar mass surface densities, which are also in agreement with the massive galaxy population at higher redshift, hinting at strong dissipational processes during their formation. Corroborating evidence for a largely passive evolution within the last 10 Gyr is provided by their orbital distribution as well as their stellar populations, which are difficult to reconcile with a very active (major) merging history. This all supports that we can use nearby CEGs as local analogues of the high-redshift, massive and quiescent galaxy population, thus providing additional constraints for models of galaxy formation and evolution.

  8. Crystal structures and dynamical properties of dense CO2.

    Science.gov (United States)

    Yong, Xue; Liu, Hanyu; Wu, Min; Yao, Yansun; Tse, John S; Dias, Ranga; Yoo, Choong-Shik

    2016-10-04

    Structural polymorphism in dense carbon dioxide (CO2) has attracted significant attention in high-pressure physics and chemistry for the past two decades. Here, we have performed high-pressure experiments and first-principles theoretical calculations to investigate the stability, structure, and dynamical properties of dense CO2 We found evidence that CO2-V with the 4-coordinated extended structure can be quenched to ambient pressure below 200 K-the melting temperature of CO2-I. CO2-V is a fully coordinated structure formed from a molecular solid at high pressure and recovered at ambient pressure. Apart from confirming the metastability of CO2-V (I-42d) at ambient pressure at low temperature, results of ab initio molecular dynamics and metadynamics (MD) simulations provided insights into the transformation processes and structural relationship from the molecular to the extended phases. In addition, the simulation also predicted a phase V'(Pna21) in the stability region of CO2-V with a diffraction pattern similar to that previously assigned to the CO2-V (P212121) structure. Both CO2-V and -V' are predicted to be recoverable and hard with a Vicker hardness of ∼20 GPa. Significantly, MD simulations found that the CO2 in phase IV exhibits large-amplitude bending motions at finite temperatures and high pressures. This finding helps to explain the discrepancy between earlier predicted static structures and experiments. MD simulations clearly indicate temperature effects are critical to understanding the high-pressure behaviors of dense CO2 structures-highlighting the significance of chemical kinetics associated with the transformations.

  9. Properties of numerical experiments in chaotic dynamical systems

    Science.gov (United States)

    Yuan, Guo-Cheng

    1999-10-01

    This dissertation contains four projects that I have worked on during my graduate study at University of Maryland at College Park. These projects are all related to numerical simulations of chaotic dynamical systems. In particular, the two conjectures in Chapter 1 are inspired by the numerical discoveries in Hunt and Ott [1, 2]. In Chapter 2, statistical properties of scalar transport in chaotic flows are investigated by using numerical simulations. In Chapters 3 and 4, I take a different angle and discuss the limitations of numerical simulations; i.e. for certain ``bad'' systems numerical simulations will yield incorrect or at least unreliable results no matter how many digits of precision are used. Chapter 1 discusses the properties of optimal orbits. Given a dynamical system and a function f from the state space to the real numbers, an optimal orbit for f is an orbit over which the average of f is maximal. In this chapter we discuss some basic mathematical aspects of optimal orbits: existence, sensitivity to perturbations of f, and approximability by periodic orbits with low period. For hyperbolic systems, we conjecture that (1)for (topologically) generic smooth functions, there exists an optimal periodic orbit, and (2)the optimal average can be approximated exponentially well by averages over certain periodic orbits with increasing period. In Chapter 2 we theoretically study the power spectrum of passive scalars transported in two dimensional chaotic fluid flows. Using a wave-packet method introduced by Antonsen et al. [3] [4], we numerically investigate several model flows, and confirm that the power spectrum has the k -l- scaling predicted by Batchelor [5]. In Chapter 3 we consider a class of nonhyperbolic systems, for which there are two fixed points in an attractor having a dense trajectory; the unstable manifold of one fixed point has dimension one and the other's is two dimensional. Under the condition that there exists a direction which is more expanding

  10. Analysis of Dynamic Properties of Piezoelectric Structure under Impact Load

    Directory of Open Access Journals (Sweden)

    Taotao Zhang

    2015-10-01

    Full Text Available An analytical model of the dynamic properties is established for a piezoelectric structure under impact load, without considering noise and perturbations in this paper. Based on the general theory of piezo-elasticity and impact mechanics, the theoretical solutions of the mechanical and electrical fields of the smart structure are obtained with the standing and traveling wave methods, respectively. The comparisons between the two methods have shown that the standing wave method is better for studying long-time response after an impact load. In addition, good agreements are found between the theoretical and the numerical results. To simulate the impact load, both triangle and step pulse loads are used and comparisons are given. Furthermore, the influence of several parameters is discussed so as to provide some advices for practical use. It can be seen that the proposed analytical model would benefit, to some extent, the design and application (especially the airport runway of the related smart devices by taking into account their impact load performance.

  11. Dynamic soil properties for microzonation of Delhi, India

    Indian Academy of Sciences (India)

    C Hanumantharao; G V Ramana

    2008-11-01

    Delhi, the capital of India, has experienced mild seismic shaking during several earthquakes in the past. The large variations of depth to bedrock and ground water table coupled with different soil types at different locations of Delhi necessitate a seismic microzonation study. Dynamic soil properties such as shear wave velocity, modulus reduction and damping characteristics of local soils are the basic and essential input parameters for conducting even a preliminary ground response analysis which is an essential input in microzonation studies. Shear wave velocity is not measured routinely due to its high cost and lack of the required expertise. Several researchers in the past developed correlations between shear wave velocity (s) and routinely measured values. In the present study, shear wave velocity profiles measured in the field at more than 80 borehole locations to a depth of about 20 to 32m using Spectral Analysis of Surface Waves (SASW) are presented and correlations between shear wave velocity and values are also presented for use by engineers and designers. Results of strain and stress controlled cyclic triaxial tests on remoulded samples of sandsilt mixtures in the high strain range are used for generating the modulus reduction and damping curves and are compared with the well-known curves in the literature. The results presented in this article can be used for microzonation studies as well as site specific ground response analyses at Delhi.

  12. Dynamic Properties of Two-Dimensional Polydisperse Granular Gases

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    We propose a two-dimensional model of polydisperse granular mixtures with a power-law size distribution in the presence of stochastic driving. A fractal dimension D is introduced as a measurement of the inhomogeneity of the size distribution of particles. We define the global and partial granular temperatures of the multi-component mixture. By direct simulation Monte Carlo, we investigate how the inhomogeneity of the size distribution influences the dynamic properties of the mixture, focusing on the granular temperature, dissipated energy, velocity distribution, spatial clusterization, and collision time. We get the following results: a single granular temperature does not characterize a multi-component mixture and each species attains its own "granular temperature"; The velocity deviation from Gaussian distribution becomes more and more pronounced and the partial density of the assembly is more inhomogeneous with the increasing value of the fractal dimension D; The global granular temperature decreases and average dissipated energy per particle increases as the value of D augments.

  13. Mechanical properties of irradiated nanowires – A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Figueroa, Emilio [Grupo de NanoMateriales, Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla, 653 Santiago (Chile); Departamento de Física, Facultad de Ciencias Naturales, Matemática y del Medio Ambiente, Universidad Tecnológica Metropolitana, Santiago 7800002 (Chile); Tramontina, Diego [Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Cuyo, 5500 Mendoza (Argentina); Instituto de Bioingeniería, Universidad de Mendoza, 5500 Mendoza (Argentina); Gutiérrez, Gonzalo, E-mail: gonzalo@fisica.ciencias.uchile.cl [Grupo de NanoMateriales, Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla, 653 Santiago (Chile); Bringa, Eduardo [Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Cuyo, 5500 Mendoza (Argentina)

    2015-12-15

    In this work we study, by means of molecular dynamics simulation, the change in the mechanical properties of a gold nanowire with pre-existing radiation damage. The gold nanowire is used as a simple model for a nanofoam, made of connected nanowires. Radiation damage by keV ions leads to the formation of a stacking fault tetrahedron (SFT), and this defect leads to a reduced plastic threshold, as expected, when the nanowire is subjected to tension. We quantify dislocation and twin density during the deformation, and find that the early activation of the SFT as a dislocation source leads to reduced dislocation densities compared to the case without radiation damage. In addition, we observed a total destruction of the SFT, as opposed to a recent simulation study where it was postulated that SFTs might act as self-generating dislocation sources. The flow stress at large deformation is also found to be slightly larger for the irradiated case, in agreement with recent experiments. - Highlights: • Stacking Fault Tetrahedra (SFT) formation proceeds by cascades, containing typically a vacancy cluster and interstitials. • Applied tension leads to the destruction of the SFT, in contrast to a recently reported case of a SFT which soften the NW. • After the initial dislocation activity, strength is controlled by a few surviving dislocations.

  14. Hypervelocity impact properties of graphene armor via molecular dynamics simulations

    Directory of Open Access Journals (Sweden)

    Wang W.

    2012-08-01

    Full Text Available Hypervelocity impact properties of two different graphene armor systems are investigated using molecular dynamics simulations. One system is the so-called spaced armor which consists of a number of graphene plates spaced certain distance apart. Its response under normal impact of a spherical projectile is studied, focusing on the effect of the number of graphene monolayers per plate (denoted by n on the penetration resistance of the armor. We find that under normal impact by a spherical projectile the penetration resistance increases with decreasing number of monolayers per plate (n, and the best penetration resistance is achieved in the system with one graphene layer for each plate. Note that the monolayers in all the simulated multilayer graphene plates were AB-stacked. The second system being studied is the laminated copper/graphene composites with the graphene layers inside copper, on impact or back surface, or on both the impact and back surfaces. The simulation results show that under normal impact by a spherical projectile the laminated copper/graphene composite has much higher penetration resistance than the monolithic copper plate. The best efficiency is achieved when the graphene layers are on both the impact and back surfaces.

  15. A molecular dynamics study on surface properties of supercooled water

    Institute of Scientific and Technical Information of China (English)

    Lü; Yongjun

    2006-01-01

    [1]Basu J K,Hazra S,Sanyal M K.Growth mechanism of Langmuir-Blodgett films.Phys Rev Lett,1999,82:4675-4678[2]Taylor R S,Shields R L.Molecular-dynamics simulations of the ethanol liquid-vapor interface.J Chem Phys,2003,119:12569-12576[3]Velev O D,Gurkov T D,Ivanov I B,et al.Abnormal thickness and stability of nonequilibrium liquid films.Phys Rev Lett,1995,75:264-267[4]Weng J G,Park S,Lukes J R,et al.Molecular dynamics investigation of thickness effect on liquid films.J Chem Phys,2000,113:5917-5923[5]Zakharov V V,Brodskaya E N,Laaksonen A.Surface tension of water droplets:A molecular dynamics study of model and size dependencies.J Chem Phys,1997,107:10675-10683[6]Wang J Z,Chen M,Guo Z Y.A two-dimensional molecular dynamics simulation of liquid-vapor nucleation.Chin Sci Bull,2003,48(7):623-626[7]Guissani Y,Guillot B.A computer simulation study of the liquid-vapor coexistence curve of water.J Chem Phys,1993,98:8221-8235[8]Wilson M A,Pohorille A,Pratt L R.Surface potential of the water liquid-vapor interface.J Chem Phys,1988,88:3281-3285[9]Alejandre J,Tildesley D J,Chapela G A.Molecular dynamics simulation of the orthobaric densities and surface tension of water.J Chem Phys,1995,102:4574-4583[10]Matsumoto M,Kataoka Y.Study on liquid-vapor interface of water (Ⅰ):Simulational results of thermodynamic properties and orientational structure.J Chem Phys,1988,88:3233-3245[11]Floriano M A,Angell C A.Surface tension and molar surface free energy and entropy of water to-27.2℃.J Phys Chem,1990,94:4199-4202[12]Jorgensen W L,Chandrasekhar J,Madura J D.Comparison of simple potential functions for simulating liquid water.J Chem Phys,1993,79:926-935[13]Berendsen H J C,Grigera J R,Straatsma T P.The missing term in effective pair potentials.J Phys Chem,1987,91:6269-6271[14]Arbuckle B W,Clancy P.Effects of the Ewald sum on the free energy of the extended simple point charge model for water.J Chem Phys,2002,116:5090-5098[15]Tarazona P,Chacon E,Reinaldo-Falagan M,et al

  16. Giant magnetostructural coupling in Gd{sub 2/3}Ca{sub 1/3}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Correa, V F; Nieva, G; Haberkorn, N [Comision Nacional de Energia Atomica, Centro Atomico Bariloche, 8400 S. C. de Bariloche (Argentina); Saenger, N [Fachbereich Physik, Universitaet Konstanz, D-78457 Konstanz (Germany); Jorge, G, E-mail: victor.correa@cab.cnea.gov.a [Departamento de Fisica, FCEyN, Universidad de Buenos Aires (Argentina)

    2009-05-01

    We report high magnetic field magnetostructural studies on Gd{sub 2/3}Ca{sub 1/3}MnO{sub 3} single crystals. A giant linear magnetostrictive effect is observed in a wide temperature range (T < 120 K). Above 25 K a large hysteresis is seen reflecting the Mn magnetic moments ordering. At lower temperature (T < 15 K), a rather complicated field dependence arising from the competition between the Mn and Gd magnetic sublattices is observed. The relevance of the Gd ions in the low temperature behavior is further corroborated by specific heat experiments.

  17. First-order magnetic and magnetostructural transitions in the magnetocaloric compound MnNi{sub 0.73}Fe{sub 0.27}Ge

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Aili [Key Laboratory of Aerospace Materials and Performance (Ministry of Education), School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); State Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Liu, Jinghua [Key Laboratory of Aerospace Materials and Performance (Ministry of Education), School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Jiang, Chengbao, E-mail: jiangcb@buaa.edu.cn [Key Laboratory of Aerospace Materials and Performance (Ministry of Education), School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Liu, Enke; Wu, Guangheng [State Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2015-10-01

    Magnetic and magnetostructural transitions of MnNi{sub 0.73}Fe{sub 0.27}Ge have been studied by calorimetry and by magnetic measurements. The first-order MST from paramagnetic to ferromagnetic martensite shows a giant magnetic entropy change of −27 J/kg K for a magnetic-field change of 50 kOe around 233 K. A weak first-order magnetic transition is observed in the martensite phase over a large low-temperature range, with clear thermal hysteresis and increased saturation field. The origin is discussed on the basis of the competitiom between ferromagnetic and antiferromagnetic coupling with magneto-elastic coupling.

  18. First-order magnetic and magnetostructural transitions in the magnetocaloric compound MnNi0.73Fe0.27Ge

    Science.gov (United States)

    Sun, Aili; Liu, Jinghua; Jiang, Chengbao; Liu, Enke; Wu, Guangheng

    2015-10-01

    Magnetic and magnetostructural transitions of MnNi0.73Fe0.27Ge have been studied by calorimetry and by magnetic measurements. The first-order MST from paramagnetic to ferromagnetic martensite shows a giant magnetic entropy change of -27 J/kg K for a magnetic-field change of 50 kOe around 233 K. A weak first-order magnetic transition is observed in the martensite phase over a large low-temperature range, with clear thermal hysteresis and increased saturation field. The origin is discussed on the basis of the competitiom between ferromagnetic and antiferromagnetic coupling with magneto-elastic coupling.

  19. The low-temperature magnetostructure and magnetic field response of Pr0.9Ca0.1MnO3

    DEFF Research Database (Denmark)

    Udby, Linda

    2016-01-01

    With the goal of elucidating the background of photoinduced ferromagnetism phenomena observed in the perovskite structured (Pr,Ca) manganites, the low-temperature magnetostructure of the material Pr0.9Ca0.1MnO3 was revised using cold neutron powder diffraction, SQUID magnetometry and ab initio...... phase separation model of manganites to the material under discussion despite its very low Ca doping level in the context of the model. In the light of the new data, we also conclude that the low temperature magnetic moment of Pr must be ca. 300% larger than previously thought in this material, close...

  20. The study of measuring technology on the dynamic mechanical properties of welded joint with high strain rate

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    In this paper, to meet the needs of studying work of dynamic mechanical properties of welded joint, the dynamic mechanical properties of welded joint were measured by means of SHPB(Split Hopkinson Pressure Bar).The dynamic mechanical property's curves of every part of welded joint were obtained. For studying the dynamic behavior of mechanical heterogeneity of welded joint, important data were offered. The method of test creates a new way of studying dynamic mechanical properties of welded joint.

  1. Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations.

    Science.gov (United States)

    Mehere, Prajwalini; Han, Qian; Lemkul, Justin A; Vavricka, Christopher J; Robinson, Howard; Bevan, David R; Li, Jianyong

    2010-11-01

    Tyrosine aminotransferase (TAT) catalyzes the transamination of tyrosine and other aromatic amino acids. The enzyme is thought to play a role in tyrosinemia type II, hepatitis and hepatic carcinoma recovery. The objective of this study is to investigate its biochemical and structural characteristics and substrate specificity in order to provide insight regarding its involvement in these diseases. Mouse TAT (mTAT) was cloned from a mouse cDNA library, and its recombinant protein was produced using Escherichia coli cells and purified using various chromatographic techniques. The recombinant mTAT is able to catalyze the transamination of tyrosine using α-ketoglutaric acid as an amino group acceptor at neutral pH. The enzyme also can use glutamate and phenylalanine as amino group donors and p-hydroxy-phenylpyruvate, phenylpyruvate and alpha-ketocaproic acid as amino group acceptors. Through macromolecular crystallography we have determined the mTAT crystal structure at 2.9 Å resolution. The crystal structure revealed the interaction between the pyridoxal-5'-phosphate cofactor and the enzyme, as well as the formation of a disulphide bond. The detection of disulphide bond provides some rational explanation regarding previously observed TAT inactivation under oxidative conditions and reactivation of the inactive TAT in the presence of a reducing agent. Molecular dynamics simulations using the crystal structures of Trypanosoma cruzi TAT and human TAT provided further insight regarding the substrate-enzyme interactions and substrate specificity. The biochemical and structural properties of TAT and the binding of its cofactor and the substrate may help in elucidation of the mechanism of TAT inhibition and activation.

  2. Tyrosine Aminotransferase: Biochemical and Structural Properties and Molecular Dynamics Simulations

    Energy Technology Data Exchange (ETDEWEB)

    P Mehere; Q Han; J Lemkul; C Vavricka; H Robinson; D Bevan; J Li

    2011-12-31

    Tyrosine aminotransferase (TAT) catalyzes the transamination of tyrosine and other aromatic amino acids. The enzyme is thought to play a role in tyrosinemia type II, hepatitis and hepatic carcinoma recovery. The objective of this study is to investigate its biochemical and structural characteristics and substrate specificity in order to provide insight regarding its involvement in these diseases. Mouse TAT (mTAT) was cloned from a mouse cDNA library, and its recombinant protein was produced using Escherichia coli cells and purified using various chromatographic techniques. The recombinant mTAT is able to catalyze the transamination of tyrosine using {alpha}-ketoglutaric acid as an amino group acceptor at neutral pH. The enzyme also can use glutamate and phenylalanine as amino group donors and p-hydroxy-phenylpyruvate, phenylpyruvate and alpha-ketocaproic acid as amino group acceptors. Through macromolecular crystallography we have determined the mTAT crystal structure at 2.9 {angstrom} resolution. The crystal structure revealed the interaction between the pyridoxal-5'-phosphate cofactor and the enzyme, as well as the formation of a disulphide bond. The detection of disulphide bond provides some rational explanation regarding previously observed TAT inactivation under oxidative conditions and reactivation of the inactive TAT in the presence of a reducing agent. Molecular dynamics simulations using the crystal structures of Trypanosoma cruzi TAT and human TAT provided further insight regarding the substrate-enzyme interactions and substrate specificity. The biochemical and structural properties of TAT and the binding of its cofactor and the substrate may help in elucidation of the mechanism of TAT inhibition and activation.

  3. Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Mehere, P.; Robinson, H.; Han, Q.; Lemkul, J. A.; Vavricka, C. J.; Bevan, D. R.; Li, J.

    2010-11-01

    Tyrosine aminotransferase (TAT) catalyzes the transamination of tyrosine and other aromatic amino acids. The enzyme is thought to play a role in tyrosinemia type II, hepatitis and hepatic carcinoma recovery. The objective of this study is to investigate its biochemical and structural characteristics and substrate specificity in order to provide insight regarding its involvement in these diseases. Mouse TAT (mTAT) was cloned from a mouse cDNA library, and its recombinant protein was produced using Escherichia coli cells and purified using various chromatographic techniques. The recombinant mTAT is able to catalyze the transamination of tyrosine using {alpha}-ketoglutaric acid as an amino group acceptor at neutral pH. The enzyme also can use glutamate and phenylalanine as amino group donors and p-hydroxy-phenylpyruvate, phenylpyruvate and alpha-ketocaproic acid as amino group acceptors. Through macromolecular crystallography we have determined the mTAT crystal structure at 2.9 {angstrom} resolution. The crystal structure revealed the interaction between the pyridoxal-5'-phosphate cofactor and the enzyme, as well as the formation of a disulphide bond. The detection of disulphide bond provides some rational explanation regarding previously observed TAT inactivation under oxidative conditions and reactivation of the inactive TAT in the presence of a reducing agent. Molecular dynamics simulations using the crystal structures of Trypanosoma cruzi TAT and human TAT provided further insight regarding the substrate-enzyme interactions and substrate specificity. The biochemical and structural properties of TAT and the binding of its cofactor and the substrate may help in elucidation of the mechanism of TAT inhibition and activation.

  4. First-principles studies of phase stability and the structural and dynamical properties of metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Chou, M.Y.

    1992-04-01

    This report discusses the following topics: calculation of the Structural Properties of Yttrium; dynamical and pairing properties of {alpha}-YH{chi}; electronic and structural properties of YH{sub 2} and YH{sub 3}; phase diagram of hydrogen on Ru(000); peierls distortion in hexagonal YH{sub 3}; and study of hydrogen in niobium and palladium.

  5. Modeling of dynamic mechanical properties of polymer composites reinforced by one dimensional nanofillers

    Science.gov (United States)

    Yu, Y.; Lu, M.; Chen, M. H.; Wang, L. S.; Bu, Z. X.; Song, G.; Sun, L.

    2016-11-01

    Owing to their high aspect ratio, large specific surface area, high axial Young's modulus/strength, and low density, one dimensional carbon nanomaterials can introduce significant change to the mechanical properties of polymer matrices, both static and dynamic. Thus, one of the most important potential applications of carbon nanotubes or nanofibers is to utilize the enhanced dynamic damping properties of polymer nanocomposites for improved vibration, acoustic, and fatigue performances. This study focuses on calculating the nanocomposite energy dissipation under dynamic mechanical loading. A micromechanical model based on quasi-static stick-slip analysis has been developed to quantify the dynamic mechanical properties of the nanocomposites as a function of external strain in the elastic region. Storage and loss moduli are used to characterize such dynamic mechanical behaviors. Influences of nanotube bundling and nanotube alignment on the damping property of composites have been quantified. Simulation results are in good agreement with the reported experimental measurements.

  6. Visualizing global properties of a molecular dynamics trajectory.

    Science.gov (United States)

    Zhou, Hao; Li, Shangyang; Makowski, Lee

    2016-01-01

    Molecular dynamics (MD) trajectories are very large data sets that contain substantial information about the dynamic behavior of a protein. Condensing these data into a form that can provide intuitively useful understanding of the molecular behavior during the trajectory is a substantial challenge that has received relatively little attention. Here, we introduce the sigma-r plot, a plot of the standard deviation of intermolecular distances as a function of that distance. This representation of global dynamics contains within a single, one-dimensional plot, the average range of motion between pairs of atoms within a macromolecule. Comparison of sigma-r plots calculated from 10 ns trajectories of proteins representing the four major SCOP fold classes indicates diversity of dynamic behaviors which are recognizably different among the four classes. Differences in domain structure and molecular weight also produce recognizable features in sigma-r plots, reflective of differences in global dynamics. Plots generated from trajectories with progressively increasing simulation time reflect the increased sampling of the structural ensemble as a function of time. Single amino acid replacements can give rise to changes in global dynamics detectable through comparison of sigma-r plots. Dynamic behavior of substructures can be monitored by careful choice of interatomic vectors included in the calculation. These examples provide demonstrations of the utility of the sigma-r plot to provide a simple measure of the global dynamics of a macromolecule.

  7. States of change: Explaining dynamics by anticipatory state properties

    NARCIS (Netherlands)

    Treur, J.

    2008-01-01

    In Cognitive Science, recently Dynamical Systems Theory (DST) has been advocated as an approach to cognitive modelling that is better suited to the dynamics of cognitive processes than the symbolic/computational approaches are. Often the differences between DST and the symbolic/computational approac

  8. Ab initio molecular dynamics simulations of the static, dynamic and electronic properties of liquid lead using real-space pseudopotentials

    Energy Technology Data Exchange (ETDEWEB)

    Alemany, Manuel M. G. [Universidad de Santiago de Compostela; Longo, Roberto [Universidad de Santiago de Compostela; Gallego, Luis [Universidad de Santiago de Compostela; Gonzales, D. J. [Universidad de Valladolid; Gonzales, L. E. [Universidad de Valladolid; Tiago, Murilo L [ORNL; Chelikowsky, James [University of Texas, Austin

    2007-01-01

    We performed a comprehensive study of the static, dynamic and electronic properties of liquid Pb at T = 650 kelvins, density 0.0309 angstroms^{-3} by means of 216-particle ab initio molecular dynamics simulations based on a real-space implementation of pseudopotentials constructed within density-functional theory. The predicted results and available experimental data are very in good agreement, which confirms the adequacy of this technique to achieve a reliable description of the behavior of liquid metals, including their dynamic properties. Although some of the computed properties of liquid Pb are similar to those of simple liquid metals, others differ markedly. Our results show that an appropriate description of liquid Pb requires the inclusion of relativistic effects in the determination of the pseudopotentials of Pb.

  9. How do trehalose, maltose and sucrose influence some structural and dynamical properties of lysozyme ? An insight from Molecular Dynamics simulations

    CERN Document Server

    Lerbret, A; Affouard, F; Hedoux, A; Guinet, Y; Descamps, M

    2007-01-01

    The influence of three well-known disaccharides, namely trehalose, maltose and sucrose, on some structural and dynamical properties of lysozyme has been investigated by means of molecular dynamics computer simulations in the 37-60 wt % concentration range. The effects of sugars on the protein conformation are found relatively weak, in agreement with the preferential hydration of lysozyme. Conversely, sugars seem to increase significantly the relaxation times of the protein. These effects are shown to be correlated to the fractional solvent accessibilities of lysozyme residues and further support the slaving of protein dynamics. Moreover, a significant increase in the relaxation times of lysozyme, sugars and water molecules is observed within the studied concentration range and may result from the percolation of the hydrogen-bond network of sugar molecules. This percolation appears to be of primary importance to explain the influence of sugars on the dynamical properties of lysozyme and water.

  10. Ab-initio study of several static and dynamic properties of liquid palladium and platinum

    Directory of Open Access Journals (Sweden)

    González L. E.

    2017-01-01

    Full Text Available We report a study on several static and dynamic properties of liquid Pd and Pt metals at thermodynamic conditions near their respective triple points. The calculations have been carried out by an ab initio molecular dynamics simulation technique. Results are reported for several static structural magnitudes which are compared with the available X-ray diffraction. As for the dynamic properties, results have been obtained for both single and collective dynamical magnitudes as well as for some transport coeffcients which are compared with the corresponding experimental data.

  11. RESEARCH ON THE DYNAMIC PROPERTY OF PIEZOELECTRIC MICRO DISPLACEMENT ACTUATOR FOR BORING ERROR COMPENSATION

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The dynamic property of piezoelectric micro displacement actuator (PMDA) is analyzed, especially the mechanical characteristic, lag phase property and hysteresis phenomenon. The influence factors of static and dynamic mechanical characteristics and the lag phase property are analyzed systematically. Three main influence factors of lag phase property are discovered. With comparison to mechanical Coulomb friction, a generalized model of nonlinear hysteresis of PMDA is advanced, based on the essential analysis of nonlinear phenomenon. Finally the application of PMDA in error compensation control system of boring is introduced. A good compensation result is achieved.

  12. Dynamic Moisture Comfort Property of Fine Denier Polypropylene Fabric in Different Wind Speed Conditions

    Directory of Open Access Journals (Sweden)

    Hongyan Tu

    2013-05-01

    Full Text Available In order to study the moisture comfort property of fine denier polypropylene fiber fabric in different wind speed conditions, dynamic experiments were performed using Textile-Microclimate Measuring Instrument in climate chamber. The relative humidity variation curves of inner and outer surfaces of test fabrics were tested and the comprehensive index was introduced to evaluate fabric’s dynamic moisture comfort property. Results show that under four different environmental wind speed conditions, the dynamic moisture comfort property of fine denier polypropylene fiber fabric is much better than other fiber fabrics. In addition, grey mathematics theory was introduced to establish models to predict dynamic experiment’s results using static descriptive parameters. Four prediction models of dynamic comprehensive index were established and the predictive precision is much higher.

  13. Tuning viscoelastic properties of supramolecular peptide gels via dynamic covalent crosslinking.

    Science.gov (United States)

    Khalily, Mohammad Aref; Goktas, Melis; Guler, Mustafa O

    2015-02-21

    A dynamic covalent crosslinking approach is used to crosslink supramolecular peptide gels. This novel approach facilitates tuning viscoelastic properties of the gel and enhances mechanical stability (storage modulus exceeding 10(5) Pa) of the peptide gels.

  14. Spacecraft Proximity Operations Used to Estimate the Dynamical & Physical Properties of a Resident Space Object

    Science.gov (United States)

    2007-03-01

    Document, 2006. 26. D. Mehrholz, W. Flury R. Jehn H. Klinkrad M. Landgraf, L. Leushacke. “De- tecting, Tracking and Imaging Space Debris ”. Eurpean Space ...SPACECRAFT PROXIMITY OPERATIONS USED TO ESTIMATE THE DYNAMICAL & PHYSICAL PROPERTIES OF A RESIDENT SPACE OBJECT THESIS Abraham Franz Brunner, First...OPERATIONS USED TO ESTIMATE THE DYNAMICAL & PHYSICAL PROPERTIES OF A RESIDENT SPACE OBJECT THESIS Presented to the Faculty Department of Aeronautics and

  15. Nano-Wilhelmy investigation of dynamic wetting properties of AFM tips through tip-nanobubble interaction

    OpenAIRE

    2016-01-01

    The dynamic wetting properties of atomic force microscopy (AFM) tips are of much concern in many AFM-related measurement, fabrication, and manipulation applications. In this study, the wetting properties of silicon and silicon nitride AFM tips are investigated through dynamic contact angle measurement using a nano-Wilhelmy balance based method. This is done by capillary force measurement during extension and retraction motion of AFM tips relative to interfacial nanobubbles. The working princi...

  16. Static and dynamic properties of poly(3-hexylthiophene) films at liquid/vacuum interfaces.

    Science.gov (United States)

    Yimer, Yeneneh Y; Tsige, Mesfin

    2012-11-28

    All-atom molecular dynamics simulations are used to study static and dynamic properties of poly(3-hexylthiophene) (P3HT) films at liquid/vacuum interfaces with regards to their dependence on both temperature and molecular weight. The static properties of the films are characterized by calculating specific volume, interfacial width, orientational ordering of the hexyl groups, and surface tension. The specific volume found to be a monotonically decreasing function of the molecular weight while its dependence on temperature follows the Simha-Somcynsky's equation of state. The orientational ordering calculations show the hexyl groups protruding from the vacuum side of the interface, where the degree of order at the interface is found to be strongly dependent on both temperature and molecular weight. The surface tension values show a linear dependence on temperature and the molecular weight dependence is equally described by both M(-2∕3) and M(-1) power law models. The dynamic properties are quantified by calculating diffusion coefficients for the chain centers-of-mass and thiophene ring segments as well as first-order and second-order end-to-end vector autocorrelations and chain backbone torsion autocorrelation. All calculated dynamic properties show strong dependence on both temperature and molecular weight. All the autocorrelations are well described by Kohlrausch-Williams-Watts equation. Our detailed analysis of the static and dynamic properties of P3HT films show that the calculated static and dynamic properties data can be fit with well-known polymer models.

  17. Effect of dynamically charged helium on tensile properties of V-4Cr-4Ti

    Energy Technology Data Exchange (ETDEWEB)

    Chung, H.M.; Loomis, B.A.; Nowicki, L.; Smith, D.L. [Argonne National Lab., IL (United States)

    1995-04-01

    The objective of this work is to determine the effect of displacement damage and dynamically charged helium on tensile properties of V-4Cr-4Ti alloy irradiated to 18-31 dpa at 425-600{degree}C in the Dynamic Helium Charging Experiment (DHCE).

  18. Magneto-structural properties of Ni–Zn nanoferrites synthesized by the low-temperature auto-combustion method

    Indian Academy of Sciences (India)

    C O Ehi-Eromosele; B I Ita; E Ej Iweala; S A Adalikwu; P A L Anawe

    2015-09-01

    Using nickel, zinc and ferric nitrates, and glycine in a fuel-rich composition, Ni1–ZnFe2O4 nanoparticles were prepared by a simple low-temperature auto-combustion method without further sintering at high temperatures. The auto-combusted powders obtained were characterized by X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy, energy-dispersive X-ray (EDAX) analysis and vibrating scanning magnetometer measurements. XRD confirms the formation of pure nanocrystalline spinel phases with an average diameter of about 55 nm. Raman spectra show tetrahedral and octahedral sites in the structure of Ni1–ZnFe2O4 and also imply the doping of Zn2+ and displacement of Fe3+ ions from the tetrahedral site. EDAX showed that the samples were close to the nominal compositions. The magnetic measurement shows that the saturation magnetization and remanence magnetization decreases with the increase in the zinc content.

  19. Droplets in microchannels: dynamical properties of the lubrication film

    Science.gov (United States)

    Huerre, Axel; Theodoly, Olivier; Leshansky, Alexander; Valignat, Marie-Pierre; Cantat, Isabelle; Jullien, Marie-Caroline

    2015-11-01

    The motion of droplets or bubbles in confined geometries has been extensively studied; showing an intrinsic relationship between the lubrication film thickness and the droplet velocity. When capillary forces dominate, the lubrication film thickness evolves non linearly with the capillary number due to viscous dissipation both in the droplet and between meniscus and wall. However, this film may become thin enough (tens of nanometers) that intermolecular forces come into play and affect classical scalings. Our experiments yield highly resolved topographies of the shape of the interface and allow us to bring new insights into droplet dynamics in microfluidics. We find and characterize two distinct dynamical regimes, dominated respectively by capillary and intermolecular forces. In the first regime, we also identified a model with interfacial boundary condition considering only viscous stress continuity that agrees well with film thickness dynamics and interface velocity measurement.

  20. Analytical properties of a three-compartmental dynamical demographic model

    Science.gov (United States)

    Postnikov, E. B.

    2015-07-01

    The three-compartmental demographic model by Korotaeyv-Malkov-Khaltourina, connecting population size, economic surplus, and education level, is considered from the point of view of dynamical systems theory. It is shown that there exist two integrals of motion, which enables the system to be reduced to one nonlinear ordinary differential equation. The study of its structure provides analytical criteria for the dominance ranges of the dynamics of Malthus and Kremer. Additionally, the particular ranges of parameters enable the derived general ordinary differential equations to be reduced to the models of Gompertz and Thoularis-Wallace.

  1. Dynamic Properties of OffshoreWind Turbine Foundations

    DEFF Research Database (Denmark)

    Damgaard, Mads

    and soil damping applied as modal damping. The methods, however, do not account for the dynamic stiffness due to inertia forces, and a well-defined representation of the dissipation effects in the soil is neglected. This in turn forms the basis of the current PhD thesis that examines the soil...... of the dynamic wind turbine response. To overcome this, sequential or fully coupled aero-hydro-elastic simulations are often conducted where the soil?structure interaction is incorporated via the principle of an equivalent fixity depth or by a so-called Winkler approach with static springs along the foundation...

  2. Dynamical Properties of Potassium Ion Channels with a Hierarchical Model

    Institute of Scientific and Technical Information of China (English)

    ZHAN Yong; AN Hai-Long; YU Hui; ZHANG Su-Hua; HAN Ying-Rong

    2006-01-01

    @@ It is well known that potassium ion channels have higher permeability than K ions, and the permeable rate of a single K ion channel is about 108 ions per second. We develop a hierarchical model of potassium ion channel permeation involving ab initio quantum calculations and Brownian dynamics simulations, which can consistently explain a range of channel dynamics. The results show that the average velocity of K ions, the mean permeable time of K ions and the permeable rate of single channel are about 0.92nm/ns, 4.35ns and 2.30×108 ions/s,respectively.

  3. Lattice dynamics and a magnetic-structural phase transition in the nickel orthoborate N i3(BO3) 2

    Science.gov (United States)

    Pisarev, R. V.; Prosnikov, M. A.; Davydov, V. Yu.; Smirnov, A. N.; Roginskii, E. M.; Boldyrev, K. N.; Molchanova, A. D.; Popova, M. N.; Smirnov, M. B.; Kazimirov, V. Yu.

    2016-04-01

    Nickel orthoborate N i3(BO3) 2 having a complex orthorhombic structure Pnnm (No. 58, Z =2 ) of the kotoite type is known for quite a long time as an antiferromagnetic material below TN=46 K , but up to now its physical properties including the lattice dynamics have not been explored. Six [Ni O6 ] units of 2 a and 4 f types are linked via rigid [B O3 ] groups and these structural particularities impose restrictions on the lattice dynamics and spin-phonon interactions. We performed the symmetry analysis of the phonon modes at the center of the Brillouin zone. The structural parameters and phonon modes were calculated using the dmol3 program. We report and analyze results of infrared and Raman studies of phonon spectra measured in all required polarizations. Most of the even and odd phonons predicted on the basis of the symmetry analysis and theoretical calculations were reliably identified in the measured spectra. Clear evidence of the spin-phonon interaction was found for some particular phonons below TN. An unexpected emergence of several very narrow and weak phonon lines was observed in the infrared absorption spectra exactly at the magnetic ordering temperature TN. Moreover, anomalous behavior was found for some Raman phonons. The emergence of new phonon modes in the infrared and Raman spectra exactly at TN proves the existence of a magnetostructural phase transition of a new type in N i3(BO3) 2 . A possible nature of this transition is discussed.

  4. Static and dynamic through thickness lamina properties of thick laminates

    NARCIS (Netherlands)

    Lahuerta, F.; Nijssen, R.P.L.; Van der Meer, F.P.; Sluys, L.J.

    2015-01-01

    Thick laminates are increasingly present in large composites structures such as wind turbine blades. Different factors are suspected to be involved in the decreased static and dynamic performance of thick laminates. These include the effect of self-heating, the scaling effect, and the manufacturing

  5. Structure and Dynamic Properties of Membrane Proteins using NMR

    DEFF Research Database (Denmark)

    Rösner, Heike; Kragelund, Birthe

    2012-01-01

    , a large variety of developments of well-established techniques are available providing insight into membrane protein flexibility, dynamics, and interactions. Inspired by the speed of development in the application of new strategies, by invention of methods to measure solvent accessibility and describe low...

  6. Dynamic test devices for analyzing the tensile properties of concrete

    NARCIS (Netherlands)

    Forquin, P.; Riedel, W.; Weerheijm, J.

    2013-01-01

    Owing to their low tensile failure strain, concrete is a difficult material to test under dynamic tensile loading. Indeed, conventional testing apparatuses such as high-speed hydraulic presses or Split Hopkinson Bar facilities rely on a mechanical balance of the specimen implying a short round-trip

  7. Universal properties of dynamically complex systems - The organization of chaos

    Science.gov (United States)

    Procaccia, Itamar

    1988-06-01

    The complex dynamic behavior of natural systems far from equilibrium is discussed. Progress that has been made in understanding universal aspects of the paths to such behavior, of the trajectories at the borderline of chaos, and of the nature of the complexity in the chaotic regime, is reviewed. The emerging grammar of chaos is examined.

  8. Dynamic Resource Management under Weak Property Rights : A Tale of Thieves and Trespassers

    NARCIS (Netherlands)

    Rodriguez Acosta, Mauricio; Smulders, Sjak

    2016-01-01

    Using a dynamic framework with strategic interactions, we study the management of a non-renewable natural resource when property rights are generally weak. Under generally weak property rights both the resource stock and the revenues from exploiting it are imperfectly protected, due to trespassing a

  9. Magneto-structural studies of sol–gel synthesized nanocrystalline manganese substituted nickel ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Pandav, R.S. [Department of Chemistry, Shivaji University, Kolhapur 416004, MH (India); Patil, R.P. [Department of Chemistry, M.H. Shinde Mahavidyalaya, Tisangi 416206, MH (India); Chavan, S.S. [Department of Chemistry, Shivaji University, Kolhapur 416004, MH (India); Mulla, I.S. [Centre for Materials for Electronics and Technology (C-MET), Panchavati, Pune 411008 (India); Hankare, P.P., E-mail: p_hankare@rediffmail.com [Department of Chemistry, Shivaji University, Kolhapur 416004, MH (India)

    2016-11-01

    Nanocrystalline NiFe{sub 2−x}Mn{sub x}O{sub 4} (2≥x≥0) ferrites were prepared by sol–gel method. X-ray diffraction patterns reveal that synthesized compounds are in single phase cubic spinel lattice for all the composition. The surface morphology of all the samples were studied by scanning electron microscopy. The particle size measured from transmission electron microscopy and X-ray diffraction patterns confirms the nanosized dimension of the as-prepared powder. The elemental analysis was carried out by energy dispersive X-ray analysis technique. Magnetic properties such as saturation magnetization, coercivity and remanence are studied as a function of increasing Mn concentration at room temperature. The saturation magnetization shows a decreasing trend with increase in Mn content. The substitution of manganese in the nickel ferrite affects the structural and magnetic properties of cubic spinels. - Highlights: • NiFe{sub 2−x}Mn{sub x}O{sub 4} system was synthesized by a chemical combustion route. • All samples shows cubic phase. • All the synthesized ferrospinels are in nanocrystalline form. • The saturation magnetization decreases with increase in Mn content.

  10. Spectral properties of the one-dimensional Hubbard model: cluster dynamical mean-field approaches

    Science.gov (United States)

    Go, Ara; Jeon, Gun Sang

    2011-03-01

    We investigate static and dynamic properties of the one-dimensional Hubbard model using cluster extensions of the dynamical mean-field theory. It is shown that the two different extensions, the cellular dynamical mean-field theory and the dynamic cluster approximation, yield the ground-state properties which are qualitatively in good agreement with each other. We compare the results with the Bethe ansatz results to check the accuracy of the calculation with finite sizes of clusters. We also analyze the spectral properties of the model with the focus on the spin-charge separation and discuss the dependency on the cluster size in the two approaches. This research was supported by Basic Science Research Program through the National Research Foundation of Korea(NRF) funded by the Ministry of Education, Science and Technology(2010-0010937).

  11. The dynamic properties of the two-level entangled atom in an optical field

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The interaction of an optical field and one of the entangled atoms is analyzed in detail in this paper. Furthermore, the dynamic properties of the two-level entangled atom are manifested. The properties of the action are dependent on the initial state of the atom. After detecting the atom out of the field, we can obtain the state of the other atom moving in the field. It is shown that the state of the atom out of the field influences the dynamic properties of the atom in the field.

  12. Dynamical systems approach and generic properties of f (T ) cosmology

    Science.gov (United States)

    Hohmann, Manuel; Järv, Laur; Ualikhanova, Ulbossyn

    2017-08-01

    We present a systematic analysis of the dynamics of flat Friedmann-Lemaître-Robertson-Walker cosmological models with radiation and dust matter in generalized teleparallel f (T ) gravity. We show that the cosmological dynamics of this model are fully described by a function W (H ) of the Hubble parameter, which is constructed from the function f (T ) . After reducing the phase space to two dimensions, we derive the conditions on W (H ) for the occurrence of de Sitter fixed points, accelerated expansion, crossing the phantom divide, and finite time singularities. Depending on the model parameters, it is possible to have a bounce (from contraction to expansion) or a turnaround (from expansion to contraction), but cyclic or oscillating scenarios are prohibited. As an illustration of the formalism we consider power law f (T )=T +α (-T )n models, and show that these allow only one period of acceleration and no phantom divide crossing.

  13. Dynamical Transport Property through an Interacting Quantum Wire

    Institute of Scientific and Technical Information of China (English)

    CHENG Fang; ZHOU Guang-Hui

    2005-01-01

    @@ Using the equation of motion, we investigate theoretically the dynamical ac conductance of a clean Luttingerliquid quantum wire adiabatically coupled to Fermi liquid electron reservoirs in the presence of short-ranged electron-electron interactions. For a perfect single mode quantum wire, in the limit of zero-ranged interaction we conclude that the static dc conductance of ω→ 0 is e2/h, which is independent of the electron interactions. While in the dynamical case of ω≠ 0, the ac conductance oscillates with the amplitude e2/h and the period which depends on the interaction strength and the driving frequency as well as the position in the wire.

  14. Overall Dynamic Properties of 3-D periodic elastic composites

    CERN Document Server

    Srivastava, Ankit

    2011-01-01

    A method for the homogenization of 3-D periodic elastic composites is presented. It allows for the evaluation of the averaged overall frequency dependent dynamic material constitutive tensors relating the averaged dynamic ?eld variable tensors of velocity, strain, stress, and linear momentum. The formulation is based on micromechanical modeling of a representative unit cell of a composite proposed by Nemat-Nasser & Hori (1993), Nemat-Nasser et. al. (1982) and Mura (1987) and is the 3-D generalization of the 1-D elastodynamic homogenization scheme presented by Nemat-Nasser & Srivastava (2011). We show that for 3-D periodic composites the overall compliance (stiffness) tensor is hermitian, irrespective of whether the corresponding unit cell is geometrically or materially symmetric.Overall mass density is shown to be a tensor and, like the overall compliance tensor, always hermitian. The average strain and linear momentum tensors are, however, coupled and the coupling tensors are shown to be each others'...

  15. Molecular dynamics simulation of nanocrystalline nickel: structure and mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Swygenhoven, H. van [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Caro, A. [Comision Nacional de Energia Atomica, San Carlos de Bariloche (Argentina). Centro Atomico Bariloche

    1997-09-01

    Molecular dynamics computer simulations of low temperature elastic and plastic deformation of Ni nanophase samples (3-7 nm) are performed. The samples are polycrystals nucleated from different seeds, with random locations and orientations. Bulk and Young`s modulus, onset of plastic deformation and mechanism responsible for the plastic behaviour are studied and compared with the behaviour of coarse grained samples. (author) 1 fig., 3 refs.

  16. Some Dynamical Properties in Set-valued Discrete Systems

    Institute of Scientific and Technical Information of China (English)

    马先峰; 廖公夫; 李勇

    2005-01-01

    A discrete dynamical system can be expressed as xn+1 =f(xn), n=0,1, 2,... where X isa metric space and f : X→X is a continuous map. The study of it tells us how the points in the base space X moved. Nevertheless, this is not enough for the researches of biological species, demography, numerical simulation and attractors (see [1], [2]).

  17. Static and dynamic properties of large polymer melts in equilibrium

    Science.gov (United States)

    Hsu, Hsiao-Ping; Kremer, Kurt

    2016-04-01

    We present a detailed study of the static and dynamic behaviors of long semiflexible polymer chains in a melt. Starting from previously obtained fully equilibrated high molecular weight polymer melts [G. Zhang et al., ACS Macro Lett. 3, 198 (2014)], we investigate their static and dynamic scaling behaviors as predicted by theory. We find that for semiflexible chains in a melt, results of the mean square internal distance, the probability distributions of the end-to-end distance, and the chain structure factor are well described by theoretical predictions for ideal chains. We examine the motion of monomers and chains by molecular dynamics simulations using the ESPResSo++ package. The scaling predictions of the mean squared displacement of inner monomers, center of mass, and relations between them based on the Rouse and the reptation theory are verified, and related characteristic relaxation times are determined. Finally, we give evidence that the entanglement length Ne,PPA as determined by a primitive path analysis (PPA) predicts a plateau modulus, GN 0 = /4 5 ( ρ k B T / N e ) , consistent with stresses obtained from the Green-Kubo relation. These comprehensively characterized equilibrium structures, which offer a good compromise between flexibility, small Ne, computational efficiency, and small deviations from ideality, provide ideal starting states for future non-equilibrium studies.

  18. Acoustic properties in glycerol glass-former: Molecular dynamics simulation

    Science.gov (United States)

    Busselez, Remi; Pezeril, Thomas; Institut des Materiaux et Molecules du Mans Team

    2013-03-01

    Study of high-frequency collective dynamics around TeraHertz region in glass former has been a subject of intense investigations and debates over the past decade. In particular, the presence of the Boson peak characteristic of glassy material and its relation to other glass anomalies. Recently, experiments and simulations have underlined possible relation between Boson peak and transverse acoustic modes in glassy materials. In particular, simulations of simple Lennard Jones glass former have shown a relation between Ioffe-Regel criterion in transverse modes and Boson peak. We present here molecular dynamics simulation on high frequency dynamics of glycerol. In order to study mesoscopic order (0.5-5nm-1), we made use of large simulation box containing 80000 atoms. Analysis of collective longitudinal and transverse acoustic modes shows striking similarities in comparison with simulation of Lennard-Jones particles. In particular, it seems that a connection may exist between Ioffe-Regel criterion for transverse modes and Bose Peak frequency. However,in our case we show that this connection may be related with structural correlation arising from molecular clusters.

  19. Magnetostructural transition in NdCu{sub 2}. Evidence for an axis conversion like behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Kramp, S.; Doerr, M.; Rotter, M.; Loewenhaupt, M. [Technische Univ. Dresden (Germany). Inst. fuer Angewandte Physik und Didaktik der Physik; Kamp, R. v.d. [Hahn-Meitner-Institut Berlin GmbH (Germany)

    2000-12-01

    The magnetic (H,T)-phase diagram of the orthorhombic compound NdCu{sub 2} was investigated for external magnetic fields up to 15 T parallel to the crystallographic c-direction. Magnetization and magnetostriction measurements reveal an anomalous change of the magnetic properties as well as giant magnetostriction (GMS) and large hysteretic effects. This behaviour is similar to that observed in some other RCu{sub 2} compounds where it has been interpreted as a conversion of the magnetic Ising axis. In contrast to these other RCu{sub 2} compounds, however, the easy axis of magnetization in NdCu{sub 2} is the b-axis. The macroscopic measurements are compared with neutron diffraction experiments which reveal GMS along the b-axis and a new magnetic phase with propagation vector {tau}=(0.7 0 0) in the converted crystal. (orig.)

  20. Asymmetric “melting” and “freezing” kinetics of the magnetostructural phase transition in B2-ordered FeRh epilayers

    Energy Technology Data Exchange (ETDEWEB)

    Vries, M. A. de, E-mail: m.a.devries@ed.ac.uk [School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT (United Kingdom); School of Chemistry, University of Edinburgh, Edinburgh EH9 3JJ (United Kingdom); Loving, M.; Lewis, L. H. [Department of Chemical Engineering, Northeastern University, Boston, Massachusetts 02115 (United States); McLaren, M.; Brydson, R. M. D. [Institute for Materials Research, University of Leeds, Leeds LS2 9JT (United Kingdom); Liu, X. [Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973 (United States); Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100871 (China); Langridge, S. [ISIS, Harwell Science and Innovation Campus, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Didcot, Oxon OX11 0QX (United Kingdom); Marrows, C. H., E-mail: c.h.marrows@leeds.ac.uk [School of Physics and Astronomy, University of Leeds, Leeds LS2 9JT (United Kingdom)

    2014-06-09

    Synchrotron X-ray diffraction was used to study the phase transformation processes during the magnetostructural transition in a B2-ordered FeRh (001)-oriented epilayer grown on MgO by sputtering. Out-of-plane lattice constant measurements within the hysteretic regime of the transition reveal a microstructure consistent with the coexistence of lattice-expanded and contracted phases in spatially distinct regions. It was found that the phase separation is more pronounced during cooling than heating. Furthermore, whilst lattice-expanded domains that span the height of the film can be undercooled by several kelvins, there is no equivalent superheating. This asymmetry between the cooling and heating processes in FeRh is consistent with the difference in the kinetics of generic freezing and melting transitions.

  1. A Database of Force-Field Parameters, Dynamics, and Properties of Antimicrobial Compounds

    Directory of Open Access Journals (Sweden)

    Giuliano Malloci

    2015-08-01

    Full Text Available We present an on-line database of all-atom force-field parameters and molecular properties of compounds with antimicrobial activity (mostly antibiotics and some beta-lactamase inhibitors. For each compound, we provide the General Amber Force Field parameters for the major species at physiological pH, together with an analysis of properties of interest as extracted from µs-long molecular dynamics simulations in explicit water solution. The properties include number and population of structural clusters, molecular flexibility, hydrophobic and hydrophilic molecular surfaces, the statistics of intraand inter-molecular H-bonds, as well as structural and dynamical properties of solvent molecules within first and second solvation shells. In addition, the database contains several key molecular parameters, such as energy of the frontier molecular orbitals, vibrational properties, rotational constants, atomic partial charges and electric dipole moment, computed by Density Functional Theory. The present database (to our knowledge the first extensive one including dynamical properties is part of a wider project aiming to build-up a database containing structural, physico-chemical and dynamical properties of medicinal compounds using different force-field parameters with increasing level of complexity and reliability. The database is freely accessible at http://www.dsf.unica.it/translocation/db/.

  2. Residual stress induced stabilization of martensite phase and its effect on the magnetostructural transition in Mn-rich Ni-Mn-In/Ga magnetic shape-memory alloys

    Science.gov (United States)

    Singh, Sanjay; Kushwaha, Pallavi; Scheibel, F.; Liermann, Hanns-Peter; Barman, S. R.; Acet, M.; Felser, C.; Pandey, Dhananjai

    2015-07-01

    The irreversibility of the martensite transition in magnetic shape memory alloys (MSMAs) with respect to the external magnetic field is one of the biggest challenges that limits their application as giant caloric materials. This transition is a magnetostructural transition that is accompanied with a steep drop in magnetization (i.e.,Δ M ) around the martensite start temperature (Ms) due to the lower magnetization of the martensite phase. In this Rapid Communication, we show that Δ M around Ms in Mn-rich Ni-Mn-based MSMAs gets suppressed by two orders of magnitude in crushed powders due to the stabilization of the martensite phase at temperatures well above Ms and the austenite finish (Af) temperatures due to residual stresses. Analysis of the intensities and the FWHM of the x-ray powder-diffraction patterns reveals stabilized martensite phase fractions as 97 % , 75 % , and 90 % with corresponding residual microstrains as 5.4 % , 5.6 % , and 3 % in crushed powders of the three different Mn-rich Ni-Mn alloys, namely, M n1.8N i1.8I n0.4 , M n1.75N i1.25Ga , and M n1.9N i1.1Ga , respectively. Even after annealing at 773 K, the residual stress stabilized martensite phase does not fully revert to the equilibrium cubic austenite phase as the magnetostructural transition is only partially restored with a reduced value of Δ M . Our results have a very significant bearing on the application of such alloys as inverse magnetocaloric and barocaloric materials.

  3. Molecular properties of aqueous solutions: a focus on the collective dynamics of hydration water.

    Science.gov (United States)

    Comez, L; Paolantoni, M; Sassi, P; Corezzi, S; Morresi, A; Fioretto, D

    2016-07-07

    When a solute is dissolved in water, their mutual interactions determine the molecular properties of the solute on one hand, and the structure and dynamics of the surrounding water particles (the so-called hydration water) on the other. The very existence of soft matter and its peculiar properties are largely due to the wide variety of possible water-solute interactions. In this context, water is not an inert medium but rather an active component, and hydration water plays a crucial role in determining the structure, stability, dynamics, and function of matter. This review focuses on the collective dynamics of hydration water in terms of retardation with respect to the bulk, and of the number of molecules whose dynamics is perturbed. Since water environments are in a dynamic equilibrium, with molecules continuously exchanging from around the solute towards the bulk and vice versa, we examine the ability of different techniques to measure the water dynamics on the basis of the explored time scales and exchange rates. Special emphasis is given to the collective dynamics probed by extended depolarized light scattering and we discuss whether and to what extent the results obtained in aqueous solutions of small molecules can be extrapolated to the case of large biomacromolecules. In fact, recent experiments performed on solutions of increasing complexity clearly indicate that a reductionist approach is not adequate to describe their collective dynamics. We conclude this review by presenting current ideas that are being developed to describe the dynamics of water interacting with macromolecules.

  4. Influence of the transition width on the magnetocaloric effect across the magnetostructural transition of Heusler alloys.

    Science.gov (United States)

    Cugini, F; Porcari, G; Fabbrici, S; Albertini, F; Solzi, M

    2016-08-13

    We report a complete structural and magneto-thermodynamic characterization of four samples of the Heusler alloy Ni-Co-Mn-Ga-In, characterized by similar compositions, critical temperatures and high inverse magnetocaloric effect across their metamagnetic transformation, but different transition widths. The object of this study is precisely the sharpness of the martensitic transformation, which plays a key role in the effective use of materials and which has its origin in both intrinsic and extrinsic effects. The influence of the transition width on the magnetocaloric properties has been evaluated by exploiting a phenomenological model of the transformation built through geometrical considerations on the entropy versus temperature curves. A clear result is that a large temperature span of the transformation is unfavourable to the magnetocaloric performance of a material, reducing both isothermal entropy change and adiabatic temperature change obtainable in a given magnetic field and increasing the value of the maximum field needed to fully induce the transformation. The model, which is based on standard magnetometric and conventional calorimetric measurements, turns out to be a convenient tool for the determination of the optimum values of transformation temperature span in a trade-off between sheer performance and amplitude of the operating range of a material.This article is part of the themed issue 'Taking the temperature of phase transitions in cool materials'.

  5. Probing magnetostructural correlations in multiferroic HoA l3(BO3) 4

    Science.gov (United States)

    Zhang, H.; Yu, T.; Chen, Z.; Nelson, C. S.; Bezmaternykh, L. N.; Abeykoon, A. M. M.; Tyson, T. A.

    2015-09-01

    The system HoA l3(BO3) 4 has recently been found to exhibit a large magnetoelectric effect. To understand the mechanism, macroscopic and atomic level properties of HoA l3(BO3) 4 were explored by temperature and magnetic field dependent heat capacity measurements, pressure and temperature dependent x-ray diffraction measurements, as well as temperature and magnetic field dependent x-ray absorption fine structure measurements. The experimental work was complemented by density functional theory calculations. An anomalous change in the structure is found in the temperature range where large magnetoelectric effects occur. No significant structural change or distortion of the Ho O6 polyhedra is seen to occur with magnetic field. However, the magnetic field dependent structural measurements reveal enhanced correlation between neighboring Ho O6 polyhedra. This observed response is seen to saturate near 3 T. A qualitative atomic level description of the mechanism behind the large electric polarization induced by magnetic fields in the general class of RA l3(BO3) 4 systems (R = rare earth) is developed.

  6. Viscoelastic and dynamic properties of embryonic stem cells

    DEFF Research Database (Denmark)

    Ritter, Christine

    ofthe cells themselves. In this thesis, the viscoelastic properties of mouse embryonic stem cells primedeither toward the epiblast (Epi) or the primitive endoderm (PrE) lineage were investigated.Optical tweezers were used to measure the fluctuations of endogenous lipid granules and therebydraw......Stem cells are often referred to as the ‘holy grail’ of regenerative medicine, because they possessthe ability to develop into any cell type. The use of stem cells within medicine is currently limited bythe effectivity of differentiation and cell reprogramming protocols, making it therefore...... imperative tounderstand stem cells’ differentiation mechanisms better. Studies have shown that mechanical cuescan have an influence on stem cell fate decision. However, in order to understand the reaction of stemcells to mechanical input, one should first investigate and understand the mechanical properties...

  7. Dynamic properties of bacterial pili measured by optical tweezers

    CERN Document Server

    Fallman, Erik; Schedin, Staffan; Jass, Jana; Uhlin, Bernt Eric; Axner, Ove

    2014-01-01

    The ability of uropathogenic Escherichia coli (UPEC) to cause urinary tract infections is dependent on their ability to colonize the uroepithelium. Infecting bacteria ascend the urethra to the bladder and then kidneys by attaching to the uroepithelial cells via the differential expression of adhesins. P pili are associated with pyelonephritis, the more severe infection of the kidneys. In order to find means to treat pyelonephritis, it is therefore of interest to investigate the properties P pili. The mechanical behavior of individual P pili of uropathogenic Escherichia coli has recently been investigated using optical tweezers. P pili, whose main part constitutes the PapA rod, composed of ~1000 PapA subunits in a helical arrangement, are distributed over the bacterial surface and mediate adhesion to host cells. We have earlier studied P pili regarding its stretching/elongation properties where we have found and characterized three different elongation regions, of which one constitute an unfolding of the quate...

  8. Viscoelastic and dynamic properties of embryonic stem cells

    DEFF Research Database (Denmark)

    Ritter, Christine

    Stem cells are often referred to as the ‘holy grail’ of regenerative medicine, because they possessthe ability to develop into any cell type. The use of stem cells within medicine is currently limited bythe effectivity of differentiation and cell reprogramming protocols, making it therefore...... imperative tounderstand stem cells’ differentiation mechanisms better. Studies have shown that mechanical cuescan have an influence on stem cell fate decision. However, in order to understand the reaction of stemcells to mechanical input, one should first investigate and understand the mechanical properties...... ofthe cells themselves. In this thesis, the viscoelastic properties of mouse embryonic stem cells primedeither toward the epiblast (Epi) or the primitive endoderm (PrE) lineage were investigated.Optical tweezers were used to measure the fluctuations of endogenous lipid granules and therebydraw...

  9. Thermal transport properties of uranium dioxide by molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Taku; Sinnott, Susan B. [Department of Materials Science and Engineering, University of Florida, Gainesville, FL 32611 (United States); Tulenko, James S. [Department of Nuclear and Radiological Engineering, University of Florida, Gainesville, FL 32611 (United States); Grimes, Robin W. [Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom); Schelling, Patrick K. [AMPAC and Department of Physics, University of Central Florida, Orlando, FL 32816 (United States); Phillpot, Simon R. [Department of Materials Science and Engineering, University of Florida, Gainesville, FL 32611 (United States)], E-mail: sphil@mse.ufl.edu

    2008-04-30

    The thermal conductivities of single crystal and polycrystalline UO{sub 2} are calculated using molecular dynamics simulations, with interatomic interactions described by two different potential models. For single crystals, the calculated thermal conductivities are found to be strongly dependent on the size of the simulation cell. However, a scaling analysis shows that the two models predict essentially identical values for the thermal conductivity for infinite system sizes. By contrast, simulations with the two potentials for identical fine polycrystalline structures yield estimated thermal conductivities that differ by a factor of two. We analyze the origin of this difference.

  10. Molecular dynamics simulation of thermodynamical properties of copper clusters

    Institute of Scientific and Technical Information of China (English)

    Wu Zhi-Min; Wang Xin-Qiang; Yang Yuan-Yuan

    2007-01-01

    The melting and freezing processes of CuN (N = 180, 256, 360, 408, 500, 628 and 736) nanoclusters are simulated by using micro-canonical molecular dynamics simulation technique. The potential energies and the heat capacities as a function of temperature are obtained. The results reveal that the melting and freezing points increase almost linearly with the atom number in the cluster increasing. All copper nanoclusters have negative heat capacity around the melting and freezing points, and hysteresis effect in the melting/freezing transition is derived in CuN nanoclusters for the first time.

  11. Core-shell colloidal particles with dynamically tunable scattering properties.

    Science.gov (United States)

    Meng, Guangnan; Manoharan, Vinothan N; Perro, Adeline

    2017-09-27

    We design polystyrene-poly(N'-isopropylacrylamide-co-acrylic acid) core-shell particles that exhibit dynamically tunable scattering. We show that under normal solvent conditions the shell is nearly index-matched to pure water, and the particle scattering is dominated by Rayleigh scattering from the core. As the temperature or salt concentration increases, both the scattering cross-section and the forward scattering increase, characteristic of Mie scatterers. The magnitude of the change in the scattering cross-section and scattering anisotropy can be controlled through the solvent conditions and the size of the core. Such particles may find use as optical switches or optical filters with tunable opacity.

  12. The World-Trade Web: Topological Properties, Dynamics, and Evolution

    OpenAIRE

    Fagiolo, Giorgio; Reyes, Javier; Schiavo, Stefano

    2008-01-01

    This paper studies the statistical properties of the web of import-export relationships among world countries using a weighted-network approach. We analyze how the distributions of the most important network statistics measuring connectivity, assortativity, clustering and centrality have co-evolved over time. We show that all node-statistic distributions and their correlation structure have remained surprisingly stable in the last 20 years -- and are likely to do so in the future. Conversely,...

  13. A plasmonic fluid with dynamically tunable optical properties

    KAUST Repository

    Bhattacharjee, Rama Ranjan

    2009-01-01

    We report the first synthesis of a gold nanorod (GNR)-based nanocomposite that exhibits solid-like plasmonic properties while behaving in a liquid-like manner. Tuning the degree of GNR clustering controls the material\\'s responsiveness to external stimuli, such as mechanical shearing, due to the sensitivity of the localized surface plasmon resonance to interparticle interactions. © 2009 The Royal Society of Chemistry.

  14. Size dependency and potential field influence on deriving mechanical properties of carbon nanotubes using molecular dynamics

    Directory of Open Access Journals (Sweden)

    K.G.S. Dilrukshi

    2015-07-01

    Full Text Available A thorough understanding on the mechanical properties of carbon nanotube (CNT is essential in extending the advanced applications of CNT based systems. However, conducting experiments to estimate mechanical properties at this scale is extremely challenging. Therefore, development of mechanistic models to estimate the mechanical properties of CNTs along with the integration of existing continuum mechanics concepts is critically important. This paper presents a comprehensive molecular dynamics simulation study on the size dependency and potential function influence of mechanical properties of CNT. Commonly used reactive bond order (REBO and adaptive intermolecular reactive bond order (AIREBO potential functions were considered in this regard. Young’s modulus and shear modulus of CNTs are derived by integrating classical continuum mechanics concepts with molecular dynamics simulations. The results indicate that the potential function has a significant influence on the estimated mechanical properties of CNTs, and the influence of potential field is much higher when studying the torsional behaviour of CNTs than the tensile behaviour.

  15. Correlating dynamic amino acid properties with success rate of crystallization of proteins from Bacteroides vulgatus

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Shaomin [State Key Laboratory of Non-food Biomass Enzyme Technology, National Engineering Research Center for Non-food Biorefinery, Guangxi Key Laboratory of Biorefinery, Guangxi Academy of Sciences, 98 Daling Road, Nanning, Guangxi, 530007 (China); Wu, Guang [State Key Laboratory of Non-food Biomass Enzyme Technology, National Engineering Research Center for Non-food Biorefinery, Guangxi Key Laboratory of Biorefinery, Guangxi Academy of Sciences, 98 Daling Road, Nanning, Guangxi, 530007 (China); DreamSciTech Consulting, 301, Building 12, Nanyou A-zone, Jiannan Road, Shenzhen, Guangdong, 518054 (China)

    2012-05-15

    To enhance the success rate of protein crystallization, many studies were conducted to determine the relationship between amino acid properties and the success rate of protein crystallization. Although those were successful, new efforts should be made to search for the new factors, which affect protein crystallization. In this study, two dynamic amino acid properties were used to correlate with the success rate of crystallization of proteins from Bacteroides vulgatus, because the amino acid properties used in previous studies were steady. As previously done, logistic regression and neural network were used to model that relationship, and the results were compared against those obtained from each of 532 amino acid properties, which severed as benchmark. The results demonstrated that dynamic amino acid properties should be taken into consideration of protein crystallization. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Change of Static and Dynamic Elastic Properties due to CO² Injection in North Sea Chalk

    DEFF Research Database (Denmark)

    Alam, Mohammad Monzurul; Hjuler, M.L.; Christensen, H.F.;

    2012-01-01

    Reservoir modeling and monitoring uses dynamic data for predicting and determining static changes. Dynamic data are achieved from the propagation velocity of elastic waves in rock while static data are obtained from the mechanical deformation. Reservoir simulation and monitoring are particularly......% non-carbonate. We studied difference in static and dynamic behavior. Furthermore, brine saturated data were compared with CO2 injected data to reveal the effect of supercritical CO2 injection in both static and dynamic elastic properties. We used strain gauges and LVDTs to measure static deformation....... We observed lower dynamic elastic modulus for chalk with higher non-carbonate content at porosities lower than 30%. In 30% porosity chalk, dynamic compressional and bulk modulus were found significantly higher than the static modulus. Static measurements with LVDT were found lowest. The effect of CO2...

  17. Strength properties of the jointed rock mass medium under dynamic cyclic loading *

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The dynamic strength properties of the intermittently jointed mediums are studied using model test to investigate the jointed rock mass behavior under dynamic cyclic load. The model test results demonstrate that (i) the dynamic strength of the jointed samples increases with the loading frequency and decreases with the loading loops; (ii) the dynamic residual strength will not be zero like the static residual strength under one-axle loading condition; (iii) the dynamic strength changes greatly with the joint density and joint angle, and it differs from that of the static strength which reaches the lowest at an angle of 45° + ψ/2, while in the dynamic case, the lowest strength is at the angle of 45°.

  18. Droplets in Microchannels: Dynamical Properties of the Lubrication Film.

    Science.gov (United States)

    Huerre, Axel; Theodoly, Olivier; Leshansky, Alexander M; Valignat, Marie-Pierre; Cantat, Isabelle; Jullien, Marie-Caroline

    2015-08-07

    We study the motion of droplets in a confined, micrometric geometry, by focusing on the lubrication film between a droplet and a wall. When capillary forces dominate, the lubrication film thickness evolves nonlinearly with the capillary number due to the viscous dissipation between the meniscus and the wall. However, this film may become thin enough (tens of nanometers) that intermolecular forces come into play and affect classical scalings. Our experiments yield highly resolved topographies of the shape of the interface and allow us to bring new insights into droplet dynamics in microfluidics. We report the novel characterization of two dynamical regimes as the capillary number increases: (i) at low capillary numbers, the film thickness is constant and set by the disjoining pressure, while (ii) above a critical capillary number, the interface behavior is well described by a viscous scenario. At a high surfactant concentration, structural effects lead to the formation of patterns on the interface, which can be used to trace the interface velocity, that yield direct confirmation of the boundary condition in the viscous regime.

  19. General Critical Properties of the Dynamics of Scientific Discovery

    Energy Technology Data Exchange (ETDEWEB)

    Bettencourt, L. M. A. (LANL); Kaiser, D. I. (MIT)

    2011-05-31

    Scientific fields are difficult to define and compare, yet there is a general sense that they undergo similar stages of development. From this point of view it becomes important to determine if these superficial similarities can be translated into a general framework that would quantify the general advent and subsequent dynamics of scientific ideas. Such a framework would have important practical applications of allowing us to compare fields that superficially may appear different, in terms of their subject matter, research techniques, typical collaboration size, etc. Particularh' important in a field's history is the moment at which conceptual and technical unification allows widespread exchange of ideas and collaboration, at which point networks of collaboration show the analog of a percolation phenomenon, developing a giant connected component containing most authors. Here we investigate the generality of this topological transition in the collaboration structure of scientific fields as they grow and become denser. We develop a general theoretical framework in which each scientific field is an instantiation of the same large-scale topological critical phenomenon. We consider whether the evidence from a variety of specific fields is consistent with this picture, and estimate critical exponents associated with the transition. We then discuss the generality of the phenomenon and to what extent we may expect other scientific fields — including very large ones — to follow the same dynamics.

  20. Dynamical properties of confined supercooled water: an NMR study

    Science.gov (United States)

    Mallamace, Francesco; Broccio, Matteo; Corsaro, Carmelo; Faraone, Antonio; Liu, Li; Mou, Chung-Yuan; Chen, Sow-Hsin

    2006-09-01

    We report a set of dynamical data of confined water measured in a very deeply supercooled regime (290-190 K). Water is contained in silica matrices (MCM-41-S) which consist of 1D cylindrical pores with diameters d = 14,18 and 24 Å. When confined in these tubular pores, water does not crystallize, and can be supercooled well below 200 K. We use the NMR technique to obtain the characteristic proton relaxation time-constants (the spin-lattice relaxation time-constant T1 and the spin-spin relaxation time-constant T2) and a direct measurement of the self-diffusion coefficient in the whole temperature range. We give evidence of the existence of a fragile-to-strong dynamic crossover (FSC) at TL = 225 K from the temperature dependence of the self-diffusion coefficient. A combination of the NMR self-diffusion coefficient with the average translational relaxation time, as measured by quasi-elastic neutron scattering, shows a well defined decoupling of transport coefficients, i.e. the breakdown of the Stokes-Einstein relation, on approaching the crossover temperature TL.

  1. Dynamical properties of confined supercooled water: an NMR study

    Energy Technology Data Exchange (ETDEWEB)

    Mallamace, Francesco [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Broccio, Matteo [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Corsaro, Carmelo [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Faraone, Antonio [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Liu Li [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Mou, C-Y [Department of Chemistry, National Taiwan University, Taipei, Taiwan (China); Chen, S-H [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2006-09-13

    We report a set of dynamical data of confined water measured in a very deeply supercooled regime (290-190 K). Water is contained in silica matrices (MCM-41-S) which consist of 1D cylindrical pores with diameters d = 14,18 and 24 A. When confined in these tubular pores, water does not crystallize, and can be supercooled well below 200 K. We use the NMR technique to obtain the characteristic proton relaxation time-constants (the spin-lattice relaxation time-constant T1 and the spin-spin relaxation time-constant T2) and a direct measurement of the self-diffusion coefficient in the whole temperature range. We give evidence of the existence of a fragile-to-strong dynamic crossover (FSC) at T{sub L} = 225 K from the temperature dependence of the self-diffusion coefficient. A combination of the NMR self-diffusion coefficient with the average translational relaxation time, as measured by quasi-elastic neutron scattering, shows a well defined decoupling of transport coefficients, i.e. the breakdown of the Stokes-Einstein relation, on approaching the crossover temperature T{sub L}.

  2. Dynamic and static properties of the invaded cluster algorithm

    Science.gov (United States)

    Moriarty, K.; Machta, J.; Chayes, L. Y.

    1999-02-01

    Simulations of the two-dimensional Ising and three-state Potts models at their critical points are performed using the invaded cluster (IC) algorithm. It is argued that observables measured on a sublattice of size l should exhibit a crossover to Swendsen-Wang (SW) behavior for l sufficiently less than the lattice size L, and a scaling form is proposed to describe the crossover phenomenon. It is found that the energy autocorrelation time τɛ(l,L) for an l×l sublattice attains a maximum in the crossover region, and a dynamic exponent zIC for the IC algorithm is defined according to τɛ,max~LzIC. Simulation results for the three-state model yield zIC=0.346+/-0.002, which is smaller than values of the dynamic exponent found for the SW and Wolff algorithms and also less than the Li-Sokal bound. The results are less conclusive for the Ising model, but it appears that zICWolff algorithms.

  3. Computer simulation of some dynamical properties of the Lorentz gas

    Science.gov (United States)

    Joslin, C. G.; Egelstaff, P. A.

    1989-07-01

    We carried out molecular dynamics simulations of a Lorentz gas, consisting of a lone hydrogen molecule moving in a sea of stationary argon atoms. A Lennard-Jones form was assumed for the H2-Ar potential. The calculations were performed at a reduced temperature K * = kT/ɛH 2-Ar = 4.64 and at reduced densities ρ *= ρ Arσ{Ar/3} in the range 0.074-0.414. The placement of Ar atoms was assumed to be random rather than dictated by equilibrium considerations. We followed the trajectories of many H2 molecules, each of which is assigned in turn a velocity given by the Maxwell-Boltzmann distribution at the temperature of the simulation. Solving the equations of motion classically, we obtained the translational part of the incoherent dynamic structure factor for the H2 molecule, S tr( q, ω). This was convoluted with the rotational structure factor S rot( q, ω) calculated assuming unhindered rotation to obtain the total structure factor S( q, ω). Our results agree well with experimental data on this function obtained by Egelstaff et al. At the highest density ( ρ *=0.414) we studied the dependence of S( q, ω) on system size (number of Ar atoms), number of H2 molecules for which trajectories are generated, and the length of time over which these trajectories are followed.

  4. Validation of a laboratory method for evaluating dynamic properties of reconstructed equine racetrack surfaces.

    Directory of Open Access Journals (Sweden)

    Jacob J Setterbo

    Full Text Available BACKGROUND: Racetrack surface is a risk factor for racehorse injuries and fatalities. Current research indicates that race surface mechanical properties may be influenced by material composition, moisture content, temperature, and maintenance. Race surface mechanical testing in a controlled laboratory setting would allow for objective evaluation of dynamic properties of surface and factors that affect surface behavior. OBJECTIVE: To develop a method for reconstruction of race surfaces in the laboratory and validate the method by comparison with racetrack measurements of dynamic surface properties. METHODS: Track-testing device (TTD impact tests were conducted to simulate equine hoof impact on dirt and synthetic race surfaces; tests were performed both in situ (racetrack and using laboratory reconstructions of harvested surface materials. Clegg Hammer in situ measurements were used to guide surface reconstruction in the laboratory. Dynamic surface properties were compared between in situ and laboratory settings. Relationships between racetrack TTD and Clegg Hammer measurements were analyzed using stepwise multiple linear regression. RESULTS: Most dynamic surface property setting differences (racetrack-laboratory were small relative to surface material type differences (dirt-synthetic. Clegg Hammer measurements were more strongly correlated with TTD measurements on the synthetic surface than the dirt surface. On the dirt surface, Clegg Hammer decelerations were negatively correlated with TTD forces. CONCLUSIONS: Laboratory reconstruction of racetrack surfaces guided by Clegg Hammer measurements yielded TTD impact measurements similar to in situ values. The negative correlation between TTD and Clegg Hammer measurements confirms the importance of instrument mass when drawing conclusions from testing results. Lighter impact devices may be less appropriate for assessing dynamic surface properties compared to testing equipment designed to simulate hoof

  5. Stability properties of nonlinear dynamical systems and evolutionary stable states

    Energy Technology Data Exchange (ETDEWEB)

    Gleria, Iram, E-mail: iram@fis.ufal.br [Instituto de Física, Universidade Federal de Alagoas, 57072-970 Maceió-AL (Brazil); Brenig, Leon [Faculté des Sciences, Université Libre de Bruxelles, 1050 Brussels (Belgium); Rocha Filho, Tarcísio M.; Figueiredo, Annibal [Instituto de Física and International Center for Condensed Matter Physics, Universidade de Brasília, 70919-970 Brasília-DF (Brazil)

    2017-03-18

    Highlights: • We address the problem of equilibrium stability in a general class of non-linear systems. • We link Evolutionary Stable States (ESS) to stable fixed points of square quasi-polynomial (QP) systems. • We show that an interior ES point may be related to stable interior fixed points of QP systems. - Abstract: In this paper we address the problem of stability in a general class of non-linear systems. We establish a link between the concepts of asymptotic stable interior fixed points of square Quasi-Polynomial systems and evolutionary stable states, a property of some payoff matrices arising from evolutionary games.

  6. Properties of hot liquid cerium by LDA + U molecular dynamics.

    Science.gov (United States)

    Siberchicot, Bruno; Clérouin, Jean

    2012-11-14

    We present ab initio simulations of liquid cerium in the framework of the LDA + U formulation. The liquid density has been determined self-consistently by searching for the zero pressure equilibrium state at 1320 K with the same set of parameters (U and J) and occupation matrices as those optimized for the γ phase. We have computed static and transport properties. The liquid produced by the simulations appears more structured than the available measurements. This raises questions regarding the ability of the theory to describe such a complex liquid. Conductivity calculations and temperature dependences are nevertheless in reasonable agreement with data.

  7. Compliant Foil Journal Bearings - Investigation of Dynamic Properties

    DEFF Research Database (Denmark)

    Larsen, Jon Steffen; Santos, Ilmar

    a Bubnow-Galerkin approach. This constitutes the main original contribution of this work, considering the fact that the finite difference method is commonly used and thouroughly investigated in the literature. The finite element method leads to a set of non-linear equations for the static fluid film....../compliance of the foil structure is presented. The compliance of the foil structure is incorporated implicitly in the Reynolds equation which is accomplished through a modification of the film gap function [8]. The resulting non-linear equation is perturbed and solved by use of the finite element method following...... and dynamic coefficients, of the compliant foil bearing together with an efficient solution method, which can be easily adopted and implemented by mechanical engineers. A theoretical model of a radial compliant foil bearing that incorporates compressibility of the lubricating gas and flexibility...

  8. Dynamical properties of nimodipine molecules confined in SBA-15 matrix

    Science.gov (United States)

    Kiwilsza, A.; Pajzderska, A.; Mielcarek, J.; Jenczyk, J.; Wąsicki, J.

    2016-08-01

    The paper reports results of 13C and 1H ssNMR for nimodipine confined in mesopores of SBA-15 for the samples (i) containing nimodipine molecules inside and on the external surface of silica, (ii) containing nimodipine only inside pores forming an incomplete monolayer on the surface (iii) for bulk nimodipine. The measurements permitted comparison of the dynamics of nimodipine bulk and confined in pores. The confined nimodipine is in an amorphous state and has additional degrees of rotational freedom with respect to the bulk one. The height of the energy barrier related to the rotation of methyl groups in confined nimodipine is lower than in bulk nimodipine. The higher mobility of nimodipine molecules confined in silica pores can explain the higher release rate of nimodipine from silica matrix than dissolution rate of bulk drug.

  9. Recycling probability and dynamical properties of germinal center reactions

    CERN Document Server

    Meyer-Hermann, M; Or-Guil, M; Meyer-Hermann, Michael; Deutsch, Andreas; Or-Guil, Michal

    2001-01-01

    We introduce a new model for the dynamics of centroblasts and centrocytes in a germinal center. The model reduces the germinal center reaction to the elements considered as essential and embeds proliferation of centroblasts, point mutations of the corresponding antibody types represented in a shape space, differentiation to centrocytes, selection with respect to initial antigens, differentiation of positively selected centrocytes to plasma or memory cells and recycling of centrocytes to centroblasts. We use exclusively parameters with a direct biological interpretation such that, once determined by experimental data, the model gains predictive power. Based on the experiment of Han et al.(1995) we predict that a high rate of recycling of centrocytes to centroblasts is necessary for the germinal center reaction to work reliably. Furthermore, we find a delayed start of the production of plasma and memory cells with respect to the start of point mutations, which turns to be necessary for the optimization process ...

  10. Effects of Thermal Treatment on the Dynamic Mechanical Properties of Coal Measures Sandstone

    Science.gov (United States)

    Li, Ming; Mao, Xianbiao; Cao, Lili; Pu, Hai; Mao, Rongrong; Lu, Aihong

    2016-09-01

    Many projects such as the underground gasification of coal seams and coal-bed methane mining (exploitation) widely involve the dynamic problems of coal measures sandstone achieved via thermal treatment. This study examines the dynamic mechanical properties of coal measures sandstone after thermal treatment by means of an MTS653 high-temperature furnace and Split Hopkinson pressure bar test system. Experimental results indicate that 500 °C is a transition point for the dynamic mechanical parameters of coal measures sandstone. The dynamic elastic modulus and peak strength increase linearly from 25 to 500 °C while the dynamic peak strain decreases linearly over the same temperature range. The dynamic elastic modulus and peak strength drop quickly from 500 to 800 °C, with a significant increase in the dynamic peak strain over the same temperature range. The rock mechanics are closely linked to material composition and mesoscopic structure. Analysis by X-ray diffraction and scanning electron microscopy indicate that the molecules inside the sandstone increase in density due to the thermal expansion of the material particles, which effectively improves the deformation resistance and carrying capacity of the sandstone and reduces the likelihood of axial deformation. With heat treatment that exceeds 500 °C, the dynamic mechanical properties rapidly weaken due to the decomposition of kaolinite; additionally, hot cracking of the mineral particles within the materials arises from coal sandstone internal porosity, and other defects gradually appear.

  11. Structural, Dynamic, and Vibrational Properties during Heat Transfer in Si/Ge Superlattices: A Car-Parrinello Molecular Dynamics Study

    CERN Document Server

    Ji, Pengfei; Yang, Mo

    2016-01-01

    The structural, dynamic, and vibrational properties during the heat transfer process in Si/Ge superlattices, are studied by analyzing the trajectories generated by the ab initio Car-Parrinello molecular dynamics simulation. The radial distribution functions and mean square displacements are calculated and further discussions are made to explain and probe the structural changes relating to the heat transfer phenomenon. Furthermore, the vibrational density of states of the two layers (Si/Ge) are computed and plotted to analyze the contributions of phonons with different frequencies to the heat conduction. Coherent heat conduction of the low frequency phonons is found and their contributions to facilitate heat transfer are confirmed. The Car-Parrinello molecular dynamics simulation outputs in the work show reasonable thermophysical results of the thermal energy transport process and shed light on the potential applications of treating the heat transfer in the superlattices of semiconductor materials from a quant...

  12. Dynamical properties of a dissipative discontinuous map: A scaling investigation

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar-Sánchez, R. [Facultad de Ciencias Químicas, Benemérita Universidad Autónoma de Puebla, Puebla 72570 (Mexico); Leonel, Edson D. [Departamento de Física, UNESP – Univ. Estadual Paulista, Av. 24A, 1515, Bela Vista, 13506-900 Rio Claro, SP (Brazil); Méndez-Bermúdez, J.A. [Instituto de Física, Benemérita Universidad Autónoma de Puebla, Apartado Postal J-48, Puebla 72570 (Mexico)

    2013-12-13

    The effects of dissipation on the scaling properties of nonlinear discontinuous maps are investigated by analyzing the behavior of the average squared action 〈I{sup 2}〉 as a function of the n-th iteration of the map as well as the parameters K and γ, controlling nonlinearity and dissipation, respectively. We concentrate our efforts to study the case where the nonlinearity is large; i.e., K≫1. In this regime and for large initial action I{sub 0}≫K, we prove that dissipation produces an exponential decay for the average action 〈I〉. Also, for I{sub 0}≅0, we describe the behavior of 〈I{sup 2}〉 using a scaling function and analytically obtain critical exponents which are used to overlap different curves of 〈I{sup 2}〉 onto a universal plot. We complete our study with the analysis of the scaling properties of the deviation around the average action ω.

  13. Dynamic regulation of hepatic lipid droplet properties by diet.

    Directory of Open Access Journals (Sweden)

    Amanda E Crunk

    Full Text Available Cytoplasmic lipid droplets (CLD are organelle-like structures that function in neutral lipid storage, transport and metabolism through the actions of specific surface-associated proteins. Although diet and metabolism influence hepatic CLD levels, how they affect CLD protein composition is largely unknown. We used non-biased, shotgun, proteomics in combination with metabolic analysis, quantitative immunoblotting, electron microscopy and confocal imaging to define the effects of low- and high-fat diets on CLD properties in fasted-refed mice. We found that the hepatic CLD proteome is distinct from that of CLD from other mammalian tissues, containing enzymes from multiple metabolic pathways. The hepatic CLD proteome is also differentially affected by dietary fat content and hepatic metabolic status. High fat feeding markedly increased the CLD surface density of perilipin-2, a critical regulator of hepatic neutral lipid storage, whereas it reduced CLD levels of betaine-homocysteine S-methyltransferase, an enzyme regulator of homocysteine levels linked to fatty liver disease and hepatocellular carcinoma. Collectively our data demonstrate that the hepatic CLD proteome is enriched in metabolic enzymes, and that it is qualitatively and quantitatively regulated by diet and metabolism. These findings implicate CLD in the regulation of hepatic metabolic processes, and suggest that their properties undergo reorganization in response to hepatic metabolic demands.

  14. Dynamic viscoelastic properties of collagen gels with high mechanical strength.

    Science.gov (United States)

    Mori, Hideki; Shimizu, Kousuke; Hara, Masayuki

    2013-08-01

    We developed a new method for the preparation of mechanically strong collagen gels by combining successively basic gel formation, followed by 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC) cross-linking and lyophilization. Gels cross-linked three times with this method showed stronger mechanical properties (G': 3730±2060 Pa, G″: 288±35 Pa) than a conventional gel that was sequentially cross-linked with EDC once (G': 226±70 Pa, G″: 21±4.4 Pa), but not as strong as the same gel with heating for 30 min at 80°C (G': 7010±830 Pa, G″: 288±35 Pa) reported in our previous paper. The conventional collagen gel was cross-linked with EDC once, heated once, and then subjected twice to a lyophilization-gel formation-cross-linking cycle to give three-cycled gel 2. This gel had the strongest mechanical properties (G': 40,200±18,000 Pa, G″: 3090±1400 Pa, Young's modulus: 0.197±0.069 MPa) of the gels tested. These promising results suggest possible applications of the gels as scaffolds in tissue engineering research.

  15. Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.

    Science.gov (United States)

    Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius

    2015-10-14

    Three families of heterotrimetallic chains (type 1-type 3), with different topologies, have been obtained by reacting the 3d-4f complexes, [{Cu(L(1))}xLn(NO3)3] with x = 1 or 2, formed in situ by the reaction of Schiff-base bi-compartmental [Cu(II)(L(1))] complexes and lanthanide(iii) salts, with (NHBu3)3[M(CN)8] (M = Mo(V), W(V)). For type 1 series of compounds, 1-D coordination polymers, with the general formula [{Cu2(valpn)2Ln}{M(CN)8}]·nH2O·mCH3CN (where H2valpn = 1,3-propanediylbis(2-iminomethylene-6-methoxy-phenol), result from the association of trinuclear {CuLn(III)} moieties and [M(V)(CN)8](3-) anions acting as tri-connecting spacers [Ln = La (1), Ce (2), Eu (3), Tb (4), Ho (5), M = Mo; Ln = Tb (6), Ho (7), M = W; m = 0, n = 1.5 (7) and 2 (1-4, 6); n = 1, m = 1 (5)]. The type 2 family has the general formula [{Cu(valdp)Ln(H2O)4}{M(CN)8}]·2H2O·CH3CN (where H2valdp = 1,2-propanediylbis(2-iminomethylene-6-methoxy-phenol)) and also consists of heterotrimetallic chains involving binuclear {Cu(II)Ln(III)} units linked to [M(CN)8](3-) anions coordinating through two cyano groups [Ln = Gd (8), Tb (9), Dy (10); M = Mo; Ln = La (11), Gd (12), Tb (13), Dy (14); M = W]. With large Ln(III) ions (La(III) and Pr(III)), the type 3 family of heterotrimetallic compounds are assembled: [{Cu2(valdp)2Ln(H2O)4}{Mo(CN)8}]·nCH3OH·mCH3CN, n, m = 0, Ln = La (15); n = m = 1, Pr (16), in which the trinuclear {CuLn(III)} nodes are connected to [Mo(V)(CN)8](3-) anions that act as tetra-connecting spacers. For Tb(III) derivatives of the type 1 (compounds 4 and 6), the DC magnetic properties indicate a predominant ferromagnetic Cu(II)-Tb(III) interaction, while the AC magnetic susceptibility (in the presence of a static magnetic field, HDC = 3000 Oe) emphasize the slow relaxation of the magnetization (Ueff/kB = 20.55 K and τ0 = 5.5 × 10(-7) s for compound 4, Ueff/kBT = 15.1 K and τ0 = 1.5 × 10(-7) s for compound 6). A predominant ferromagnetic Cu(II)-Ln(III) interaction was

  16. Predictive Modeling of Mechanical Properties of Welded Joints Based on Dynamic Fuzzy RBF Neural Network

    Directory of Open Access Journals (Sweden)

    ZHANG Yongzhi

    2016-10-01

    Full Text Available A dynamic fuzzy RBF neural network model was built to predict the mechanical properties of welded joints, and the purpose of the model was to overcome the shortcomings of static neural networks including structural identification, dynamic sample training and learning algorithm. The structure and parameters of the model are no longer head of default, dynamic adaptive adjustment in the training, suitable for dynamic sample data for learning, learning algorithm introduces hierarchical learning and fuzzy rule pruning strategy, to accelerate the training speed of model and make the model more compact. Simulation of the model was carried out by using three kinds of thickness and different process TC4 titanium alloy TIG welding test data. The results show that the model has higher prediction accuracy, which is suitable for predicting the mechanical properties of welded joints, and has opened up a new way for the on-line control of the welding process.

  17. Experimental investigation on the dynamic mechanical properties of soft magnetic entangled metallic wire material

    Science.gov (United States)

    Ma, Yanhong; Zhang, Qicheng; Zhang, Dayi; Hu, Wenzhong; Hong, Jie

    2017-05-01

    This work describes the dynamic characteristics of a novel soft magnetic entangled metallic wire material(SM-EMWM) by the dynamic tests for the first time. The mechanical properties of three batches of SM-EMWMs with different porosities have been investigated under different dynamic loads in different magnetic field intensities. The result shows that its properties (storage modulus and loss factor) have commendably controllable magnetic responses in the magnetic field. In particular, the dynamic damping is more remarkable than its quasi-static performance, and the loss factor can be improved above 50% in the magnetic field of 500 mT. The results indicate that SM-EMWM as a magneto-sensitive smart material possesses a considerable application prospect for the active vibration control with variable stiffness and damping.

  18. Effects of Temperature and Strain Rate on Dynamic Properties of Concrete

    Institute of Scientific and Technical Information of China (English)

    JIA Bin; TAO Junlin; LI Zhengliang; WANG Ruheng; ZHANG Yu

    2008-01-01

    To study the dynamic properties of the concrete subjected to impulsive loading,stress-time curves of concrete in different velocities were measured using split Hopkinson pressure bar (SHPB).Effects of temperature and strain rate on the dynamic yield strength and constitutive relation of the concrete were analyzed.The dynamic mechanical properties of the reinforced concrete are subjected to high strain rates when it is at a relatively low temperature.But with temperature increasing,the temperature softening effect makes the strength of the concrete weaken and the impact toughness of the concrete is saliently relative to strain rate effect.So,strain rate effect,strain hardening and temperature softening work together on the dynamic mechanical capability of concrete and the relation between them is relatively corn plex.

  19. Dynamic properties of the cubic nonlinear Schr(o)dinger equation by symplectic method

    Institute of Scientific and Technical Information of China (English)

    Liu Xue-Shen; Wei Jia-Yu; Ding Pei-Zhu

    2005-01-01

    The dynamic properties of a cubic nonlinear Schrodinger equation are investigated numerically by using the symplectic method with different space approximations. The behaviours of the cubic nonlinear Schrodinger equation are discussed with different cubic nonlinear parameters in the harmonically modulated initial condition. We show that the conserved quantities will be preserved for long-time computation but the system will exhibit different dynamic behaviours in space difference approximation for the strong cubic nonlinearity.

  20. STUDY OF DYNAMIC MECHANICAL PROPERTIES OF FUSED DEPOSITION MODELLING PROCESSED ULTEM MATERIAL

    OpenAIRE

    Adhiyamaan Arivazhagan; Ammar Saleem; S. H. Masood; Mostafa Nikzad; K. A. JAGADEESH

    2014-01-01

    Fused Deposition Modelling (FDM), a renowned Rapid Prototyping (RP) process, has been successfully implemented in several industries to fabricate concept models and prototypes for rapid manufacturing. This study furnishes terse notes about the material damping properties of FDM made ULTEM samples considering the effect of FDM process parameters. Dynamic Mechanical Analysis (DMA) is carried out using DMA 2980 equipment to study the dynamic response of the FDM material subjected to single canti...

  1. Transformation properties and third-order aberrations of thin dynamic χ(2) holograms

    Science.gov (United States)

    Miloglyadov, E. V.; Stasel'ko, D. I.

    2016-07-01

    The results of a theoretical study of the transformation properties of thin dynamic χ(2) holograms for all frequency mixing versions are generalized, and a general pattern of transformations of reconstructed images (recorded and read at different frequencies) is developed. The principles of ray geometric construction of reconstructed images are determined. The theory of thin dynamic χ(2) holograms is extended to the range of third-order aberrations.

  2. Topology of Branched Polymers: Effect on Structure and Dynamic Properties

    Science.gov (United States)

    Ramachandran, Ramnath; Beaucage, Gregory; Kulkarni, Amit S.; Galiatsatos, Vassilios; McFaddin, Douglas C.

    2008-03-01

    We investigated linear and branched polyethylene (PE) using small-angle neutron scattering (SANS). The experiments were conducted on dilute solutions of PE in deuterated p-xylene. A variety of structural information^ such as fractal dimension (df), connectivity dimension (c), minimum path dimension (dmin), long chain branch fraction (φbr), radius of gyration (Rg) and persistence length (lp) were obtained. Such information presents a qualitative and quantitative assessment of branching in polymers. Theoretical models such as `binary contacts per pervaded volume' model^* were employed to correlate the structural information of the polymer to its entanglement molecular weight (Me). Me was used to predict physical properties of the polymer such as plateau modulus (GN^0 ) and zero-shear viscosity (η0). ^Beaucage G. Physical Review E 70,031401 (2004) ^*Colby et al. Macromolecules 25, p.996 (1992)

  3. Molecular dynamics simulations on surface properties of silicon dioxide melts

    CERN Document Server

    Röder, A

    2000-01-01

    In the present thesis the surface properties of a silicon dioxide melt were studied. As first systems drops (i.e. sytems without periodic boundary conditions) of N=432, 1536, as well as 4608 atoms were considered. The second analyzed geometry corresponds to that of a thin film, i. e. periodic boundary conditions in x- and y-direction were present, while in z-direction one had a free surface. In this case a system of N=1152 atoms was considered. As model potential the two-body potential proposed by Beest, Kramer, and van Santen was applied. For both geometries five temperatures were considered, which lied in the range of 3000 K

  4. Dynamic Modeling Accuracy Dependence on Errors in Sensor Measurements, Mass Properties, and Aircraft Geometry

    Science.gov (United States)

    Grauer, Jared A.; Morelli, Eugene A.

    2013-01-01

    A nonlinear simulation of the NASA Generic Transport Model was used to investigate the effects of errors in sensor measurements, mass properties, and aircraft geometry on the accuracy of dynamic models identified from flight data. Measurements from a typical system identification maneuver were systematically and progressively deteriorated and then used to estimate stability and control derivatives within a Monte Carlo analysis. Based on the results, recommendations were provided for maximum allowable errors in sensor measurements, mass properties, and aircraft geometry to achieve desired levels of dynamic modeling accuracy. Results using other flight conditions, parameter estimation methods, and a full-scale F-16 nonlinear aircraft simulation were compared with these recommendations.

  5. Investigation of dynamic properties of erbium fiber laser for ultrasonic sensing.

    Science.gov (United States)

    Wu, Qi; Okabe, Yoji; Sun, Junqiang

    2014-04-07

    Dynamic properties of an erbium fiber laser (EFL) is researched and demonstrated for ultrasonic sensing in this research. The EFL has ring cavity incorporated with a phase-shifted fiber Bragg grating. A numerical model is used to analyze its dynamic responses to quasi-static change, continuous wave and burst wave. The ultrasonic behavior of the EFL resembles the forced single degree of freedom vibration with damping. Corresponding experimental results fit the simulation results well, showing some interesting ultrasonic properties of this EFL. After certain data process method, this EFL can be used in practical ultrasonic nondestructive testing.

  6. Impact and dynamic mechanical thermal properties of textile silk reinforced epoxy resin composites

    Science.gov (United States)

    Yang, K.; Guan, J.

    2016-07-01

    Silk fabric reinforced epoxy resin composites (SFRPs) were prepared using simple techniques of hand lay-up, hot-press and vacuum treatment, and a series of volume fractions of silk reinforcements were achieved. The impact properties and dynamic mechanical properties of SFRPs were investigated using a pendulum impact testing method and dynamic mechanical thermal analysis (DMTA). The results suggest that silk reinforcement could greatly enhance the mechanical performances of SFRPs. The impact strength reached a maximum of 71 kJ/m2 for 60%-silk SFRP, which demonstrated a potential of silk composites for defence and impact- resistant materials.

  7. Mechanical, Thermal and Dynamic Mechanical Properties of PP/GF/xGnP Nanocomposites

    Science.gov (United States)

    Ashenai Ghasemi, F.; Ghorbani, A.; Ghasemi, I.

    2017-03-01

    The mechanical, thermal, and dynamic mechanical properties of ternary nanocomposites based on polypropylene, short glass fibers, and exfoliated graphene nanoplatelets were studied. To investigate the mechanical properties, uniaxial tensile and Charpy impact tests were carried out. To study the crystallinity of the compositions, a DSC test was performed. A dynamic mechanical analysis was used to characterize the storage modulus and loss factor (tan δ). The morphology of the composites was studied by a scanning electron microscope (SEM). The results obtained are presented in tables and graphics.

  8. Static and dynamic properties of curved vapour-liquid interfaces by massively parallel molecular dynamics simulation

    CERN Document Server

    Horsch, Martin T; Vrabec, Jadran; Glass, Colin W; Niethammer, Christoph; Bernreuther, Martin F; Müller, Erich A; Jackson, George

    2011-01-01

    Curved fluid interfaces are investigated on the nanometre length scale by molecular dynamics simulation. Thereby, droplets surrounded by a metastable vapour phase are stabilized in the canonical ensemble. Analogous simulations are conducted for cylindrical menisci separating vapour and liquid phases under confinement in planar nanopores. Regarding the emergence of nanodroplets during nucleation, a non-equilibrium phenomenon, both the non-steady dynamics of condensation processes and stationary quantities related to supersaturated vapours are considered. Results for the truncated and shifted Lennard-Jones fluid and for mixtures of quadrupolar fluids confirm the applicability of the capillarity approximation and the classical nucleation theory.

  9. Nano-Wilhelmy investigation of dynamic wetting properties of AFM tips through tip-nanobubble interaction.

    Science.gov (United States)

    Wang, Yuliang; Wang, Huimin; Bi, Shusheng; Guo, Bin

    2016-07-25

    The dynamic wetting properties of atomic force microscopy (AFM) tips are of much concern in many AFM-related measurement, fabrication, and manipulation applications. In this study, the wetting properties of silicon and silicon nitride AFM tips are investigated through dynamic contact angle measurement using a nano-Wilhelmy balance based method. This is done by capillary force measurement during extension and retraction motion of AFM tips relative to interfacial nanobubbles. The working principle of the proposed method and mathematic models for dynamic contact angle measurement are presented. Geometric models of AFM tips were constructed using scanning electronic microscopy (SEM) images taken from different view directions. The detailed process of tip-nanobubble interaction was investigated using force-distance curves of AFM on nanobubbles. Several parameters including nanobubble height, adhesion and capillary force between tip and nanobubbles are extracted. The variation of these parameters was studied over nanobubble surfaces. The dynamic contact angles of the AFM tips were calculated from the capillary force measurements. The proposed method provides direct measurement of dynamic contact angles for AFM tips and can also be taken as a general approach for nanoscale dynamic wetting property investigation.

  10. Nanocrystalline silicon: lattice dynamics and enhanced thermoelectric properties.

    Science.gov (United States)

    Claudio, Tania; Stein, Niklas; Stroppa, Daniel G; Klobes, Benedikt; Koza, Michael Marek; Kudejova, Petra; Petermann, Nils; Wiggers, Hartmut; Schierning, Gabi; Hermann, Raphaël P

    2014-12-21

    Silicon has several advantages when compared to other thermoelectric materials, but until recently it was not used for thermoelectric applications due to its high thermal conductivity, 156 W K(-1) m(-1) at room temperature. Nanostructuration as means to decrease thermal transport through enhanced phonon scattering has been a subject of many studies. In this work we have evaluated the effects of nanostructuration on the lattice dynamics of bulk nanocrystalline doped silicon. The samples were prepared by gas phase synthesis, followed by current and pressure assisted sintering. The heat capacity, density of phonons states, and elastic constants were measured, which all reveal a significant, ≈25%, reduction in the speed of sound. The samples present a significantly decreased lattice thermal conductivity, ≈25 W K(-1) m(-1), which, combined with a very high carrier mobility, results in a dimensionless figure of merit with a competitive value that peaks at ZT≈ 0.57 at 973 °C. Due to its easily scalable and extremely low-cost production process, nanocrystalline Si prepared by gas phase synthesis followed by sintering could become the material of choice for high temperature thermoelectric generators.

  11. Dynamical properties and search of variable stars: NGC 1960

    CERN Document Server

    Joshi, Gireesh C

    2015-01-01

    The total-to-selective extinction RV in the direction of a cluster is found to be 3.12 +/- 0.2 (close to its normal value). We derive the luminosity and mass functions for the cluster main sequence stars. The mass function slope is found to be -2.29 +/- 0.20 which is close to Salpeter value. We find evidence of mass segregation process in the cluster which is not yet dynamically relaxed. We have performed time series photometric observations to detect variable stars within star cluster NGC 1960. The DAOPHOT-II package is utilized to estimate the apparent stellar magnitudes of stars. The secondary standardization method is applied to the transformation of these apparent magnitudes into standard values. The magnitude-time diagrams (light curves) of stars are constructed to identify possible variability nature within them. The stars, having sufficient magnitude variation with time, are considered to be variable stars and their period values have computed through PERIOD04 package. These periodic values of variabl...

  12. Effects of dynamic changes of tissue properties during laser-induced interstitial thermotherapy (LITT).

    Science.gov (United States)

    Jiang, S C; Zhang, X X

    2005-01-01

    A two-dimensional model including the effects of dynamic changes in the physical properties on tissue temperature and damage was developed to describe laser energy transport, heat transfer, and damage accumulation during laser-induced interstitial thermotherapy (LITT). The Monte Carlo method was used to simulate photon transport in a tissue in the nonuniform optical property field, with the finite difference method used to solve the Pennes bioheat equation to calculate the temperature distribution and the Arrhenius equation used to predict the extent of thermal damage. The numerical results showed that the dynamic changes in the optical properties, thermal properties, and blood perfusion rate significantly affected damage volume accumulation and temperature history and should be included in numerical simulations of the LITT treatment.

  13. Effect of Porosity and Cell Size on the Dynamic Compressive Properties of Aluminum Alloy Foams

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The dynamic mechanical properties of open-cell aluminum alloy foams with different relative densities and cell sizeshave been investigated by compressive tests. The strain rates varied from 700 s-1 to 2600 s-1. The experimentalresults showed that the dynamic compressive stress-strain curves exhibited a typical three-stage behavior: elastic,plateau and densification. The dynamic compressive strength of foams is affected not only by the relative densitybut also by the strain rate and cell size. Aluminum alloy foams with higher relative density or smaller cell size aremore sensitive to the strain rate than foams with lower relative density or larger cell size.

  14. Relationships between coastal processes and properties of the nearshore sea bed dynamic layer:

    Directory of Open Access Journals (Sweden)

    Rafał Ostrowski

    2011-09-01

    Full Text Available The paper discusses the notion of a layer of sandy sediments overlying a substratum of cohesive deposits in the coastal zone. This layer of sand is generally more mobile and is therefore conventionally referred to as the dynamic layer. Its parameters are important to coastal lithodynamic and morphodynamic processes caused by waves and currents. On the other hand, the dynamic layer is formed by nearshore hydrodynamic impact. The variability of the features of the dynamic layer on the southern Baltic dune and cliff shores in Poland is analysed on the basis of selected geological data supported by local seismo-acoustic field investigations. It appears that the conventional notion of the dynamic layer makes sense only in specific geomorphologic conditions. In such cases, mostly related to cliff shores, theoretical modelling of sediment transport should take the properties of the dynamic layer into account.

  15. Study of physical properties of the dynamic filter; Estudo das propriedades fisicas do filtro dinamico

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Roberto Salomon

    2004-02-15

    This paper presents a characterization of the physical properties of the dynamic filter of Clinac 2300 CD linear accelerator of Varian Medical Systems, installed at the Cancer National Institute (INCA), Rio de Janeiro. The 'dynamic filter factors' were measured for the 6 and 15 MV photons, in squared and rectangular fields, and compared with factors furnished at the accelerator manual and used by the planning system, IN and OUT positions, at the maximum dose depths, 5 cm, 10 cm and 29 cm, for the 6 and 15 MV photons energies. The results demonstrated that the 'dynamic filter factors' does not changes with depth and the PDP for the opened field are the same for the fields with dynamic filters. Last but not least the dynamic filters were measured and compared with the nominal angles of the accelerator and the planning system, where some discrepancies were reported.

  16. Lattice Dynamical Properties of Ferroelectric Thin Films at the Nanoscale

    Energy Technology Data Exchange (ETDEWEB)

    Xi, Xiaoxing [Temple University

    2014-01-13

    In this project, we have successfully demonstrated atomic layer-by-layer growth by laser MBE from separate targets by depositing SrTiO3 films from SrO and TiO2 targets. The RHEED intensity oscillation was used to monitor and control the growth of each SrO and TiO2 layer. We have shown that by using separate oxide targets, laser MBE can achieve the same level of stoichiometry control as the reactive MBE. We have also studied strain relaxation in LaAlO3 films and its effect on the 2D electron gas at LaAlO3/SrTiO3 interface. We found that there are two layers of different in-plane lattice constants in the LaAlO3 films, one next to the SrTiO3 substrate nearly coherently strained, while the top part relaxed as the film thickness increases above 20 unit cells. This strain relaxation significantly affect the transport properties of the LaAlO3/SrTiO3 interface.

  17. Study of dynamical properties in β-Tcp/Ch layers

    Energy Technology Data Exchange (ETDEWEB)

    Mina, A.; Caicedo, J. C. [Universidad del Valle, Tribology, Powder Metallurgy and Processing of Solid Recycled Research Group, Cali, Valle del Cauca (Colombia); Aperador, W., E-mail: jacaicedoangulo1@gmail.com [Universidad Militar Nueva Granada, Departamento de Ingenieria, 80 Entrada A La KR11 No. 101, Bogota (Colombia)

    2015-07-01

    β-Tricalcium phosphate/Chitosan (β-Tcp/Ch) coatings were deposited on 316l stainless steel (316l Ss) substrates by a cathodic electrodeposition technique at different coating compositions. The crystal lattice arrangements were analyzed by X-ray diffraction, and the results indicated that the crystallographic structure of β-Tcp was affected by the inclusion of the chitosan content. The changes in the surface morphology as a function of increasing chitosan in the coatings via scanning electron microscopy and atomic force microscopy showed the root-mean squares hardness of the β-Tcp/Ch coatings decreased by further increasing chitosan percentage. The elastic-plastic characteristics of the coatings were determined by conducting nano indentation test, indicating that the increase if chitosan percentage is directly related to increasing the hardness and elastic modulus of the β-Tcp/Ch coatings. Tribological characterization was performed by scratch test and pin-on-disk test to analyze the changes in the surface wear the β-Tcp/Ch coatings. Finally, the results indicated an improvement in the mechanical and tribological properties of the β-Tcp/Ch coatings as a function of increasing of the chitosan percentage. (Author)

  18. Dynamic properties of small-scale solar wind plasma fluctuations.

    Science.gov (United States)

    Riazantseva, M O; Budaev, V P; Zelenyi, L M; Zastenker, G N; Pavlos, G P; Safrankova, J; Nemecek, Z; Prech, L; Nemec, F

    2015-05-13

    The paper presents the latest results of the studies of small-scale fluctuations in a turbulent flow of solar wind (SW) using measurements with extremely high temporal resolution (up to 0.03 s) of the bright monitor of SW (BMSW) plasma spectrometer operating on astrophysical SPECTR-R spacecraft at distances up to 350,000 km from the Earth. The spectra of SW ion flux fluctuations in the range of scales between 0.03 and 100 s are systematically analysed. The difference of slopes in low- and high-frequency parts of spectra and the frequency of the break point between these two characteristic slopes was analysed for different conditions in the SW. The statistical properties of the SW ion flux fluctuations were thoroughly analysed on scales less than 10 s. A high level of intermittency is demonstrated. The extended self-similarity of SW ion flux turbulent flow is constantly observed. The approximation of non-Gaussian probability distribution function of ion flux fluctuations by the Tsallis statistics shows the non-extensive character of SW fluctuations. Statistical characteristics of ion flux fluctuations are compared with the predictions of a log-Poisson model. The log-Poisson parametrization of the structure function scaling has shown that well-defined filament-like plasma structures are, as a rule, observed in the turbulent SW flows.

  19. Understanding mechanical properties of polymer nanocomposites with molecular dynamics simulations

    Science.gov (United States)

    Sen, Suchira

    Equilibrium Molecular Dynamics (MD) simulations are used extensively to study various aspects of polymer nanocomposite (PNC) behavior in the melt state---the key focus is on understanding mechanisms of mechanical reinforcement. Mechanical reinforcement of the nanocomposite is believed to be caused by the formation of a network-like structure---a result of polymer chains bridging particles to introduce network elasticity. In contrast, in traditional composites, where the particle size range is hundreds of microns and high loadings of particle are used, the dominant mechanism is the formation of a percolated filler structure. The difference in mechanism with varying particle sizes, at similar particle loading, arises from the polymer-particle interfacial area available, which increases dramatically as the particle size decreases. Our interest in this work is to find (a) the kind of polymer-particle interactions necessary to facilitate the formation of a polymer network in a nanocomposite, and (b) the reinforcing characteristics of such a polymer network. We find that very strong polymer-particle binding is necessary to create a reinforcing network. The strength of the binding has to be enough to immobilize polymer on the particle surface for timescales comparable and larger than the terminal relaxation time of the stress of the neat melt. The second finding, which is a direct outcome of very strong binding, is that the method of preparation plays a critical role in determining the reinforcement of the final product. The starting conformations of the polymer chains determine the quality of the network. The strong binding traps the polymer on the particle surface which gets rearranged to a limited extent, within stress relaxation times. Significant aging effects are seen in system relaxation; the inherent non-equilibrium consequences of such strong binding. The effect of the polymer immobilization slows down other relaxation processes. The diffusivity of all chains is

  20. Transport properties of room temperature ionic liquids from classical molecular dynamics

    CERN Document Server

    Andreussi, Oliviero

    2012-01-01

    Room Temperature Ionic Liquids (RTILs) have attracted much of the attention of the scientific community in the past decade due the their novel and highly customizable properties. Nonetheless their high viscosities pose serious limitations to the use of RTILs in practical applications. To elucidate some of the physical aspects behind transport properties of RTILs, extensive classical molecular dynamics (MD) calculations are reported. Bulk viscosities and ionic conductivities of butyl-methyl-imidazole based RTILs are presented over a wide range of temperatures. The dependence of the properties of the liquids on simulation parameters, e.g. system size effects and choice of the interaction potential, is analyzed.

  1. Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies

    Energy Technology Data Exchange (ETDEWEB)

    Salerno, K. Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Agrawal, Anupriya [Washington Univ., St. Louis, MO (United States). Dept. of Mechanical Engineering and Materials Science; Clemson Univ., SC (United States). Dept. of Chemistry; Perahia, Dvora [Clemson Univ., SC (United States). Dept. of Chemistry; Grest, Gary S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-02-05

    Coupled length and time scales determine the dynamic behavior of polymers and underlie their unique viscoelastic properties. To resolve the long-time dynamics it is imperative to determine which time and length scales must be correctly modeled. In this paper, we probe the degree of coarse graining required to simultaneously retain significant atomistic details and access large length and time scales. The degree of coarse graining in turn sets the minimum length scale instrumental in defining polymer properties and dynamics. Using linear polyethylene as a model system, we probe how the coarse-graining scale affects the measured dynamics. Iterative Boltzmann inversion is used to derive coarse-grained potentials with 2–6 methylene groups per coarse-grained bead from a fully atomistic melt simulation. We show that atomistic detail is critical to capturing large-scale dynamics. Finally, using these models we simulate polyethylene melts for times over 500 μs to study the viscoelastic properties of well-entangled polymer melts.

  2. The simplified Hubbard model in one and two dimensions. Thermodynamic and dynamic properties

    NARCIS (Netherlands)

    Vries, Pedro de; Michielsen, Kristel; Raedt, Hans De

    1993-01-01

    Thermodynamic and dynamic properties of the one and two-dimensional simplified Hubbard model are studied. At zero temperature and half filling, no metal-insulator transition occurs for nonzero coupling U and the system is an antiferromagnetic insulator. The behavior of the gap in the single-particle

  3. THE SIMPLIFIED HUBBARD-MODEL IN ONE AND 2 DIMENSIONS - THERMODYNAMIC AND DYNAMIC PROPERTIES

    NARCIS (Netherlands)

    DEVRIES, P; MICHIELSEN, K; DERAEDT, H

    1993-01-01

    Thermodynamic and dynamic properties of the one and two-dimensional simplified Hubbard model are studied. At zero temperature and half filling, no metal-insulator transition occurs for nonzero coupling U and the system is an antiferromagnetic insulator. The behavior of the gap in the single-particle

  4. Elastic properties of surfactant monolayers at liquid-liquid interfaces: A molecular dynamics study

    DEFF Research Database (Denmark)

    Laradji, Mohamed; Mouritsen, Ole G.

    2000-01-01

    Using a simple molecular model based on the Lennard-Jones potential, we systematically study the elastic properties of liquid-liquid interfaces containing surfactant molecules by means of extensive and large-scale molecular dynamics simulations. The main elastic constants of the interface, corres...

  5. Microstructure and Dynamic Failure Properties of Freeze-Cast Materials for Thermobaric Warhead Cases

    Science.gov (United States)

    2012-12-01

    LIST OF FIGURES Figure 1. Freeze cast process: slurry preparation, solidification, sublimation and sintering (From Ref 6...the process can be divided into four steps, illustrated in Figure 1. 6 Figure 1. Freeze cast process: slurry preparation, solidification...DYNAMIC FAILURE PROPERTIES OF FREEZE- CAST MATERIALS FOR THERMOBARIC WARHEAD CASES by Yi Ming Tan December 2012 Thesis Advisor: Joseph

  6. Preliminary analysis of the MER magnetic properties experiment using a computational fluid dynamics model

    DEFF Research Database (Denmark)

    Kinch, K.M.; Merrison, J.P.; Gunnlaugsson, H.P.;

    2006-01-01

    Motivated by questions raised by the magnetic properties experiments on the NASA Mars Pathfinder and Mars Exploration Rover (MER) missions, we have studied in detail the capture of airborne magnetic dust by permanent magnets using a computational fluid dynamics (CFD) model supported by laboratory...

  7. Field diffusion-like representation and experimental identification of a dynamic magnetization property

    Energy Technology Data Exchange (ETDEWEB)

    Maloberti, Olivier [LEG-INPG/UJF-CNRS UMR 5529: BP 46, 38402 Saint Martin d' Heres cedex (France) and Schneider Electric Corporate Research and Developments, 37 quai Paul Louis Merlin, 38050 Grenoble cedex 9 (France)]. E-mail: olivier.maloberti@schneider-electric.com; Kedous-Lebouc, A. [LEG-INPG/UJF-CNRS UMR 5529: BP 46, 38402 Saint Martin d' Heres cedex (France); Geoffroy, O. [LLN-UJF/INPG-CNRS UPR 5051: 25 avenue des Martyrs, 38050 Grenoble cedex 9 (France); Meunier, G. [LEG-INPG/UJF-CNRS UMR 5529: BP 46, 38402 Saint Martin d' Heres cedex (France); Mazauric, V. [Schneider Electric Corporate Research and Developments, 37 quai Paul Louis Merlin, 38050 Grenoble cedex 9 (France)

    2006-09-15

    So as to fuse dynamic magnetization properties of soft materials with the electromagnetism theory, we investigate the inclusion of microscopic reversal processes related to domains and walls in macroscopic Maxwell equations. We first introduce a model for independent walls and the unidirectional motion mechanism; then we characterize one sample with measurements and analytical calculations in case of one-dimensional linear problems.

  8. Global and local properties used as analyses tools for molecular-dynamics simulations

    Science.gov (United States)

    Bachlechner, Martina E.; Anderson, Jonas T.; Cao, Deng; Leonard, Robert H.; Owens, Eli T.; Schiffbauer, Jarrod E.; Burky, Melissa R.; Ducatman, Samuel C.; Guffey, Eric J.; Serrano Ramos2, Fernando

    2006-03-01

    Molecular dynamics simulations have been used to study mechanical failure in realistic interface materials. Averaging over the individual atoms' contributions yields local and global information including displacements, bond angles, strains, stress tensor components, and pair distribution functions. A combined analysis of global and local properties facilitates detailed insight in the mechanisms of failure, which will eventually guide on how to prevent failure of interfaces.

  9. Dynamic dielectric properties of a wood liquefaction system using polyethylene glycol and glycerol

    Science.gov (United States)

    Mengchao Zhou; Thomas L. Eberhardt; Bo Cai; Chung-Yun Hse; Hui Pan

    2017-01-01

    Microwave-assisted liquefaction has shown potential for rapid thermal processing of lignocellulosic biomass. The efficiency of microwave heating depends largely on the dielectric properties of the materials being heated. The objective of this study was to investigate the dynamic interactions between microwave energy and the reaction system during the liquefaction of a...

  10. Mechanics and dynamics of triglyceride-phospholipid model membranes: Implications for cellular properties and function

    DEFF Research Database (Denmark)

    Pakkanen, Kirsi I.; Duelund, Lars; Qvortrup, Klaus

    2011-01-01

    We demonstrate here that triolein alters the mechanical properties of phospholipid membranes and induces extraordinary conformational dynamics. Triolein containing membranes exhibit fluctuations up to size range of 100µm and with the help of these are e.g. able to squeeze through narrow passages ...

  11. Mechanics and dynamics of triglyceride-phospholipid model membranes: Implications for cellular properties and function

    DEFF Research Database (Denmark)

    Pakkanen, Kirsi I.; Duelund, Lars; Qvortrup, Klaus

    2011-01-01

    We demonstrate here that triolein alters the mechanical properties of phospholipid membranes and induces extraordinary conformational dynamics. Triolein containing membranes exhibit fluctuations up to size range of 100µm and with the help of these are e.g. able to squeeze through narrow passages ...

  12. Compression-based investigation of the dynamical properties of cellular automata and other systems

    CERN Document Server

    Zenil, Hector

    2009-01-01

    A method for studying the qualitative dynamical properties of abstract computing machines based on the approximation of their program-size complexity using a general lossless compression algorithm is presented. It is shown that the compression-based approach classifies cellular automata (CA) into clusters according to their heuristic behavior, with these clusters showing a correspondence with Wolfram's main classes of CA behavior. A compression based method to estimate a characteristic exponent to detect phase transitions and measure the resiliency or sensitivity of a system to its initial conditions is also proposed, constituting a compression-based framework for investigating the dynamical properties of cellular automata and other systems. Keywords: cellular automata classification, Wolfram's four classes, phase transition detection, program-size complexity, compression-based clustering, non-linear dynamics, Lyapunov characteristic exponents.

  13. Dependence of Dynamic Modeling Accuracy on Sensor Measurements, Mass Properties, and Aircraft Geometry

    Science.gov (United States)

    Grauer, Jared A.; Morelli, Eugene A.

    2013-01-01

    The NASA Generic Transport Model (GTM) nonlinear simulation was used to investigate the effects of errors in sensor measurements, mass properties, and aircraft geometry on the accuracy of identified parameters in mathematical models describing the flight dynamics and determined from flight data. Measurements from a typical flight condition and system identification maneuver were systematically and progressively deteriorated by introducing noise, resolution errors, and bias errors. The data were then used to estimate nondimensional stability and control derivatives within a Monte Carlo simulation. Based on these results, recommendations are provided for maximum allowable errors in sensor measurements, mass properties, and aircraft geometry to achieve desired levels of dynamic modeling accuracy. Results using additional flight conditions and parameter estimation methods, as well as a nonlinear flight simulation of the General Dynamics F-16 aircraft, were compared with these recommendations

  14. Size and Geometry Effects on the Mechanical Properties of Carrara Marble Under Dynamic Loadings

    Science.gov (United States)

    Zou, Chunjiang; Wong, Louis Ngai Yuen

    2016-05-01

    The effects of specimen size and geometry on the dynamic mechanical properties of Carrara marble including compressive strength, failure strain and elastic modulus are investigated in this research. Four different groups of specimens of different sizes and cross-sectional geometries are loaded under a wide range of strain rates by the split Hopkinson pressure bar setup. The experimental results indicate that all these mechanical properties are significantly influenced by the specimen size and geometry to different extent, hence highlighting the importance of taking into account of the specimen size and geometry in dynamic tests on rock materials. In addition, the transmission coefficient and the determination of strain rate under dynamic tests are discussed in detail.

  15. Electronic Properties of the Zirconium Crystal with Vacancies and Dynamics of Vacancies: ab-initio Calculations and Molecular Dynamics

    Directory of Open Access Journals (Sweden)

    V.O. Kharchenko

    2015-06-01

    Full Text Available Within this paper we have the studied structural and electronic properties of zirconium crystal with vacancies from the first principles. We have defined the optimal values for the lattice constants. The corresponding densities of states and energetic spectrum were calculated. These results gave a possibility to define the Fermi structure of the zirconium crystal with vacancies. In the framework of the molecular dynamics simulations we have studied the dynamics of the ensemble of periodically located vacancies in the zirconium crystal with an increase in temperature. We have analyzed the reconstruction of atomic structure and change in the total volume of the crystal with the temperature growth. The dependencies of the volume expansion coefficient for the pure zirconium without vacancies end zirconium crystal with different vacancies concentration on the temperature were studied.

  16. Dynamic-mechanical and thermomechanical properties of cellulose nanofiber/polyester resin composites.

    Science.gov (United States)

    Lavoratti, Alessandra; Scienza, Lisete Cristine; Zattera, Ademir José

    2016-01-20

    Composites of unsaturated polyester resin (UPR) and cellulose nanofibers (CNFs) obtained from dry cellulose waste of softwood (Pinus sp.) and hardwood (Eucalyptus sp.) were developed. The fiber properties and the influence of the CNFs in the dynamic-mechanical and thermomechanical properties of the composites were evaluated. CNFs with a diameter of 70-90 nm were obtained. Eucalyptus sp. has higher α-cellulose content than Pinus sp. fibers. The crystallinity of the cellulose pulps decreased after grinding. However, high values were still obtained. The chemical composition of the fibers was not significantly altered by the grinding process. Eucalyptus sp. CNF composites had water absorption close to the neat resin at 1 wt% filler. The dynamic-mechanical properties of Eucalyptus sp. CNFs were slightly increased and the thermal stability was improved.

  17. The need for speed: informed land acquisitions for conservation in a dynamic property market.

    Science.gov (United States)

    McDonald-Madden, Eve; Bode, Michael; Game, Edward T; Grantham, Hedley; Possingham, Hugh P

    2008-11-01

    Land acquisition is a common approach to biodiversity conservation but is typically subject to property availability on the public market. Consequently, conservation plans are often unable to be implemented as intended. When properties come on the market, conservation agencies must make a choice: purchase immediately, often without a detailed knowledge of its biodiversity value; survey the parcel and accept the risk that it may be removed from the market during this process; or not purchase and hope a better parcel comes on the market at a later date. We describe both an optimal method, using stochastic dynamic programming, and a simple rule of thumb for making such decisions. The solutions to this problem illustrate how optimal conservation is necessarily dynamic and requires explicit consideration of both the time period allowed for implementation and the availability of properties.

  18. Dynamic measurement of coal thermal properties and elemental composition of volatile matter during coal pyrolysis

    Directory of Open Access Journals (Sweden)

    Rohan Stanger

    2014-01-01

    Full Text Available A new technique that allows dynamic measurement of thermal properties, expansion and the elemental chemistry of the volatile matter being evolved as coal is pyrolysed is described. The thermal and other properties are measured dynamically as a function of temperature of the coal without the need for equilibration at temperature. In particular, the technique allows for continuous elemental characterisation of tars as they are evolved during pyrolysis and afterwards as a function of boiling point. The technique is demonstrated by measuring the properties of maceral concentrates from a coal. The variation in heats of reaction, thermal conductivity and expansion as a function of maceral composition is described. Combined with the elemental analysis, the results aid in the interpretation of the chemical processes contributing to the physical and thermal behaviour of the coal during pyrolysis. Potential applications in cokemaking studies are discussed.

  19. Assessment of dynamic properties and stiffness of composite bridges with pavement defects

    Science.gov (United States)

    Kartopol'tsev, Vladimir; Kartopol'tsev, Andrei; Kolmakov, Boris

    2017-01-01

    This paper is aimed at assessing the dynamic properties and stiffness of the reinforced concrete roadway slab under live loads that impact composite bridge girders considering pavement defects. A special attention is paid to the reinforced concrete roadway slab as a transfer member of forced oscillations. The test results obtained for bridges with different spans ranging from 24 to 110 m are presented to assess the behavior of the reinforced concrete roadway slab and the dynamic stiffness of bridge span allowed for the pavement defects. Dynamic tests are carried out under controlled and random loads that simulate live load interaction with the span and the pavement with defects. The differential equations are presented for vertical oscillations of spans, pavement defect parameter, Eigen frequency and others. As a result of the experimental research the equation is derived to ascertain the dynamic stiffness of the vehicle-span system.

  20. DYNAMIC PROPERTIES OF AL-ALLOY FOAM BEAM DAMAGED BY COMPRESSIVE FATIGUE

    Institute of Scientific and Technical Information of China (English)

    Sung-Gaun Kim; Ilhyun Kim; Amkee Kim; Seung-Joon Kim; Junhong Park

    2008-01-01

    The permanent residual strain in aluminum (Al) alloy foams induced by compressive fatigue gradually increases with the increasing number of loading cycles.Consequently,the progressive shortening of Al-alloy foam degrades the dynamic material performance by the failure and ratcheting of multi-cells in the foam.In this paper,the dynamic properties of Al-alloy foams damaged by compressive fatigue were studied.The beam specimens with various residual strains were made by cyclic compression-compression stress.The dynamic bending modulus and loss factor were evaluated by using a beam transfer function method.As a result,the dynamic bending stiffness of Al-alloy foam turned out to be decreased due to damage while the loss factor was improved because of the increasing energy dissipation of such factors as cracked cell walls formed during the shortening process of the foam.The loss factor shows a manifest dependence on the fatigue residual strain.

  1. Molecular dynamics simulations of highly cross-linked polymer networks: prediction of thermal and mechanical properties

    Science.gov (United States)

    Shenogina, Natalia; Tsige, Mesfin; Mukhopadhyay, Sharmila; Patnaik, Soumya

    2012-02-01

    We use all-atom molecular dynamics (MD) simulations to predict the mechanical and thermal properties of thermosetting polymers. Atomistic simulation is a promising tool which can provide detailed structure-property relationships of densely cross-linked polymer networks. In this work we study the thermo-mechanical properties of thermosetting polymers based on amine curing agents and epoxy resins and have focused on the DGEBA/DETDA epoxy system. At first we describe the modeling approach to construction of realistic all-atom models of densely cross-linked polymer matrices. Subsequently, a series of atomistic simulations was carried out to examine the simulation cell size effect as well as the role of cross-linking density and chain length of the resin strands on thermo-mechanical properties at different temperatures. Two different methods were used to deform the polymer networks. Both static and dynamic approaches to calculating the mechanical properties were considered and the thermo-mechanical properties obtained from our simulations were found in reasonable agreement with experimental values.

  2. The effects of dynamic stretching on the passive properties of the muscle-tendon unit.

    Science.gov (United States)

    Herda, Trent J; Herda, Nathan D; Costa, Pablo B; Walter-Herda, Ashley A; Valdez, Andrea M; Cramer, Joel T

    2013-01-01

    The purpose of this study was to examine the effects of dynamic stretching on the passive biomechanical properties and isometric muscle strength of the knee flexors. Fourteen healthy men (mean ± s: age = 24 ± 3 years) performed passive range of motion assessments and isometric maximal voluntary contractions of the knee flexors at knee joint angles of 35°, 50°, 65°, 80°, and 95° below full knee extension before and after dynamic stretching. In addition, electromyographic amplitude was recorded from the biceps femoris during the maximal voluntary contractions. Passive stiffness and passive resistive torque were measured during pre- and post-dynamic stretching. The dynamic stretching included the participant extending their right leg outwards to the end range motion and pulling their leg back towards the body while seated in the isokinetic dynamometer for four 30-s bouts with 20-s rest between bouts. Passive range of motion increased while passive stiffness and passive resistive torque decreased following dynamic stretching. Peak torque decreased at knee joint angles of 65° and 80° below full extension, while electromyographic amplitude decreased following dynamic stretching. Dynamic stretching resulted in changes to passive stiffness and passive resistive torque that are typically reported following static stretching, however, there were decreases in peak torque at two of the knee joint angles.

  3. The effects of dynamic stretching on plantar flexor muscle-tendon tissue properties.

    Science.gov (United States)

    Samukawa, Mina; Hattori, Masaki; Sugama, Naoko; Takeda, Naoki

    2011-12-01

    Dynamic stretching is commonly used in warm-up routines for athletic activities. Even though several positive effects of dynamic stretching on athletic performance have been reported, the effects on the muscle-tendon unit (MTU) itself are still unclear. The objective of this study is to determine the effects of dynamic stretching on the ankle plantar flexor muscle-tendon properties by use of ultrasonography. Twenty healthy male subjects participated in the present study. The subjects were asked to engage in dynamic stretching of plantar flexors for 30 s and to repeat for 5 sets. Ankle dorsiflexion ROM was measured before and after the dynamic stretching. Changes in the displacement of the myotendinous junction (MTJ), pennation angle, and fascicle length were also determined by using ultrasonography. Ankle dorsiflexion ROM increased significantly after the dynamic stretching (p MTJ was observed until the second stretching set (p MTJ was found, indicating some change in the tendon tissues. Therefore, dynamic stretching of the plantar flexors was considered an effective means of lengthening the tendon tissues. Copyright © 2011 Elsevier Ltd. All rights reserved.

  4. Classical molecular dynamics simulation on the dynamical properties of H2 on silicene layer

    Directory of Open Access Journals (Sweden)

    Casuyac Miqueas

    2016-01-01

    Full Text Available This study investigates the diffusion of hydrogen molecule physisorbed on the surface of silicene nanoribbon (SiNRusing the classical molecular dynamic (MD simulation in LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator. The interactions between silicon atoms are modeled using the modified Tersoff potential, the Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO potential for hydrogen – hydrogen interaction and the Lennard – Jones potential for the physisorbed H2 on SiNR. By varying the temperatures (60 K Δ 130 K, we observed that the Δxdisplacement of H2 on the surface SiNR shows a Brownian motion on a Lennard-Jones potential and a Gaussian probability distribution can be plotted describing the diffusion of H2. The calculated mean square displacement (MSD was approximately increasing in time and the activation energy barrier for diffusion has been found to be 43.23meV.

  5. Characterization of dynamic change of Fan-delta reservoir properties in water-drive development

    Energy Technology Data Exchange (ETDEWEB)

    Wu Shenghe; Xiong Qihua; Liu Yuhong [Univ. of Petroleum Changping, Beijing (China)

    1997-08-01

    Fan-delta reservoir in Huzhuangji oil field of east China, is a typical highly heterogeneous reservoir. The oil field has been developed by water-drive for 10 years, but the oil recovery is less than 12%, and water cut is over 90%, resulting from high heterogeneity and serious dynamic change of reservoir properties. This paper aims at the study of dynamic change of reservoir properties in water-drive development. Through quantitative imaging analysis and mercury injection analysis of cores from inspection wells, the dynamic change of reservoir pore structure in water-drive development was studied. The results show that the {open_quotes}large pore channels{close_quotes} develop in distributary channel sandstone and become larger in water-drive development, resulting in more serious pore heterogeneity. Through reservoir sensitivity experiments, the rock-fluid reaction in water-drive development is studied. The results show the permeability of some distal bar sandstone and deserted channel sandstone becomes lower due to swelling of I/S clay minerals in pore throats. OD the other hand, the permeability of distributary channel and mouth bar sandstone become larger because the authigenic Koalinites in pore throats are flushed away with the increase of flow rate of injection water. Well-logging analysis of flooded reservoirs are used to study the dynamic change of reservoir properties in various flow units. The distribution of remaining oil is closely related to the types and distribution of flow units.

  6. Detecting abrupt dynamic change based on changes in the fractal properties of spatial images

    Science.gov (United States)

    Liu, Qunqun; He, Wenping; Gu, Bin; Jiang, Yundi

    2016-08-01

    Many abrupt climate change events often cannot be detected timely by conventional abrupt detection methods until a few years after these events have occurred. The reason for this lag in detection is that abundant and long-term observational data are required for accurate abrupt change detection by these methods, especially for the detection of a regime shift. So, these methods cannot help us understand and forecast the evolution of the climate system in a timely manner. Obviously, spatial images, generated by a coupled spatiotemporal dynamical model, contain more information about a dynamic system than a single time series, and we find that spatial images show the fractal properties. The fractal properties of spatial images can be quantitatively characterized by the Hurst exponent, which can be estimated by two-dimensional detrended fluctuation analysis (TD-DFA). Based on this, TD-DFA is used to detect an abrupt dynamic change of a coupled spatiotemporal model. The results show that the TD-DFA method can effectively detect abrupt parameter changes in the coupled model by monitoring the changing in the fractal properties of spatial images. The present method provides a new way for abrupt dynamic change detection, which can achieve timely and efficient abrupt change detection results.

  7. Study on Dynamic Mechanical Properties of Limestone under Uniaxial Impact Compressive Loads

    Directory of Open Access Journals (Sweden)

    Fei Zou

    2016-01-01

    Full Text Available The dynamic mechanical properties of limestone are studied with 5 types of impact pressure acting on limestone samples in axial direction in this paper. The rubber shaper with a diameter of 5 mm and thickness of 2 mm is adopted. Besides the conical punch of split pressure bar of Hopkinson with a diameter of 50 mm is also used. The half-sinusoid pulse is obtained by using the pulse shaper method and special punch method; the constant strain rate deformation of the sample is realized. Dynamic compressive properties and failure modes of limestone under different impact pressure are investigated. In addition, energy dissipation is studied in the process of experiment. The results show that the dynamic compressive strength of limestone has an exponent relation to strain rate. The failure strain, degree of fragmentation, incident energy, and absorption energy increase, while the energy absorbency decreases with the increasing of strain rate. However, the initial elastic modulus is not sensitive to the strain rate. The research method and conclusions have reference value for the dynamic mechanical properties of other brittle materials.

  8. Thermodynamic scaling of dynamic properties of liquid crystals: verifying the scaling parameters using a molecular model.

    Science.gov (United States)

    Satoh, Katsuhiko

    2013-08-28

    The thermodynamic scaling of molecular dynamic properties of rotation and thermodynamic parameters in a nematic phase was investigated by a molecular dynamic simulation using the Gay-Berne potential. A master curve for the relaxation time of flip-flop motion was obtained using thermodynamic scaling, and the dynamic property could be solely expressed as a function of TV(γτ) , where T and V are the temperature and volume, respectively. The scaling parameter γτ was in excellent agreement with the thermodynamic parameter Γ, which is the logarithm of the slope of a line plotted for the temperature and volume at constant P2. This line was fairly linear, and as good as the line for p-azoxyanisole or using the highly ordered small cluster model. The equivalence relation between Γ and γ(τ) was compared with results obtained from the highly ordered small cluster model. The possibility of adapting the molecular model for the thermodynamic scaling of other dynamic rotational properties was also explored. The rotational diffusion constant and rotational viscosity coefficients, which were calculated using established theoretical and experimental expressions, were rescaled onto master curves with the same scaling parameters. The simulation illustrates the universal nature of the equivalence relation for liquid crystals.

  9. Evolution, Interaction, and Intrinsic Properties of Dislocations in Intermetallics: Anisotropic 3D Dislocation Dynamics Approach

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Qian [Iowa State Univ., Ames, IA (United States)

    2008-01-01

    The generation, motion, and interaction of dislocations play key roles during the plastic deformation process of crystalline solids. 3D Dislocation Dynamics has been employed as a mesoscale simulation algorithm to investigate the collective and cooperative behavior of dislocations. Most current research on 3D Dislocation Dynamics is based on the solutions available in the framework of classical isotropic elasticity. However, due to some degree of elastic anisotropy in almost all crystalline solids, it is very necessary to extend 3D Dislocation Dynamics into anisotropic elasticity. In this study, first, the details of efficient and accurate incorporation of the fully anisotropic elasticity into 3D discrete Dislocation Dynamics by numerically evaluating the derivatives of Green's functions are described. Then the intrinsic properties of perfect dislocations, including their stability, their core properties and disassociation characteristics, in newly discovered rare earth-based intermetallics and in conventional intermetallics are investigated, within the framework of fully anisotropic elasticity supplemented with the atomistic information obtained from the ab initio calculations. Moreover, the evolution and interaction of dislocations in these intermetallics as well as the role of solute segregation are presented by utilizing fully anisotropic 3D dislocation dynamics. The results from this work clearly indicate the role and the importance of elastic anisotropy on the evolution of dislocation microstructures, the overall ductility and the hardening behavior in these systems.

  10. Dynamical and structural properties of lipid membranes in relation to liposomal drug delivery systems

    DEFF Research Database (Denmark)

    Jørgensen, Kent; Høyrup, Lise Pernille Kristine; Pedersen, Tina B.

    2001-01-01

    The structural and dynamical properties of DPPC liposomes containing lipopolymers (PEG-lipids) and charged DPPS lipids have been,studied in relation to the lipid membrane interaction of enzymes and peptides. The results suggest that both the lipid membrane structure and dynamics and in particular...... the appearance of small-scale lipid structures might be of importance for the activity of membrane associated and liposome degrading enzymes as well as for the membrane interaction of acylated peptides. The combined experimental and simulation results are of relevance for a rational development of peptide loaded...

  11. Nonsteady dynamic properties of a domain wall for the creep state under an alternating driving field

    Science.gov (United States)

    Zhou, N. J.; Zheng, B.

    2014-07-01

    With Monte Carlo simulations, the nonsteady dynamic properties of a domain wall have been systematically investigated for the thermally activated creep state under an alternating driving field. Taking the driven random-field Ising model in two dimensions as an example, two distinct growth stages of the domain interface are identified with both the correlation length and roughness function. One stage belongs to the universality class of the random depositions, and the other to that of the quenched Edwards-Wilkinson equation. In the latter case, due to the dynamic effect of overhangs, the domain interface may exhibit an intrinsic anomalous scaling behavior, different from that of the quenched Edwards-Wilkinson equation.

  12. Orbital free ab initio study of static and dynamic properties of some liquid transition metals

    Directory of Open Access Journals (Sweden)

    Bhuiyan G. M.

    2017-01-01

    Full Text Available Several static and dynamic properties of liquid transition metals Cr, Mn and Co are studied for the first time using the orbital free ab-initio molecular dynamics simulation (OF-AIMD. This method is based on the density functional theory (DFT which accounts for the electronic energy of the system whereas the interionic forces are derived from the electronic energy via the Hellman-Feynman theorem. The external energy functional is treated with a local pseudopotential. Results are reported for static structure factors, isothermal compressibility, diffusion coeffcients, sound velocity and viscosity and comparison is performed with the available experimental data and other theoretical calculations.

  13. Crystal structural and diffusion property in titanium carbides: A molecular dynamics study

    Science.gov (United States)

    Lv, Yanan; Gao, Weimin

    2016-09-01

    Titanium carbides were studied via molecular dynamics simulation to characterize TiCx structures with respect to the carbon diffusion properties in this study. The effect of carbon concentration on atomic structures of titanium carbides was investigated through discussing the structure variation and the radial distribution functions of carbon atoms in titanium carbides. The carbon diffusion in titanium carbides was also analyzed, focusing on the dependence on carbon concentration and carbide structure. Carbon diffusivity with different carbon concentrations was determined by molecular dynamics (MD) calculations and compared with the available experimental data. The simulation results showed an atomic exchange mechanism for carbon diffusion in titanium carbide.

  14. Transformation properties of dynamic χ(2) holograms generating at the difference frequency

    Science.gov (United States)

    Miloglyadov, E. V.; Stasel'ko, D. I.

    2016-07-01

    The transformation properties of dynamic χ(2) holograms generating at the difference frequency are analyzed as applied to the position and scales of reconstructed images. Some regularities are established for the spatial localization and scales of images for different combinations of frequencies and positions of the reference and object point sources, involved in the formation of a holographic image. The formation of amplitude transparency images, reconstructed by dynamic χ(2) holograms with a decrease or conservation of the object beam frequency, and their transformations are experimentally demonstrated.

  15. Dynamic Diamond Anvil Cell (dDAC): A novel device for studying the dynamic-pressure properties of materials

    Energy Technology Data Exchange (ETDEWEB)

    Evans, W J; Yoo, C; Lee, G W; Cynn, H; Lipp, M J; Visbeck, K

    2007-02-23

    We have developed a unique device, a dynamic diamond anvil cell (dDAC), which repetitively applies a time-dependent load/pressure profile to a sample. This capability allows studies of the kinetics of phase transitions and metastable phases at compression (strain) rates of up to 500 GPa/sec ({approx}0.16 s{sup -1} for a metal). Our approach adapts electromechanical piezoelectric actuators to a conventional diamond anvil cell design, which enables precise specification and control of a time-dependent applied load/pressure. Existing DAC instrumentation and experimental techniques are easily adapted to the dDAC to measure the properties of a sample under the varying load/pressure conditions. This capability addresses the sparsely studied regime of dynamic phenomena between static research (diamond anvil cells and large volume presses) and dynamic shock-driven experiments (gas guns, explosive and laser shock). We present an overview of a variety of experimental measurements that can be made with this device.

  16. Coupled light transport-heat diffusion model for laser dosimetry with dynamic optical properties

    Energy Technology Data Exchange (ETDEWEB)

    London, R.A.; Glinsky, M.E.; Zimmerman, G.B.; Eder, D.C. [Lawrence Livermore National Lab., CA (United States); Jacques, S.L. [Texas Univ., Houston, TX (United States). M.D. Anderson Cancer Center

    1995-03-01

    The effect of dynamic optical properties on the spatial distribution of light in laser therapy is studied via numerical simulations. A two-dimensional, time dependent computer program called LATIS is used. Laser light transport is simulated with a Monte Carlo technique including anisotropic scattering and absorption. Thermal heat transport is calculated with a finite difference algorithm. Material properties are specified on a 2-D mesh and can be arbitrary functions of space and time. Arrhenius rate equations are solved for tissue damage caused by elevated temperatures. Optical properties are functions of tissue damage, as determined by previous measurements. Results are presented for the time variation of the light distribution and damage within the tissue as the optical properties of the tissue are altered.

  17. Static and dynamic mechanical properties of amorphous recycled poly-(ethylene terepthalate)

    Science.gov (United States)

    Rajakutty, Arjun

    Scope and Method of Study: Polymers are among the largest used materials today in the world. PET has a significant market share among all the other polymers. More than 90% of plastic bottles made in the world are from PET. With this huge amount of material being used, the impact on the environment in the form of increasing landfills and carbon dioxide emissions has also been high. Hence the need to recycle PET and reuse it has been a topic of interest over the last few years. However, loss in properties of recycled PET (rPET) has been a concern and it is still considered secondary to virgin PET. This work was aimed at studying the mechanical properties of rPET and comparing these properties with those from virgin PET. The dynamic behavior of PET was part of this study. Apart from studying the mechanical properties of rPET, several other tests were performed to study thermal properties, crystallinity, color measurements (yellowing), friction behavior and also to determine structural performance of blow molded bottles. Material properties obtained from experimental results were used as input for Finite Element simulations. Findings and Conclusions: The findings and results from this research have provided a framework to understand the mechanical properties of rPET. The method of tensile testing using the custom fixture was an efficient means of determining bulk mechanical properties. rPET was found to have properties similar to virgin PET resins with dynamic measurements showing the greatest differences near 100 mm/min. The dynamic properties with increasing strain rates generally fit power law or exponential curves. DSC measurements along the preform helped to understand the crystallinity distribution and validate the new tensile sample injection method. Strain induced crystallization was also observed. Color measurements provided a good indication of the yellowness index values in rPET and changes in these values on addition of coloring agents. Top load and hoop

  18. Dynamic modeling, property investigation, and adaptive controller design of serial robotic manipulators modeled with structural compliance

    Science.gov (United States)

    Tesar, Delbert; Tosunoglu, Sabri; Lin, Shyng-Her

    1990-01-01

    Research results on general serial robotic manipulators modeled with structural compliances are presented. Two compliant manipulator modeling approaches, distributed and lumped parameter models, are used in this study. System dynamic equations for both compliant models are derived by using the first and second order influence coefficients. Also, the properties of compliant manipulator system dynamics are investigated. One of the properties, which is defined as inaccessibility of vibratory modes, is shown to display a distinct character associated with compliant manipulators. This property indicates the impact of robot geometry on the control of structural oscillations. Example studies are provided to illustrate the physical interpretation of inaccessibility of vibratory modes. Two types of controllers are designed for compliant manipulators modeled by either lumped or distributed parameter techniques. In order to maintain the generality of the results, neither linearization is introduced. Example simulations are given to demonstrate the controller performance. The second type controller is also built for general serial robot arms and is adaptive in nature which can estimate uncertain payload parameters on-line and simultaneously maintain trajectory tracking properties. The relation between manipulator motion tracking capability and convergence of parameter estimation properties is discussed through example case studies. The effect of control input update delays on adaptive controller performance is also studied.

  19. Effect of Temperature and Strain Rate on Dynamic Properties of Low Silicon TRIP Steel

    Institute of Scientific and Technical Information of China (English)

    TIAN Rong; LI Lin; B C De Cooman; WEI Xi-chen; SUN Peng

    2006-01-01

    The dynamic tensile test of 0.11C-0.62Si-1.65Mn TRIP steel was carried out at different strain rates and test temperatures. The results show that both temperature and strain rate affect the retained austenite transformation. At high strain rates, the uniform elongation decreases, whereas the total elongation and energy absorption increase. The tensile strength is less strain rate sensitive. With raising test temperature, the tensile strength is reduced and the mechanical properties generally deteriorate, especially at 110 ℃. However, excellent mechanical properties were obtained at 50 ℃ and 75 ℃.

  20. The atmospheric structure and dynamical properties of Neptune derived from ground-based and IUE spectrophotometry

    Science.gov (United States)

    Baines, Kevin H.; Smith, Wm. Hayden

    1990-01-01

    A wide range of recent full-disk spectral observations is used to constrain the atmospheric structure and dynamical properties of Neptune; analytical determinations are made of the abundances of such spectrally active gas species as the deep-atmosphere CH4 molar fraction and the mean ortho/para hydrogen ratio in the visible atmosphere, as well as stratospheric and tropospheric aerosol properties. Compared to Uranus, the greater abundance and shorter lifetimes of Neptunian particulates in the stratospheric region irradiated by the solar UV flux indicate that such radiation is the darkening agent of stratospheric aerosols on both planets.

  1. Alternative method for identification of the dynamic properties of bolted joints

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Tieneng [Beijing Univ. of Technology, Beijing (China); Li, Ling; Cai, Ligang; Zhao, Yong Sheng [Xi' an Univ. of Architecture Technology, Xi' an (China)

    2012-10-15

    Bolted joints often have a significant effect on the dynamical behavior of assembled mechanical structures. An accurate model of an assembled structure depends on correctly determining and identifying the dynamic parameters of bolted joints. This paper presents an alternative method for identifying these dynamic parameters using structure's natural frequency and damping. A novel experiment is designed with a test piece consisting of only bolted joints, with the governing equations of the test piece established using the analytical method. The relationships between the equivalent dynamic parameters of the bolted joints and the natural frequencies and damping ratios of the test piece are determined for both the normal and tangential directions. The parameter identification problem for bolted joints is thus transformed into a test of the natural frequency and the damping ratio of the test piece. In order to check the accuracy of the proposed identification method, the test piece and bolted joints are modeled using the finite element method (FEM) and the dynamic properties of the test piece are analyzed. The maximum error between the natural frequencies of the FEM result and the experimental values in the normal and tangential models are 4.73% and 0.34%, respectively. The result indicates that the proposed method is valid for the dynamic parameter identification of bolted joints.

  2. Dynamical properties of liquid water from ab initio molecular dynamics performed in the complete basis set limit

    Science.gov (United States)

    Lee, Hee-Seung; Tuckerman, Mark E.

    2007-04-01

    Dynamical properties of liquid water were studied using Car-Parrinello [Phys. Rev. Lett. 55, 2471 (1985)] ab initio molecular dynamics (AIMD) simulations within the Kohn-Sham (KS) density functional theory employing the Becke-Lee-Yang-Parr exchange-correlation functional for the electronic structure. The KS orbitals were expanded in a discrete variable representation basis set, wherein the complete basis set limit can be easily reached and which, therefore, provides complete convergence of ionic forces. In order to minimize possible nonergodic behavior of the simulated water system in a constant energy (NVE) ensemble, a long equilibration run (30ps) preceded a 60ps long production run. The temperature drift during the entire 60ps trajectory was found to be minimal. The diffusion coefficient [0.055Å2/ps] obtained from the present work for 32 D2O molecules is a factor of 4 smaller than the most up to date experimental value, but significantly larger than those of other recent AIMD studies. Adjusting the experimental result so as to match the finite-sized system used in the present study brings the comparison between theory and experiment to within a factor of 3. More importantly, the system is not observed to become "glassy" as has been reported in previous AIMD studies. The computed infrared spectrum is in good agreement with experimental data, especially in the low frequency regime where the translational and librational motions of water are manifested. The long simulation length also made it possible to perform detailed studies of hydrogen bond dynamics. The relaxation dynamics of hydrogen bonds observed in the present AIMD simulation is slower than those of popular force fields, such as the TIP4P potential, but comparable to that of the TIP5P potential.

  3. Two successive magneto-structural transformations and their relation to enhanced magnetocaloric effect for Ni55.8Mn18.1Ga26.1 Heusler alloy.

    Science.gov (United States)

    Li, Zhe; Xu, Kun; Zhang, Yuanlei; Tao, Chang; Zheng, Dong; Jing, Chao

    2015-10-09

    In the present work, two successive magneto-structural transformations (MSTs) consisting of martensitic and intermartensitic transitions have been observed in polycrystalline Ni55.8Mn18.1Ga26.1 Heusler alloy. Benefiting from the additional latent heat contributed from intermediate phase, this alloy exhibits a large transition entropy change ΔStr with the value of ~27 J/kg K. Moreover, the magnetocaloric effect (MCE) has been also evaluated in terms of Maxwell relation. For a magnetic field change of 30 kOe, it was found that the calculated value of refrigeration capacity in Ni55.8Mn18.1Ga26.1 attains to ~72 J/kg around room temperature, which significantly surpasses those obtained for many Ni-Mn based Heusler alloys in the same condition. Such an enhanced MCE can be ascribed to the fact that the isothermal entropy change ΔST is spread over a relatively wide temperature interval owing to existence of two successive MSTs for studied sample.

  4. Two successive magneto-structural transformations and their relation to enhanced magnetocaloric effect for Ni55.8Mn18.1Ga26.1 Heusler alloy

    Science.gov (United States)

    Li, Zhe; Xu, Kun; Zhang, Yuanlei; Tao, Chang; Zheng, Dong; Jing, Chao

    2015-10-01

    In the present work, two successive magneto-structural transformations (MSTs) consisting of martensitic and intermartensitic transitions have been observed in polycrystalline Ni55.8Mn18.1Ga26.1 Heusler alloy. Benefiting from the additional latent heat contributed from intermediate phase, this alloy exhibits a large transition entropy change ΔStr with the value of ~27 J/kg K. Moreover, the magnetocaloric effect (MCE) has been also evaluated in terms of Maxwell relation. For a magnetic field change of 30 kOe, it was found that the calculated value of refrigeration capacity in Ni55.8Mn18.1Ga26.1 attains to ~72 J/kg around room temperature, which significantly surpasses those obtained for many Ni-Mn based Heusler alloys in the same condition. Such an enhanced MCE can be ascribed to the fact that the isothermal entropy change ΔST is spread over a relatively wide temperature interval owing to existence of two successive MSTs for studied sample.

  5. Two successive magneto-structural transformations and their relation to enhanced magnetocaloric effect for Ni55.8Mn18.1Ga26.1 Heusler alloy

    Science.gov (United States)

    Li, Zhe; Xu, Kun; Zhang, Yuanlei; Tao, Chang; Zheng, Dong; Jing, Chao

    2015-01-01

    In the present work, two successive magneto-structural transformations (MSTs) consisting of martensitic and intermartensitic transitions have been observed in polycrystalline Ni55.8Mn18.1Ga26.1 Heusler alloy. Benefiting from the additional latent heat contributed from intermediate phase, this alloy exhibits a large transition entropy change ΔStr with the value of ~27 J/kg K. Moreover, the magnetocaloric effect (MCE) has been also evaluated in terms of Maxwell relation. For a magnetic field change of 30 kOe, it was found that the calculated value of refrigeration capacity in Ni55.8Mn18.1Ga26.1 attains to ~72 J/kg around room temperature, which significantly surpasses those obtained for many Ni-Mn based Heusler alloys in the same condition. Such an enhanced MCE can be ascribed to the fact that the isothermal entropy change ΔST is spread over a relatively wide temperature interval owing to existence of two successive MSTs for studied sample. PMID:26450663

  6. Morphology, crystallization and dynamic mechanical properties of PA66/nano-SiO2 composites

    Indian Academy of Sciences (India)

    Huimin Lu; Xiangmin Xu; Xiaohong Li; Zhijun Zhang

    2006-10-01

    This article addresses the effect of nano-SiO2 on the morphology, crystallization and dynamic mechanical properties of polyamide 66. The influence of nano-SiO2 on the tensile fracture morphology of the nanocomposites was studied by scanning electron microscopy (SEM), which suggested that the nanocomposites revealed an extensive plastic stretch of the matrix polymer. The crystallization behaviour of polyamide 66 and its nanocomposites were studied by differential scanning calorimetry (DSC). DSC nonisothermal curves showed an increase in the crystallization temperature along with increasing degree of crystallinity. Dynamic mechanical properties (DMA) indicated significant improvement in the storage modulus and loss modulus compared with neat polyamide 66. The tan ä peak signifying the glass-transition temperature of nanocomposites shifted to higher temperature.

  7. Dynamic properties of the action potential encoder in an insect mechanosensory neuron.

    Science.gov (United States)

    French, A S

    1984-08-01

    A variety of sensory receptors show adaptation to dynamic stimuli that can be well characterized as fractional differentiation of the input signal. The cause of this behavior is unknown, but because it can be represented by linear systems theory, it has been assumed to arise during early linear processes of transduction or adaptation, rather than during the nonlinear process of action potential encoding. I measured the action potential encoding properties of an insect mechanoreceptor by direct electrical stimulation of the sensory cell axon and found a dynamic response that is identical to the response given by mechanical stimulation. This indicates that the fractional differentiation is a property of the encoder rather than the transducer.

  8. Influence of the flexibility of beams and slabs in static response and dynamic properties

    Directory of Open Access Journals (Sweden)

    J. R. BUENO

    Full Text Available Abstract This article examines numerically the flexibility influence of support beams in static response and dynamic properties of a symmetric plate formed by massive slabs of reinforced concrete in elastic linear regime, using the Finite Element Method. In the static response the variation of bending mo-ments and displacements are evaluated, which depend on the relationship between the flexibility of the slab and the beam. The evaluation of dynamic properties is held in undamped free vibration, through which the vibration modes and the values of the natural frequencies is obtained, which are compared with the limits of the Brazilian standard code for design of concrete structures. Results show that the response may show great variation due to the change in the relationship between bending stiffness of the slabs and the beams.

  9. Theoretical investigation of the structural, electronic, dynamical and thermal properties of YSn3 and YPb3

    Science.gov (United States)

    Kılıçarslan, Aynur; Salmankurt, Bahadır; Duman, Sıtkı

    2017-02-01

    We have performed an ab initio study of the structural, electronic, dynamical and thermal properties of the cubic AuCu3-type YSn3 and YPb3 by using the density functional theory, plane-wave pseudopotential method and a linear response scheme, within the generalized gradient approximation. An analysis of the electronic density of states at the Fermi level is found to be governed by the p states of Sn and Pb atoms with some contributions from the d states of Y atoms. The obtained phonon figures indicate that these material are dynamically stable in the cubic structure. Due to the metallic behavior of the compounds, the calculated zone-center phonon modes are triply degenerate. Also the thermal properties have been examined.

  10. Leveraging Ensemble Dynamical Properties to Prioritize Exoplanet Follow-Up Observations

    Science.gov (United States)

    Ballard, Sarah

    2017-01-01

    The number of transiting exoplanets now exceeds several thousand, enabling ensemble studies of the dynamical properties of exoplanetary systems. We require a mixture model of dynamical conditions (whether frozen in from formation or sculpted by planet-planet interactions) to recover Kepler's yield of transiting planets. Around M dwarfs, which will be predominate sites of exoplanet follow-up atmospheric study in the next decade, even a modest orbital eccentricity can sterilize a planet. I will describe efforts to link cheap observables, such as number of transiting planets and presence of transit timing variations, to eccentricity and mutual inclination in exoplanet systems. The addition of a second transiting planet, for example, halves the expected orbital eccentricity. For the vast majority of TESS targets, the light curve alone will furnish the sum total of data about the exoplanet. Extracting information about orbital properties from these light curves will help prioritize precious follow-up resources.

  11. EFFECTS OF PHENOL RESIN ADDITIVE ON DYNAMIC MECHANICAL PROPERTIES OF ACRYLATE RUBBER AND ITS BLENDS

    Institute of Scientific and Technical Information of China (English)

    Chi-fei Wu

    2003-01-01

    The dynamic mechanical properties of a new blend system consisting of phenol resin and polar polymer (acrylate rubber and/or chlorinated polypropylene) were investigated. It was found that the addition of phenol resin to acrylate rubber and its incompatible blend can cause a remarkable improvement in the temperature dependence of the loss tangent. As a result, the present blends are very good damping materials.

  12. Microscopic Study of Static and Dynamical Properties of Dilute One-Dimensional Soft Bosons

    Science.gov (United States)

    Teruzzi, M.; Galli, D. E.; Bertaina, G.

    2017-01-01

    We study static properties and the dynamical structure factor of zero-temperature dilute bosons interacting via a soft-shoulder potential in one dimension. Our approach is fully microscopic and employs state-of-the-art quantum Monte Carlo and analytic continuation techniques. By increasing the interaction strength, our model reproduces the Lieb-Liniger gas, the Tonks-Girardeau and the hard-rods models.

  13. Mass transport properties of Pu/DT mixtures from orbital free molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

    Kress, Joel David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ticknor, Christopher [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Collins, Lee A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-09-16

    Mass transport properties (shear viscosity and diffusion coefficients) for Pu/DT mixtures were calculated with Orbital Free Molecular Dynamics (OFMD). The results were fitted to simple functions of mass density (for ρ=10.4 to 62.4 g/cm3) and temperature (for T=100 up to 3,000 eV) for Pu/DT mixtures consisting of 100/0, 25/75, 50/50, and 75/25 by number.

  14. Investigation of nonlinear dynamic soil property at the Savannah River Site

    Energy Technology Data Exchange (ETDEWEB)

    Lee, R.C.

    2000-01-17

    This document summarizes laboratory dynamic soil testing investigations conducted by the University of Texas at Austin (UTA) for the Savannah River Site (SRS) (Stokoe et al., 1995a, Stokoe et al., 1995b, Sponseller and Stokoe, 1995). The purpose of the investigation is to provide an evaluation of past testing results in the context of new test data and the development of consistent site wide models of material strain dependencies based upon geologic formation, depth, and relevant index properties.

  15. Finite Element Modeling of Dynamic Properties of Power Supply for an Industrial Application

    OpenAIRE

    2014-01-01

    In this thesis, the dynamic properties of the mechanic structure of Power Supply for an Industrial Application, an Alstom company product, are considered. A finite element model of the Power Supply mechanic structure have been generated with the aid of the MSC Marc software. Based on the FE model; modal analysis have been carried out and the eigenfrequencies and eigenmodes for the FE model have been calculated in a suitable frequency range. Relevant frequency response functions for the FE mod...

  16. Effect of Fiber Orientation on Dynamic Compressive Properties of an Ultra-High Performance Concrete

    Science.gov (United States)

    2017-08-01

    Development of UHPCs began in Europe. In France, researchers at Bouygues* formulated reactive powder concrete (RPC). RPC was designed to have a...3(2):131-136. Ju, Y., H. Liu, G. Sheng, and H. Wang. 2010. Experimental study of dynamic mechanical properties of reactive powder concrete under...and M. Cheyrezy. 1995. Composition of reactive powder concretes . Cement and Concrete Research 25(7):1501-1511. Richardson, D. N. 1991. Review of

  17. Relations between structural properties and synchronizability on local world dynamical networks

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    In this paper, the effects of various structural properties on the synchronization of coupled oscillators with local-world coupling configurations are investigated. It is found that for local world networks, the larger heterogeneity of the degree distribution, the enhanced interconnection of nodes, and the increased clustering do not improve the synchronizability of dynamical systems. On the contrary, the increase of the maximum betweenness centrality appears to be responsible for the decrease of the synchronizability.

  18. An effective pair potential for liquid semiconductor, Se: Structure and related dynamical properties

    Indian Academy of Sciences (India)

    P P Nath; S Sarkar; R N Joarder

    2005-07-01

    The effective pair potential of liquid semiconductor Se is extracted from its experimental structure factor data using an accurate liquid state theory and this shows important basic features. A model potential incorporating the basic features of the structure factor extracted potential is suggested. This model potential is then used to describe through low-order perturbation theory, the structure and related dynamical properties like self-diffusion coefficient and shear viscosity of this complex liquid over a wide range of temperatures.

  19. Cellular Automata on Graphs: Topological Properties of ER Graphs Evolved towards Low-Entropy Dynamics

    Directory of Open Access Journals (Sweden)

    Marc-Thorsten Hütt

    2012-06-01

    Full Text Available Cellular automata (CA are a remarkably  efficient tool for exploring general properties of complex systems and spatiotemporal patterns arising from local rules. Totalistic cellular automata,  where the update  rules depend  only on the density of neighboring states, are at the same time a versatile  tool for exploring  dynamical  processes on graphs. Here we briefly review our previous results on cellular automata on graphs, emphasizing some systematic relationships between network architecture and dynamics identified in this way. We then extend the investigation  towards graphs obtained in a simulated-evolution procedure, starting from Erdő s–Rényi (ER graphs and selecting for low entropies of the CA dynamics. Our key result is a strong association of low Shannon entropies with a broadening of the graph’s degree distribution.

  20. Dynamical properties and complexity in fractional-order diffusionless Lorenz system

    Science.gov (United States)

    He, Shaobo; Sun, Kehui; Banerjee, Santo

    2016-08-01

    In this paper, dynamics and complexity of the fractional-order diffusionless Lorenz system which is solved by the developed discrete Adomian decomposition method are investigated numerically. Dynamical properties of the fractional-order diffusionless Lorenz system with the control parameter and derivative order varying is analyzed by using bifurcation diagrams, and period-doubling route to chaos in different cases is observed. The complexity of the system is investigated by means of Lyapunov characteristic exponents, multi-scale spectral entropy algorithm and multiscale Renyi permutation entropy algorithm. It can be observed that the three methods illustrate consistent results and the system has rich complex dynamics. Interestingly, complexity decreases with the increase of derivative order. It shows that the fractional-order diffusionless Lorenz system is a good model for real applications such as information encryption and secure communication.

  1. Correlation of Low-Frequency Noise to the Dynamic Properties of the Sensing Surface in Electrolytes.

    Science.gov (United States)

    Zhang, Da; Solomon, Paul; Zhang, Shi-Li; Zhang, Zhen

    2017-08-25

    Low-frequency noise (LFN) is of significant implications in ion sensing. As a primary component of LFN for ion sensing in electrolytes, the solid/liquid interfacial noise remains poorly explored especially regarding its relation to the surface binding/debinding dynamic properties. Here, we employ impedance spectroscopy to systematically characterize this specific noise component for its correlation to the dynamic properties of surface protonation (i.e., hydrogen binding) and deprotonation (i.e., hydrogen debinding) processes. This correlation is facilitated by applying our recently developed interfacial impedance model to ultrathin TiO2 layers grown by means of atomic layer deposition (ALD) on a TiN metallic electrode. With an excellent fitting of the measured noise power density spectra by the model for the studied TiO2 layers, we are able to extract several characteristic dynamic parameters for the TiO2 sensing surface. The observed increase of noise with TiO2 ALD cycles can be well accounted for with an increased average binding site density. This study provides insights into how detailed surface properties may affect the noise performance of an ion sensor operating in electrolytes.

  2. Simulation and Experiment of Dynamic Properties of Joint Surfaces Based on Fractal Theory

    Directory of Open Access Journals (Sweden)

    Haitao Liu

    2015-01-01

    Full Text Available Dynamic properties of joint surfaces are researched, micro behavior is also analyzed and a mathematical model based on fractal theory is built, and the relationships between normal dynamic characteristics of joints and surface pressure, surface roughness, and real contact area were simulated. The contact pressure in joint, equivalent stiffness, and damping in joint were nonstrict proportional relationship, higher surface quality of the contact joint surface, can increase normal stiffness and reduce normal damping in joint. Experiments are arranged according to the theoretical model in order to analyze the share of every major factor that affects dynamic properties of joint surfaces. Two common materials HT200 and 2Cr13 under different processing methods, surface roughness, and surface areas are used, and law curves were built between the dynamic behavior of fixed joints and preload, processing method of contact surface, surface roughness; the correctness of the theory simulation results was confirmed. A spring-damping element joints finite model was built based on the pressure distribution contours. Based on the experimental data, we simulated the model of HT200 specimen by ANSYS, at the same time, compared our model, traditional model, and experimental result, and proved that the spring-damping distribution model based on pressure has a better simulative precision.

  3. Unforeseen properties of MnAs epilayers grown on GaAs semiconductor

    Energy Technology Data Exchange (ETDEWEB)

    Rache Salles, B., E-mail: salles@insp.jussieu.f [Institut des NanoSciences de Paris, INSP, UPMC-Paris 6, CNRS UMR 7588, 140 rue de Lourmel, 75015 Paris (France); Vidal, F.; Etgens, V.H. [Institut des NanoSciences de Paris, INSP, UPMC-Paris 6, CNRS UMR 7588, 140 rue de Lourmel, 75015 Paris (France); Breitwieser, R. [Institut des NanoSciences de Paris, INSP, UPMC-Paris 6, CNRS UMR 7588, 140 rue de Lourmel, 75015 Paris (France); LCPMR, UPMC-Paris 6, CNRS UMR 7614, 11 rue Pierre et Marie Curie, 75005 Paris (France); Marangolo, M.; Eddrief, M. [Institut des NanoSciences de Paris, INSP, UPMC-Paris 6, CNRS UMR 7588, 140 rue de Lourmel, 75015 Paris (France)

    2009-10-01

    This paper reviews some recent works performed on MnAs/GaAs thin films and other related structures grown by molecular beam epitaxy. The impact of epitaxy on the magneto-structural properties of MnAs and possible applications of MnAs epilayers are discussed. A brief account of recent results obtained on the magneto-transport in MnAs/GaAs/MnAs magnetic tunnel junctions is also given, highlighting several appealing and promising properties of this system for spintronics applications.

  4. Key properties of expert movement systems in sport : an ecological dynamics perspective.

    Science.gov (United States)

    Seifert, Ludovic; Button, Chris; Davids, Keith

    2013-03-01

    This paper identifies key properties of expertise in sport predicated on the performer-environment relationship. Weaknesses of traditional approaches to expert performance, which uniquely focus on the performer and the environment separately, are highlighted by an ecological dynamics perspective. Key properties of expert movement systems include 'multi- and meta-stability', 'adaptive variability', 'redundancy', 'degeneracy' and the 'attunement to affordances'. Empirical research on these expert system properties indicates that skill acquisition does not emerge from the internal representation of declarative and procedural knowledge, or the imitation of expert behaviours to linearly reduce a perceived 'gap' separating movements of beginners and a putative expert model. Rather, expert performance corresponds with the ongoing co-adaptation of an individual's behaviours to dynamically changing, interacting constraints, individually perceived and encountered. The functional role of adaptive movement variability is essential to expert performance in many different sports (involving individuals and teams; ball games and outdoor activities; land and aquatic environments). These key properties signify that, in sport performance, although basic movement patterns need to be acquired by developing athletes, there exists no ideal movement template towards which all learners should aspire, since relatively unique functional movement solutions emerge from the interaction of key constraints.

  5. Brightest Cluster Galaxies in the Extended GMRT radio halo cluster sample. Radio properties and cluster dynamics

    CERN Document Server

    Kale, Ruta; Cassano, Rossella; Giacintucci, Simona; Bardelli, sandro; Dallacasa, Daniele; Zucca, Elena

    2015-01-01

    Brightest Cluster Galaxies (BCGs) show exceptional properties over the whole electromagnetic spectrum. Their special location at the centres of galaxy clusters raises the question of the role of the environment on their radio properties. To decouple the effect of the galaxy mass and of the environment in their statistical radio properties, we investigate the possible dependence of the occurrence of radio loudness and of the fractional radio luminosity function on the dynamical state of the hosting cluster. We studied the radio properties of the BCGs in the Extended GMRT Radio Halo Survey (EGRHS). We obtained a statistical sample of 59 BCGs, which was divided into two classes, depending on the dynamical state of the host cluster, i.e. merging (M) and relaxed (R). Among the 59 BCGs, 28 are radio-loud, and 31 are radio--quiet. The radio-loud sources are located favourably located in relaxed clusters (71\\%), while the reverse is true for the radio-quiet BCGs, mostly located in merging systems (81\\%). The fraction...

  6. Force-induced dynamical properties of multiple cytoskeletal filaments are distinct from that of single filaments

    CERN Document Server

    Das, Dipjyoti; Padinhateeri, Ranjith

    2014-01-01

    How cytoskeletal filaments collectively undergo growth and shrinkage is an intriguing question. Collective properties of multiple bio-filaments (actin or microtubules) undergoing hydrolysis, have not been studied extensively earlier, within simple theoretical frameworks. In this paper, we show that collective properties of multiple filaments under force are very distinct from the properties of a single filament under similar conditions -- these distinctions manifest as follows: (i) the collapse time during collective catastrophe for a multifilament system is much larger than that of a single filament with the same average length, (ii) force-dependence of the cap-size distribution of multiple filaments are quantitatively different from that of single filament, (iii) the diffusion constant associated with the system length fluctuations is distinct for multiple filaments, (iv) switching dynamics of multiple filaments between capped and uncapped states and the fluctuations therein are also distinct. We build a un...

  7. The Effect of Boron on the Properties of Glucomannan: An Experimental and Molecular Dynamics Simulation Study

    Institute of Scientific and Technical Information of China (English)

    PANG Jie; SUN Yu-Jing; LI Bin; TIAN Shi-Ping; CHEN Shao-Jun

    2005-01-01

    The effect of boron on the properties of Konjac Glucomanan (KGM) has been investigated by the method of experiment and molecular dynamic simulation. Upon analysis, the property and structure of KGM are apt to be affected by boron and structural reasons for property change were discussed. In detail, the addition low concentration borax can increase the systematic inherent viscosity, by contrast, high concentration borax has opposite effect on the viscosity. When adding borax, the micropores on KGM film surface decrease or disappear, leading to more compact and uniform on the film surface. The structure of KGM-Boron complex is described as the coor- dination reaction between KGM and boron. The main reaction points are hydroxyl group on C(6) position of sugar as well as those on C(2) and C(3) positions of mannose with two kinds of com- plexes formation: B-K2 and KB-K. And KB-K mainly consists of g-b-m.

  8. Mechanical properties of stanene under uniaxial and biaxial loading: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Mojumder, Satyajit [Department of Mechanical Engineering, Bangladesh University of Engineering and Technology, Dhaka 1000 (Bangladesh); Amin, Abdullah Al [Department of Mechanical and Aerospace Engineering, Case western Reverse University, Cleveland, Ohio 44106 (United States); Islam, Md Mahbubul, E-mail: mmi122@psu.edu [Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    2015-09-28

    Stanene, a graphene like two dimensional honeycomb structure of tin has attractive features in electronics application. In this study, we performed molecular dynamics simulations using modified embedded atom method potential to investigate mechanical properties of stanene. We studied the effect of temperature and strain rate on mechanical properties of α-stanene for both uniaxial and biaxial loading conditions. Our study suggests that with the increasing temperature, both the fracture strength and strain of the stanene decrease. Uniaxial loading in zigzag direction shows higher fracture strength and strain compared to the armchair direction, while no noticeable variation in the mechanical properties is observed for biaxial loading. We also found at a higher loading rate, material exhibits higher fracture strength and strain. These results will aid further investigation of stanene as a potential nano-electronics substitute.

  9. Assessment of structural, thermal, and mechanical properties of portlandite through molecular dynamics simulations

    Science.gov (United States)

    Hajilar, Shahin; Shafei, Behrouz

    2016-12-01

    The structural, thermal, and mechanical properties of portlandite, the primary solid phase of ordinary hydrated cement paste, are investigated using the molecular dynamics method. To understand the effects of temperature on the structural properties of portlandite, the coefficients of thermal expansion of portlandite are determined in the current study and validated with what reported from the experimental tests. The atomic structure of portlandite equilibrated at various temperatures is then subjected to uniaxial tensile strains in the three orthogonal directions and the stress-strain curves are developed. Based on the obtained results, the effect of the direction of straining on the mechanical properties of portlandite is investigated in detail. Structural damage analysis is performed to reveal the failure mechanisms in different directions. The energies of the fractured surfaces are calculated in different directions and compared to those of the ideal surfaces available in the literature. The key mechanical properties, including tensile strength, Young's modulus, and fracture strain, are extracted from the stress-strain curves. The sensitivity of the obtained mechanical properties to temperature and strain rate is then explored in a systematic way. This leads to valuable information on how the structural and mechanical properties of portlandite are affected under various exposure conditions and loading rates.

  10. First-principles study of the electronic, optical properties and lattice dynamics of tantalum oxynitride.

    Science.gov (United States)

    Li, Pan; Fan, Weiliu; Li, Yanlu; Sun, Honggang; Cheng, Xiufeng; Zhao, Xian; Jiang, Minhua

    2010-08-01

    First-principles calculations of the electronic, optical properties and lattice dynamics of tantalum oxynitride are performed with the density functional theory plane-wave pseudopotential method. The analysis of the electronic structure shows a covalent nature in Ta-N bonds and Ta-O bonds. The hybridization of anion 2p and Ta 5d states results in enhanced dispersion of the valence band, raising the top of the valence band and leading to the visible-light response in TaON. It has a high dielectric constant, and the anisotropy is displayed obviously in the lower energy region. Our calculation indicated that TaON has excellent dielectric properties along [010] direction. Various optical properties, including the reflectivity, absorption coefficient, refractive index, and the energy-loss spectrum are derived from the complex dielectric function. We also present phonon dispersion relation, zone-center optical mode frequency, density of phonon states, and some thermodynamic properties. The experimental IR modes (B(u) at 808 cm(-1) and A(u) at 863 cm(-1)) are reproduced well and assigned to a combination of stretching and bending vibrations for the Ta-N bond and Ta-O bond. The thermodynamic properties of TaON, such as heat capacity and Debye temperature, which were important parameters for the measurement of crystal physical properties, were first given for reference. Our investigations provide useful information for the potential application of this material.

  11. Network burst dynamics under heterogeneous cholinergic modulation of neural firing properties and heterogeneous synaptic connectivity.

    Science.gov (United States)

    Knudstrup, Scott; Zochowski, Michal; Booth, Victoria

    2016-05-01

    The characteristics of neural network activity depend on intrinsic neural properties and synaptic connectivity in the network. In brain networks, both of these properties are critically affected by the type and levels of neuromodulators present. The expression of many of the most powerful neuromodulators, including acetylcholine (ACh), varies tonically and phasically with behavioural state, leading to dynamic, heterogeneous changes in intrinsic neural properties and synaptic connectivity properties. Namely, ACh significantly alters neural firing properties as measured by the phase response curve in a manner that has been shown to alter the propensity for network synchronization. The aim of this simulation study was to build an understanding of how heterogeneity in cholinergic modulation of neural firing properties and heterogeneity in synaptic connectivity affect the initiation and maintenance of synchronous network bursting in excitatory networks. We show that cells that display different levels of ACh modulation have differential roles in generating network activity: weakly modulated cells are necessary for burst initiation and provide synchronizing drive to the rest of the network, whereas strongly modulated cells provide the overall activity level necessary to sustain burst firing. By applying several quantitative measures of network activity, we further show that the existence of network bursting and its characteristics, such as burst duration and intraburst synchrony, are dependent on the fraction of cell types providing the synaptic connections in the network. These results suggest mechanisms underlying ACh modulation of brain oscillations and the modulation of seizure activity during sleep states.

  12. Nonlinear bifurcations of psychological stress negotiation: new properties of a formal dynamical model.

    Science.gov (United States)

    Levy, Lawrence R; Yao, Weiguang; McGuire, George; Vollick, Dan N; Jette, Jennifer; Shanahan, Matthew J; Hay, James M; Neufeld, Richard W J

    2012-10-01

    Dynamical systems analysis is applied to a nonlinear model of stress and coping (Neufeld, 1999). The model is composed of 6 order parameters and 11 control parameters, and integrates core constructs of the topic domain, including variants of cognitive appraisal, differential stress susceptibility, stress activation, and coping propensity. In part owing to recent advances in Competitive Modes Theory (Yao, Yu & Essex, 2002), previously intractable but substantively significant dynamical properties of the 6-dimensional model are identified. They include stable and unstable fixed-point equilibria (higher-dimensional saddle-node bifurcation), oscillatory patterns attending fixed-point de-stabilization, and chaotic behaviors. Examination of the nature of system fixed-point de-stabilization, in relation to its control parameters, unveils mechanisms of re-stabilization, and dynamic stability control. All identified dynamics emerge naturally from a system whose construction guideposts are lodged in the addressed content domain. Dynamical complexities therefore may be intrinsic to the present content domain, possibly no less so than in other disciplines where the presence of such attributes has been established.

  13. Dynamic compressive properties obtained from a split Hopkinson pressure bar test of Boryeong shale

    Science.gov (United States)

    Kang, Minju; Cho, Jung-Woo; Kim, Yang Gon; Park, Jaeyeong; Jeong, Myeong-Sik; Lee, Sunghak

    2016-09-01

    Dynamic compressive properties of a Boryeong shale were evaluated by using a split Hopkinson pressure bar, and were compared with those of a Hwangdeung granite which is a typical hard rock. The results indicated that the dynamic compressive loading reduced the resistance to fracture. The dynamic compressive strength was lower in the shale than in the granite, and was raised with increasing strain rate by microcracking effect as well as strain rate strengthening effect. Since the number of microcracked fragments increased with increasing strain rate in the shale having laminated weakness planes, the shale showed the better fragmentation performance than the granite at high strain rates. The effect of transversely isotropic plane on compressive strength decreased with increasing strain rate, which was desirable for increasing the fragmentation performance. Thus, the shale can be more reliably applied to industrial areas requiring good fragmentation performance as the striking speed of drilling or hydraulic fracturing machines increased. The present dynamic compressive test effectively evaluated the fragmentation performance as well as compressive strength and strain energy density by controlling the air pressure, and provided an important idea on which rock was more readily fragmented under dynamically processing conditions such as high-speed drilling and blasting.

  14. Properties of low-dimensional collective variables in the molecular dynamics of biopolymers

    Science.gov (United States)

    Meloni, Roberto; Camilloni, Carlo; Tiana, Guido

    2016-11-01

    The description of the dynamics of a complex, high-dimensional system in terms of a low-dimensional set of collective variables Y can be fruitful if the low-dimensional representation satisfies a Langevin equation with drift and diffusion coefficients that depend only on Y . We present a computational scheme to evaluate whether a given collective variable provides a faithful low-dimensional representation of the dynamics of a high-dimensional system. The scheme is based on the framework of a finite-difference Langevin equation, similar to that used for molecular-dynamics simulations. This allows one to calculate the drift and diffusion coefficients in any point of the full-dimensional system. The width of the distribution of drift and diffusion coefficients in an ensemble of microscopic points at the same value of Y indicates to what extent the dynamics of Y is described by a simple Langevin equation. Using a simple protein model, we show that collective variables often used to describe biopolymers display a non-negligible width both in the drift and in the diffusion coefficients. We also show that the associated effective force is compatible with the equilibrium free energy calculated from a microscopic sampling, but it results in markedly different dynamical properties.

  15. Effect of Cement Asphalt Mortar Debonding on Dynamic Properties of CRTS II Slab Ballastless Track

    Directory of Open Access Journals (Sweden)

    Ping Wang

    2014-01-01

    Full Text Available The debonding of cement emulsified asphalt mortar (CA mortar is one of the main damage types in China railway track system II slab ballastless track. In order to analyze the influence of mortar debonding on the dynamic properties of CRTS II slab ballastless track, a vertical coupling vibration model for a vehicle-track-subgrade system was established on the base of wheel/rail coupling dynamics theory. The effects of different debonding lengths on dynamic response of vehicle and track system were analyzed by using the finite element software. The results show that the debonding of CA mortar layer will increase the dynamic response of track. If the length of debonding exceeds 1.95 m, the inflection point will appear on the vertical displacement curve of track. The vertical vibration acceleration of slab increases 4.95 times and the vertical dynamic compressive stress of CA mortar near the debonding region increases 15 times when the debonding length reaches 3.9 m. Considering the durability of ballastless track, once the length of debonding reaches 1.95 m, the mortar debonding should be repaired.

  16. Combination of dynamic transformation and dynamic recrystallization for realizing ultrafine-grained steels with superior mechanical properties

    Science.gov (United States)

    Zhao, Lijia; Park, Nokeun; Tian, Yanzhong; Shibata, Akinobu; Tsuji, Nobuhiro

    2016-12-01

    Dynamic recrystallization (DRX) is an important grain refinement mechanism to fabricate steels with high strength and high ductility (toughness). The conventional DRX mechanism has reached the limitation of refining grains to several microns even though employing high-strain deformation. Here we show a DRX phenomenon occurring in the dynamically transformed (DT) ferrite, by which the required strain for the operation of DRX and the formation of ultrafine grains is significantly reduced. The DRX of DT ferrite shows an unconventional temperature dependence, which suggests an optimal condition for grain refinement. We further show that new strategies for ultra grain refinement can be evoked by combining DT and DRX mechanisms, based on which fully ultrafine microstructures having a mean grain size down to 0.35 microns can be obtained without high-strain deformation and exhibit superior mechanical properties. This study will open the door to achieving optimal grain refinement to nanoscale in a variety of steels requiring no high-strain deformation in practical industrial application.

  17. MAPPING OF RESERVOIR PROPERTIES AND FACIES THROUGH INTEGRATION OF STATIC AND DYNAMIC DATA

    Energy Technology Data Exchange (ETDEWEB)

    Albert C. Reynolds; Dean S. Oliver; Fengjun Zhang; Yannong Dong; Jan Arild Skjervheim; Ning Liu

    2003-01-01

    Knowledge of the distribution of permeability and porosity in a reservoir is necessary for the prediction of future oil production, estimation of the location of bypassed oil, and optimization of reservoir management. But while the volume of data that can potentially provide information on reservoir architecture and fluid distributions has increased enormously in the past decade, it is not yet possible to make use of all the available data in an integrated fashion. While it is relatively easy to generate plausible reservoir models that honor static data such as core, log, and seismic data, it is far more difficult to generate plausible reservoir models that honor dynamic data such as transient pressures, saturations, and flow rates. As a result, the uncertainty in reservoir properties is higher than it could be and reservoir management can not be optimized. The goal of this project is to develop computationally efficient automatic history matching techniques for generating geologically plausible reservoir models which honor both static and dynamic data. Solution of this problem is necessary for the quantification of uncertainty in future reservoir performance predictions and for the optimization of reservoir management. Facies (defined here as regions of relatively uniform petrophysical properties) are common features of all reservoirs. Because the flow properties of the various facies can vary greatly, knowledge of the location of facies boundaries is of utmost importance for the prediction of reservoir performance and for the optimization of reservoir management. When the boundaries between facies are fairly well known, but flow properties are poorly known, the average properties for all facies can be determined using traditional techniques. Traditional history matching honors dynamic data by adjusting petrophysical properties in large areas, but in the process of adjusting the reservoir model ignores the static data and often results in implausible reservoir

  18. Dynamic properties and time response of frameworks with semi-rigid and eccentric connections

    Directory of Open Access Journals (Sweden)

    Gopčević Špiro

    2011-01-01

    Full Text Available The paper is considering effects of the semi-rigid and eccentric joint connections of framework structures upon its dynamic properties and the time response due to an earthquake action. The corresponding numerical method representing the linear structural behavior is developed. Semi-rigid connections at beam ends are presented by the rotational springs at beam's ends, with linear moment-rotation relationship. Eccentricity of joint connections is presented by the corresponding short infinitely rigid links at beam's ends. The effect of semi-rigid and eccentric connections is introduced in the numerical model by the corresponding corrective matrix. The corrective matrix is applied upon the conventional stiffness matrix of the beam element with usual rigid and centric connections. As important dynamic properties, the change of the natural circular frequencies and the natural modes, due to variation of joint rigidity and eccentricity of beam-to-column connections, is analyzed. In the time response structural analysis, considering displacements only, dynamic loading due to an earthquake defined by a given accelerogram is considered. The solution of the differential equations of motion is obtained by direct numerical step-by-step integration using the α method (Hilber-Hughes- Taylor. In order to perform the numerical analysis, all considered numerical models and methods are implemented into the corresponding computer code, called ELAN, which is then used for the parametric analyses presented in the paper.

  19. Modeling and dynamic properties of dual-chamber solid and liquid mixture vibration isolator

    Science.gov (United States)

    Li, F. S.; Chen, Q.; Zhou, J. H.

    2016-07-01

    The dual-chamber solid and liquid mixture (SALiM) vibration isolator, mainly proposed for vibration isolation of heavy machines with low frequency, consists of four principle parts: SALiM working media including elastic elements and incompressible oil, multi-layers bellows container, rigid reservoir and the oil tube connecting the two vessels. The isolation system under study is governed by a two-degrees-of-freedom (2-DOF) nonlinear equation including quadratic damping. Simplifying the nonlinear damping into viscous damping, the equivalent stiffness and damping model is derived from the equation for the response amplitude. Theoretical analysis and numerical simulation reveal that the isolator's stiffness and damping have multiple properties with different parameters, among which the effects of exciting frequency, vibrating amplitude, quadratic damping coefficient and equivalent stiffness of the two chambers on the isolator's dynamics are discussed in depth. Based on the boundary characteristics of stiffness and damping and the main causes for stiffness hardening effect, improvement strategies are proposed to obtain better dynamic properties. At last, experiments were implemented and the test results were generally consistent with the theoretical ones, which verified the reliability of the nonlinear dynamic model.

  20. Transport properties of liquid para-hydrogen: The path integral centroid molecular dynamics approach

    Science.gov (United States)

    Yonetani, Yoshiteru; Kinugawa, Kenichi

    2003-11-01

    Several fundamental transport properties of a quantum liquid para-hydrogen (p-H2) at 17 K have been numerically evaluated by means of the quantum dynamics simulation called the path integral centroid molecular dynamics (CMD). For comparison, classical molecular dynamics (MD) simulations have also been performed under the same condition. In accordance with the previous path integral simulations, the calculated static properties of the liquid agree well with the experimental results. For the diffusion coefficient, thermal conductivity, and shear viscosity, the CMD predicts the values closer to the experimental ones though the classical MD results are far from the reality. The agreement of the CMD result with the experimental one is especially good for the shear viscosity with the difference less than 5%. The calculated diffusion coefficient and the thermal conductivity agree with the experimental values at least in the same order. We predict that the ratio of bulk viscosity to shear viscosity for liquid p-H2 is much larger than classical van der Waals simple liquids such as rare gas liquids.

  1. Dynamics of coarsening in multicomponent lipid vesicles with non-uniform mechanical properties

    Science.gov (United States)

    Funkhouser, Chloe M.; Solis, Francisco J.; Thornton, K.

    2014-04-01

    Multicomponent lipid vesicles are commonly used as a model system for the complex plasma membrane. One phenomenon that is studied using such model systems is phase separation. Vesicles composed of simple lipid mixtures can phase-separate into liquid-ordered and liquid-disordered phases, and since these phases can have different mechanical properties, this separation can lead to changes in the shape of the vesicle. In this work, we investigate the dynamics of phase separation in multicomponent lipid vesicles, using a model that couples composition to mechanical properties such as bending rigidity and spontaneous curvature. The model allows the vesicle surface to deform while conserving surface area and composition. For vesicles initialized as spheres, we study the effects of phase fraction and spontaneous curvature. We additionally initialize two systems with elongated, spheroidal shapes. Dynamic behavior is contrasted in systems where only one phase has a spontaneous curvature similar to the overall vesicle surface curvature and systems where the spontaneous curvatures of both phases are similar to the overall curvature. The bending energy contribution is typically found to slow the dynamics by stabilizing configurations with multiple domains. Such multiple-domain configurations are found more often in vesicles with spheroidal shapes than in nearly spherical vesicles.

  2. Impact of a Reducing Agent on the Dynamic Surface Properties of Lysozyme Solutions.

    Science.gov (United States)

    Tihonov, Michael M; Kim, Viktoria V; Noskov, Boris A

    2016-05-01

    Disulfide bond shuffling in the presence of the reducing agents dithiothreitol (DTT) or β-mercaptoethanol (BME) strongly affects the surface properties of lysozyme solutions. The addition of 0.32 mM DTT substantially alters the kinetic dependencies of the dynamic surface elasticity and surface tension relative to those of pure protein solutions. The significant increase in the dynamic surface elasticity likely relates to the cross-linking between lysozyme molecules and the formation of a dense layer of protein globules stabilized by intermolecular disulfide bonds at the liquid/gas interface. This effect differs from the previously described influence of chaotropic denaturants, such as guanidine hydrochloride (GuHCl) and urea, on the surface properties of lysozyme solutions. If both chaotropic and reducing agents are added to protein solutions simultaneously, their effects become superimposed. In the case of mixed lysozyme/GuHCl/DTT solutions, the dynamic surface elasticity near equilibrium decreases as the GuHCl concentration increases because of the gradual loosening of the cross-linked layer of protein globules but remains much higher than that of lysozyme/GuHCl solutions.

  3. STUDY OF DYNAMIC MECHANICAL PROPERTIES OF FUSED DEPOSITION MODELLING PROCESSED ULTEM MATERIAL

    Directory of Open Access Journals (Sweden)

    Adhiyamaan Arivazhagan

    2014-01-01

    Full Text Available Fused Deposition Modelling (FDM, a renowned Rapid Prototyping (RP process, has been successfully implemented in several industries to fabricate concept models and prototypes for rapid manufacturing. This study furnishes terse notes about the material damping properties of FDM made ULTEM samples considering the effect of FDM process parameters. Dynamic Mechanical Analysis (DMA is carried out using DMA 2980 equipment to study the dynamic response of the FDM material subjected to single cantilever loading under periodic stress. Three FDM process parameters namely Build Style, Raster Width and Raster Angle were contemplated. ULTEM parts are fabricated using solid normal build style and three values each of raster width and raster angle. DMA is performed with temperature sweep at three different fixed frequencies of 1, 50 and 100 Hz. Results were obtained for dynamic properties such as Maximum Storage Modulus, Maximum Loss Modulus, Maximum Tan Delta and Maximum Complex Viscosity. The present work discusses the effect of increasing the frequencies and temperature on FDM made ULTEM samples using different FDM process parameters.

  4. A new method to identify dynamic transduction properties of aortic baroreceptors.

    Science.gov (United States)

    Sugimachi, M; Imaizumi, T; Sunagawa, K; Hirooka, Y; Todaka, K; Takeshita, A; Nakamura, M

    1990-03-01

    We identified, in 17 alpha-chloralose-anesthetized rabbits, the dynamic transduction characteristics of the aortic arch baroreceptors using a "white-noise technique." We recorded aortic pressure and aortic depressor nerve activity while perturbing pressure by rapid, intermittent ventricular pacing (400 beats/min). Dividing the cross-power spectrum between nerve activity and pressure by the power spectrum of pressure yielded the transfer function. The gain of the transfer function increased threefold as the frequency increased from 0.005 to 5 Hz, suggesting that the baroreceptors responded primarily to dynamic rather than to static changes in pressure. To quantify the nonlinear properties of baroreceptor transduction, we compared measured instantaneous nerve activity with that linearly predicted. We demonstrated that the major nonlinearity was attributable to "threshold". The overall baroreceptor transduction properties could be represented by a cascade connection of a linear subsystem followed by a nonlinear subsystem with threshold. The white-noise technique made it possible to identify the unbiased linear properties in a nonlinear system, and thus was very useful in identifying complex biological systems.

  5. Effect of temperature, pressure, and cosolvents on structural and dynamic properties of the hydration shell of SNase: a molecular dynamics computer simulation study.

    Science.gov (United States)

    Smolin, Nikolai; Winter, Roland

    2008-01-24

    It is now generally agreed that the hydration water and solvational properties play a crucial role in determining the dynamics and hence the functionality of proteins. We present molecular dynamics computer simulation studies on staphylococcal nuclease (SNase) at various temperatures and pressures as well as in different cosolvent solutions containing various concentrations of urea and glycerol. The aim is to provide a molecular level understanding of how different types of cosolvents (chaotropic and kosmotropic) as well as temperature and high hydrostatic pressure modify the structure and dynamics of the hydration water. Taken together, these three intrinsic thermodynamic variables, temperature, pressure, and chemical potential (or activity) of the solvent, are able to influence the stability and function of the protein by protein-solvent dynamic coupling in different ways. A detailed analysis of the structural and dynamical properties of the water and cosolvents at the protein surface (density profile, coordination numbers, hydrogen-bond distribution, average H-bond lifetimes (water-protein and water-water), and average residence time of water in the hydration shell) was carried out, and differences in the structural and dynamical properties of the hydration water in the presence of the different cosolvents and at temperatures between 300 and 400 K and pressures up to 5000 bar are discussed. Furthermore, the results obtained help understand various thermodynamic properties measured for the protein.

  6. Differential flatness properties and multivariable adaptive control of ovarian system dynamics

    Science.gov (United States)

    Rigatos, Gerasimos

    2016-12-01

    The ovarian system exhibits nonlinear dynamics which is modeled by a set of coupled nonlinear differential equations. The paper proposes adaptive fuzzy control based on differential flatness theory for the complex dynamics of the ovarian system. It is proven that the dynamic model of the ovarian system, having as state variables the LH and the FSH hormones and their derivatives, is a differentially flat one. This means that all its state variables and its control inputs can be described as differential functions of the flat output. By exploiting differential flatness properties the system's dynamic model is written in the multivariable linear canonical (Brunovsky) form, for which the design of a state feedback controller becomes possible. After this transformation, the new control inputs of the system contain unknown nonlinear parts, which are identified with the use of neurofuzzy approximators. The learning procedure for these estimators is determined by the requirement the first derivative of the closed-loop's Lyapunov function to be a negative one. Moreover, Lyapunov stability analysis shows that H-infinity tracking performance is succeeded for the feedback control loop and this assures improved robustness to the aforementioned model uncertainty as well as to external perturbations. The efficiency of the proposed adaptive fuzzy control scheme is confirmed through simulation experiments.

  7. Anisotropy of Dynamic Compressive Properties of Non-Heat-Treating Cold-Heading-Quality Steel Bars

    Science.gov (United States)

    Kim, Hyunmin; Kang, Minju; Bae, Chul Min; Kim, Hyoung Seop; Lee, Sunghak

    2014-01-01

    In the current study, a non-heat-treating cold-heading-quality steel bar was fabricated by cold drawing of a rolled bar, and anisotropic mechanical properties of the as-rolled and cold-drawn bars were investigated by quasistatic and dynamic compressive tests of 0 deg (longitudinal)-, 45 deg-, and 90 deg (transverse)-orientation specimens. Under the dynamic compressive loading, the trend of strength variation was similar to that of the quasistatic compressive loading, while the strength level was considerably increased by the strain rate hardening effect. Stress-strain curves of the cold-drawn bar specimens showed the nearly same strain hardening behavior, irrespective of specimen orientation and strain rate, but the yield stress and compressive flow stress increased in the order of the 0 deg-, 90 deg-, and 45 deg-orientation specimens. In the 45 deg- and 90 deg-orientation specimens, the pearlite bands had the stronger resistance to the stress acting on the maximum shear stress plane than in the 0 deg-orientation specimens, thereby resulting in the higher strengths. In some dynamically compressed specimens, pearlite bands were dissolved to form bainitic microstructures. Locations of these bainitic microstructures were well matched with hemispherical-shaped heat-trap zones, which confirmed that bainitic microstructures were formed by the temperature rise occurring during the dynamic compressive loading.

  8. Dynamical properties of alcohol + 1-hexyl-3-methylimidazolium ionic liquid mixtures: a computer simulation study.

    Science.gov (United States)

    Méndez-Morales, Trinidad; Carrete, Jesús; García, Manuel; Cabeza, Oscar; Gallego, Luis J; Varela, Luis M

    2011-12-29

    In this work, extensive molecular dynamics simulations of the dynamics of mixtures of ionic liquids (ILs) composed of the cation 1-hexyl-3-methylimidazolium and several anions of different hydrophobicity degrees (Cl(-), BF(4)(-), PF(6)(-)) with alcohols of different chain lengths (methanol and ethanol) are reported. We evaluated the influence of the nature of the anion, the length of the molecular chain of the alcohol, and the alcohol concentration on some dynamical properties of the mixtures, such as self-diffusion coefficients of all the species, mean square displacements (with an analysis of both ballistic and diffusive regimes), and velocity autocorrelation functions of alcohol molecules. The diffusivity of the mixtures was found to be highly dependent on the nature of the anion since the interaction between chloride and alcohols is greater than that with fluorinated anions and leads to slower dynamics. Additionally, our results show that self-diffusion coefficients increase with alcohol concentration. On the other hand, a subdiffusive regime over thousands of picoseconds was detected at intermediate times through analysis of the center-of-mass mean square displacements of alcohol molecules, a region that becomes narrower as alcohol concentration increases. Finally, the study of the role of the anion and of solvent concentration on velocity autocorrelation functions reflects an increase in mean collision times as the amount of alcohol increases until the value of pure alcohols is reached. These collision times are smaller in mixtures with halogenated ILs. © 2011 American Chemical Society

  9. Zero-bias-field microwave dynamic magnetic properties in trapezoidal ferromagnetic stripe

    Science.gov (United States)

    Bi, Mei; Wang, Xin; Lu, Haipeng; Zhang, Li; Deng, Longjiang; Xie, Jianliang

    2016-06-01

    Dynamic magnetization response of the axially magnetized ferromagnetic stripe with trapezoidal cross section has been studied. The stripe with beveled edges exhibits multiple resonant peaks modes under an in-plane microwave excitation compared with the single resonant of vertical edge surfaces. The complexity of the observed response is attributed to the spatially nonuniform equilibrium spin distribution at the stripe edges. Micromagnetic simulations identify spin waves as spatially localized mode at the modified edges. This one is also described by effective pinning boundary conditions taking into account finite-size effects, which is related to the exchange interaction, surface anisotropy and dipole-dipole interaction. These results provide detailed insights into the nonlinear spin dynamics of microstructures influenced by the edge properties.

  10. Chaotic dynamics of size dependent Timoshenko beams with functionally graded properties along their thickness

    Science.gov (United States)

    Awrejcewicz, J.; Krysko, A. V.; Pavlov, S. P.; Zhigalov, M. V.; Krysko, V. A.

    2017-09-01

    Chaotic dynamics of microbeams made of functionally graded materials (FGMs) is investigated in this paper based on the modified couple stress theory and von Kármán geometric nonlinearity. We assume that the beam properties are graded along the thickness direction. The influence of size-dependent and functionally graded coefficients on the vibration characteristics, scenarios of transition from regular to chaotic vibrations as well as a series of static problems with an emphasis put on the load-deflection behavior are studied. Our theoretical/numerical analysis is supported by methods of nonlinear dynamics and the qualitative theory of differential equations supplemented by Fourier and wavelet spectra, phase portraits, and Lyapunov exponents spectra estimated by different algorithms, including Wolf's, Rosenstein's, Kantz's, and neural networks. We have also detected and numerically validated a general scenario governing transition into chaotic vibrations, which follows the classical Ruelle-Takens-Newhouse scenario for the considered values of the size-dependent and grading parameters.

  11. Structural and dynamic properties of LiNO3 + Al2O3 nanocomposites

    Science.gov (United States)

    Gafurov, M. M.; Rabadanov, K. Sh.; Ataev, M. B.; Amirov, A. M.; Kubataev, Z. Yu.; Kakagasanov, M. G.

    2015-10-01

    The structural and dynamic properties of lithium nitrate LiNO3 and its heterogeneous composites with a nanopowder of aluminum oxide Al2O3 at different temperatures, phase states, and concentrations of the Al2O3 nanopowder have been investigated using Raman scattering, differential thermal analysis, and X-ray diffraction. It has been shown that, in the (1- x)LiNO3 + xAl2O3 composites, an amorphous phase (for x ≥ 0.5) is formed, whose thermal effect is observed at 185°C. The calculations of the dynamic characteristics of vibrations of the nitrate ion, as well as the differential thermal and X-ray diffraction analyses, have demonstrated that the nanocomposite can be represented as a highly disordered "quasilattice" in which "sites" are occupied by nanoparticles with amorphous lithium nitrate shells and spaces between them (conventionally "interstitial sites") become channels of a facilitated flow of the ion current.

  12. INVESTIGATION OF STRUCTURE AND PROPERTIES FOR POLYMER SYSTEMS BASED ON DYNAMIC RHEOLOGICAL APPROACHES

    Institute of Scientific and Technical Information of China (English)

    Qiang Zheng; Min Zuo

    2005-01-01

    The dynamic rheological measurements have been a preferred approach to the characterization of the structure and properties for multi-component or multi-phase polymer systems, due to its sensitive response to changes of structure for these heterogeneous polymers. In the present article, recent progresses in the studies on dynamic theology for heterogeneous polymer systems including polymeric composites filled with inorganic particles, thermo-oxidized polyolefins, phaseseparated polymeric blends and functional polymers with the scaling and percolation behavior are reviewed, mainly depending on the results by the authors' group. By means of rheological measurements, not only some new fingerprints responsible for the evolution of morphology and structure concerning these polymer systems are obtained, the corresponding results are also significant for the design and preparation of novel polymer-based composites and functional materials.

  13. Dynamical and elastic properties of MgSiO3 perovskite (bridgmanite)

    Science.gov (United States)

    Wehinger, Björn; Bosak, Alexeï; Nazzareni, Sabrina; Antonangeli, Daniele; Mirone, Alessandro; Chaplot, Samrath Lal; Mittal, Ranjan; Ohtani, Eiji; Shatskiy, Anton; Saxena, Surendra; Ghose, Subrata; Krisch, Michael

    2016-03-01

    We report on the lattice dynamics of MgSiO3 perovskite (bridgmanite). Phonon spectroscopy was performed employing inelastic X-ray scattering from single crystals, and the results were confronted to ab initio calculations. We observe a remarkable agreement between experiment and theory, and provide accurate results for phonon dispersion relations, the vibrational density of states, and the full elasticity tensor. The present work constitutes an important milestone fully validating the lattice dynamics calculation against precise experimental evidence and marks a starting point to extend this kind of combined studies to the high-pressure and high-temperature conditions directly relevant for the physical properties and chemical composition of Earth's lower mantle.

  14. Dynamic Properties of the Painter Street Overpass at Different Levels of Vibration

    DEFF Research Database (Denmark)

    Ventura, C. E.; Brincker, Rune; Andersen, P.

    2005-01-01

    in California. Strong motion instruments were installed on the bridge in 1977, and since then it has recorded the motions from more than ten significant earthquakes. Because of the valuable amount of strong motion data available, the aim of the ambient vibration tests was to determine the dynamic...... from analyses of selected strong motion records. The magnitude of the events investigated ranges from ML=4.4 to ML=6.9, which produced accelerations of up to 0.54g at the free field site, 1.3g at the abutments, and 0.86g on the deck. The results of this study indicate that the overall dynamic...... properties of the bridge are very sensitive to the level of ground shaking and that soil-structure interaction is very important for this type structural system. Although the superstructure exhibited a nearly elastic response, the motions at the abutments and base of piers were significantly different...

  15. Rare gas-benzene-rare gas interactions: structural properties and dynamic behavior.

    Science.gov (United States)

    Albertí, Margarita

    2010-02-18

    In the present work, some static and dynamic properties of trimers containing one benzene molecule and two rare gas atoms are investigated. These trimers can be formed in two different configurations, one in which the two rare gas atoms are placed in opposite sides of the benzene plane, (1|1), and the other in which the two atoms are placed on the same side, (2|0). The (1|1) configuration is more stable than the (2|0), and both minima are connected by small energy barriers. Accordingly, molecular dynamics simulations show frequent (2|0) (1|1) interconversions, even at low temperatures. The time spent in each configuration has been related to the abundance of isomers. It has been found that at temperatures just below the dissociation, when interconversions are quite frequent, the relative abundance of (2|0) is always higher than that of (1|1), independently of the nature of the two rare gases.

  16. Mechanics and dynamics of triglyceride-phospholipid model membranes: Implications for cellular properties and function.

    Science.gov (United States)

    Pakkanen, Kirsi I; Duelund, Lars; Qvortrup, Klaus; Pedersen, Jan S; Ipsen, John H

    2011-08-01

    We demonstrate here that triolein alters the mechanical properties of phospholipid membranes and induces extraordinary conformational dynamics. Triolein containing membranes exhibit fluctuations up to size range of 100μm and with the help of these are e.g. able to squeeze through narrow passages between neighbouring structures. Triolein-phosphatidylcholine membranes were found to have bending rigidity significantly lower than that of corresponding pure phosphatidylcholine membrane. Moreover, the triolein containing membranes were found to be reluctant to fuse, which is in good accordance with larger lamellar distances observed in the TOPOPC membranes. These findings suggest repulsion between adjacent membranes. We provide a comprehensive discussion on the possible explanations for the observed mechanics and dynamics in the TOPOPC system and on their potential cellular implications. Copyright © 2011 Elsevier B.V. All rights reserved.

  17. Liquid but Durable: Molecular Dynamics Simulations Explain the Unique Properties of Archaeal-Like Membranes

    Science.gov (United States)

    Chugunov, Anton O.; Volynsky, Pavel E.; Krylov, Nikolay A.; Boldyrev, Ivan A.; Efremov, Roman G.

    2014-12-01

    Archaeal plasma membranes appear to be extremely durable and almost impermeable to water and ions, in contrast to the membranes of Bacteria and Eucaryota. Additionally, they remain liquid within a temperature range of 0-100°C. These are the properties that have most likely determined the evolutionary fate of Archaea, and it may be possible for bionanotechnology to adopt these from nature. In this work, we use molecular dynamics simulations to assess at the atomistic level the structure and dynamics of a series of model archaeal membranes with lipids that have tetraether chemical nature and ``branched'' hydrophobic tails. We conclude that the branched structure defines dense packing and low water permeability of archaeal-like membranes, while at the same time ensuring a liquid-crystalline state, which is vital for living cells. This makes tetraether lipid systems promising in bionanotechnology and material science, namely for design of new and unique membrane nanosystems.

  18. Dynamical properties and tumor clearance conditions for a nine-dimensional model of bladder cancer immunotherapy.

    Science.gov (United States)

    Starkov, K E; Bunimovich-Mendrazitsky, Svetlana

    2016-10-01

    Understanding the global interaction dynamics between tumor and the immune system plays a key role in the advancement of cancer therapy. Bunimovich-Mendrazitsky et al. (2015) developed a mathematical model for the study of the immune system response to combined therapy for bladder cancer with Bacillus Calmette-Guérin (BCG) and interleukin-2 (IL-2) . We utilized a mathematical approach for bladder cancer treatment model for derivation of ultimate upper and lower bounds and proving dissipativity property in the sense of Levinson. Furthermore, tumor clearance conditions for BCG treatment of bladder cancer are presented. Our method is based on localization of compact invariant sets and may be exploited for a prediction of the cells populations dynamics involved into the model.

  19. Rolling Resistance and Mechanical Properties of Grinded Copper Surfaces Using Molecular Dynamics Simulation

    Science.gov (United States)

    Liang, Shih-Wei; Wang, Chih-Hao; Fang, Te-Hua

    2016-09-01

    Mechanical properties of copper (Cu) film under grinding process were accomplished by molecular dynamics simulation. A numerical calculation was carried out to understand the distributions of atomic and slip vector inside the Cu films. In this study, the roller rotation velocity, temperature, and roller rotation direction change are investigated to clarify their effect on the deformation mechanism. The simulation results showed that the destruction of materials was increased proportionally to the roller rotation velocity. The machining process at higher temperature results in larger kinetic energy of atoms than lower temperature during the grinding process of the Cu films. The result also shows that the roller rotation in the counterclockwise direction had the better stability than the roller rotation in the clockwise direction due to significantly increased backfill atoms in the groove of the Cu film surface. Additionally, the effects of the rolling resistances on the Cu film surfaces during the grinding process are studied by the molecular dynamics simulation method.

  20. Rolling Resistance and Mechanical Properties of Grinded Copper Surfaces Using Molecular Dynamics Simulation.

    Science.gov (United States)

    Liang, Shih-Wei; Wang, Chih-Hao; Fang, Te-Hua

    2016-12-01

    Mechanical properties of copper (Cu) film under grinding process were accomplished by molecular dynamics simulation. A numerical calculation was carried out to understand the distributions of atomic and slip vector inside the Cu films. In this study, the roller rotation velocity, temperature, and roller rotation direction change are investigated to clarify their effect on the deformation mechanism. The simulation results showed that the destruction of materials was increased proportionally to the roller rotation velocity. The machining process at higher temperature results in larger kinetic energy of atoms than lower temperature during the grinding process of the Cu films. The result also shows that the roller rotation in the counterclockwise direction had the better stability than the roller rotation in the clockwise direction due to significantly increased backfill atoms in the groove of the Cu film surface. Additionally, the effects of the rolling resistances on the Cu film surfaces during the grinding process are studied by the molecular dynamics simulation method.

  1. Dynamic fracture toughness and Charpy impact properties of an AISI 403 martensitic stainless steel

    Science.gov (United States)

    Sreenivasan, P. R.; Ray, S. K.; Mannan, S. L.; Rodriguez, P.

    1996-04-01

    Dynamic fracture toughness and Charpy impact properties of a normalised and tempered AISI 403 martensitic stainless steel obtained from instrumented impact tests are presented. Procedures for estimating dynamic fracture toughness ( KId) from the load-time traces obtained in instrumented tests of unprecracked Charpy V-notch (CVN) specimens are considered. The estimated KId values show reasonable agreement with those obtained from instrumented drop-weight and precracked Charpy tests. Also, except in the upper transition and uppershelf regions, the ASME KIR curve is generally conservative (i.e. gives lower KId values) when compared to the above KId estimates. The conservatism of the ASME KIR at the upper transition and uppershelf temperatures needs verification/validation. The lowest KId values estimated at the lower shelf temperatures for the above steel, namely, 33-42 MPa√m are in good agreement with the reported values of 35-50 MPa√m for the same steel in the literature.

  2. Mechanical Properties and Fractographic Analysis of High Manganese Steels After Dynamic Deformation Tests

    Directory of Open Access Journals (Sweden)

    Jabłońska M.B.

    2014-10-01

    Full Text Available Since few years many research centres conducting research on the development of high-manganese steels for manufacturing of parts for automotive and railway industry. Some of these steels belong to the group of AHS possessing together with high strength a great plastic elongation, and an ideal uniform work hardening behavior. The article presents the dynamic mechanical properties of two types of high manganese austenitic steel with using a flywheel machine at room temperature with strain rates between 5×102÷3.5×103s?–1. It was found that the both studied steels exhibit a high sensitivity Rm to the strain rate. With increasing the strain rate from 5×102 to 3.5×103s?–1 the hardening dominates the process. The fracture analysis indicate that after dynamic test both steel is characterized by ductile fracture surfaces which indicate good plasticity of investigated steels.

  3. Polymer nanocomposite hydrogels exhibiting both dynamic restructuring and unusual adhesive properties.

    Science.gov (United States)

    Wang, Mian; Yuan, Du; Fan, Xiaoshan; Sahoo, Nanda Gopal; He, Chaobin

    2013-06-11

    Polymer nanocomposite (NC) hydrogels exhibiting both dynamic restructuring and unusual adhesive properties in wet and dry states have been prepared in an efficient and straightforward way via free radical polymerization of poly(ethylene glycol) methyl ether acrylate (PEG) in the presence of silane-modified sodium montmorillonite (NaMMT). The dynamic restructuring of the NC gel has been demonstrated by almost instant recovery of mechanical properties, such as storage modulus, loss modulus, and damping tan δ (at 0.025 strain) by 60-110% after being stressed to the point of gel failure. Furthermore, the dry NC gel showed exceptional thermal and mechanical stability during a heating and cooling cycle between 25 and 110 °C, with only slightly decreases followed by at least 30% increases in both moduli, while tan δ remained nearly unchanged. The NC gel in dry state could repeatedly adhere to various surfaces such as steel, glass, plastic, etc., and detach from the surface without being broken and leaving little contamination behind. This unique adhesive characteristic was characterized by high storage modulus, loss modulus (kPa), and tan δ (>0.6) corresponding to high cohesive, adhesive, and tacking properties of pressure-sensitive adhesives (PSAs). Finally, a reversible network structure formed by PEO interpenetrating within 3-dimentional (3-D) silica network was proposed to be responsible for the dynamic restructuring and the unique adhesive behaviors observed in the NC gel, and the 3-D network structure was investigated by XRD, FTIR, and DSC measurements. For this 3-D network structure, we suggest that the flexibility of PEO could allow PEO side chains to contact with various surfaces by either PEO segments or methoxy end groups via weak physical interactions, such as van der Waals interactions or hydrogen bonding, whereas the reversible network structure contributes to the recovery of strength and shape after the gel failure.

  4. Dynamical and stationary properties of on-line learning from finite training sets

    Science.gov (United States)

    Luo, Peixun; Michael Wong, K. Y.

    2003-01-01

    The dynamical and stationary properties of on-line learning from finite training sets are analyzed by using the cavity method. For large input dimensions, we derive equations for the macroscopic parameters, namely, the student-teacher correlation, the student-student autocorrelation and the learning force fluctuation. This enables us to provide analytical solutions to Adaline learning as a benchmark. Theoretical predictions of training errors in transient and stationary states are obtained by a Monte Carlo sampling procedure. Generalization and training errors are found to agree with simulations. The physical origin of the critical learning rate is presented. Comparison with batch learning is discussed throughout the paper.

  5. Operational Modal Analysis for Estimating the Dynamic Properties of a Stadium Structure during a Football Game

    Directory of Open Access Journals (Sweden)

    Bart Peeters

    2007-01-01

    Full Text Available During a football game, the ambient vibrations at the roof of a football stadium were recorded. A very large data set consisting of 4 hours of data, sampled at 80 Hz, is available. By a data reduction procedure, the complete data set could be analysed at once in a very short time. The data set was also split in shorter segments corresponding to certain events before, during and after the game to investigate the influence of varying operational conditions on the dynamic properties.

  6. Properties of hadron and quark matter studied with a molecular dynamics

    CERN Document Server

    Akimura, Y; Yoshinaga, N; Chiba, S

    2005-01-01

    We study the hadron-quark phase transition in a molecular dynamics (MD) of quark degrees of freedom. The hadron state at low density and temperature, and the deconfined quark state at high density and temperature are observed in our model. We investigate the equations of state and draw the phase-diagram at wide baryon density and temperature range. We also discuss the transport property, e.g. viscosity, of $q\\bar{q}$ matter. It is found that the ratio of the shear viscosity to the entropy density is less than one for quark matter.

  7. Static and dynamic properties of three-dimensional dot-type magnonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Maksymov, Artur, E-mail: maxyartur@gmail.com [Advanced Materials Research Institute, University of New Orleans, LA 70148 (United States); Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Spinu, Leonard [Advanced Materials Research Institute, University of New Orleans, LA 70148 (United States); Department of Physics, University of New Orleans, New Orleans, LA 70148 (United States)

    2016-04-01

    The static and dynamic magnetization of three-dimensional magnonic metamaterials has been investigated. By numerical means it was analyzed the impact of space dimensionality on the properties of magnonic crystal with unit cell consisting of four dots. It is find out the possibility of multi-vortex core formation which is related to the increasing of the crystal height by three-dimensional periodicity of single crystal layer. Additionally is provided the analysis of ferromagnetic resonance phenomenon for two-dimensional and three-dimensional structures. For the unsaturated magnetization of three-dimensional crystal the several pronounced resonance frequencies were detected.

  8. Dynamical properties of background neural networks with uniform firing rate and background input

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Lei [Computational Intelligence Laboratory, School of Computer Science and Engineering, University of Electronic Science and Technology of China, Chengdu 610054 (China); Yi Zhang [Computational Intelligence Laboratory, School of Computer Science and Engineering, University of Electronic Science and Technology of China, Chengdu 610054 (China)]. E-mail: zhangyi@uestc.edu.cn

    2007-08-15

    In this paper, the dynamic properties of the background neural networks with the uniform firing rate and background input is investigated with a series of mathematical arguments including nondivergence, global attractivity and complete stability analysis. Moreover, it shows that shifting the background level affects the existence and stability of the equilibrium point. Depending on the increase or decrease in background input, the network can engender bifurcation and chaos. It may be have one or two different stable firing levels. That means the background neural network can exhibit not only monostability but also multistability.

  9. Scattering properties of gas molecules on self-assembled monolayers using molecular dynamics simulation

    Science.gov (United States)

    Takeuchi, Hideki

    2016-11-01

    The scattering properties of argon gas molecules on the SAM (self-assembled monolayer) surface which consists of 1-propanethiol molecules chemically adsorbed on a gold surface have been investigated by using the molecular dynamics method. The trapping probability, the angular distribution and the angular scattering distribution for the gas molecule have been obtained for various incident energies and angles. It is shown that the trapping probability decreases with increasing the incident energy. The angular distribution for small incident angle is almost close to the cosine distribution. In addition, the partial accommodation coefficients of tangential momentum and energy for gas molecules are discussed.

  10. Controlling steady-state and dynamical properties of atomic optical bistability

    CERN Document Server

    Joshi, Amitabh

    2012-01-01

    This book provides a comprehensive introduction to the theoretical and experimental studies of atomic optical bistability and multistability, and their dynamical properties in systems with two- and three-level inhomogeneously-broadened atoms inside an optical cavity. By making use of the modified linear absorption and dispersion, as well as the greatly enhanced nonlinearity in the three-level electromagnetically induced transparency system, the optical bistablity and efficient all-optical switching can be achieved at relatively low laser powers, which can be well controlled and manipulated. Un

  11. Metal cluster structures and properties from Born-Oppenheimer molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Calaminici, Patrizia, E-mail: pcalamin@cinvestav.mx; Köster, Andreas M., E-mail: pcalamin@cinvestav.mx; Vásquez-Pérez, José Manuel, E-mail: pcalamin@cinvestav.mx; Martínez, Gabriel Ulises Gamboa, E-mail: pcalamin@cinvestav.mx [Departamento de Química, CINVESTAV, Av. Instituto Politécnico Nacional 2508, A.P. 14-740, México D.F. 07000 (Mexico)

    2015-01-22

    Density functional theory (DFT) Born-Oppenheimer molecular dynamics (BOMD) simulations of metal clusters are presented. The calculations have been performed with the deMon2k [1] code employing all-electron basis sets and local and non-local functionals. The capability to perform reasonable long (∼ 100 ps) first-principle BOMD simulations in order to explore potential energy landscape of metallic clusters will be presented [2,3]. The evolution of the cluster structures and properties, such as polarizability and heat capacity, with temperature is discussed.

  12. Brightest cluster galaxies in the extended GMRT radio halo cluster sample. Radio properties and cluster dynamics

    Science.gov (United States)

    Kale, R.; Venturi, T.; Cassano, R.; Giacintucci, S.; Bardelli, S.; Dallacasa, D.; Zucca, E.

    2015-09-01

    Aims: First-ranked galaxies in clusters, usually referred to as brightest cluster galaxies (BCGs), show exceptional properties over the whole electromagnetic spectrum. They are the most massive elliptical galaxies and show the highest probability to be radio loud. Moreover, their special location at the centres of galaxy clusters raises the question of the role of the environment in shaping their radio properties. In the attempt to separate the effect of the galaxy mass and of the environment on their statistical radio properties, we investigate the possible dependence of the occurrence of radio loudness and of the fractional radio luminosity function on the dynamical state of the hosting cluster. Methods: We studied the radio properties of the BCGs in the Extended GMRT Radio Halo Survey (EGRHS), which consists of 65 clusters in the redshift range 0.2-0.4, with X-ray luminosity LX ≥ 5 × 1044 erg s-1, and quantitative information on their dynamical state from high-quality Chandra imaging. We obtained a statistical sample of 59 BCGs, which we divided into two classes, depending on whether the dynamical state of the host cluster was merging (M) or relaxed (R). Results: Of the 59 BCGs, 28 are radio loud and 31 are radio quiet. The radio-loud sources are favourably located in relaxed clusters (71%), while the reverse is true for the radio-quiet BCGs, which are mostly located in merging systems (81%). The fractional radio luminosity function for the BCGs in merging and relaxed clusters is different, and it is considerably higher for BCGs in relaxed clusters, where the total fraction of radio loudness reaches almost 90%, to be compared to the ~30% in merging clusters. For relaxed clusters, we found a positive correlation between the radio power of the BCGs and the strength of the cool core, consistent with previous studies on local samples. Conclusions: Our study suggests that the radio loudness of the BCGs strongly depends on the cluster dynamics; their fraction is

  13. Estimation of dynamic properties of attractors observed in hollow copper electrode atmospheric pressure arc plasma system

    Indian Academy of Sciences (India)

    S Ghorul; S N Sahasrabudhe; P S S Murthy; A K Das; N Venkatramani

    2002-07-01

    Understanding of the basic nature of arc root fluctuation is still one of the unsolved problems in thermal arc plasma physics. It has direct impact on myriads of thermal plasma applications being implemented at present. Recently, chaotic nature of arc root behavior has been reported through the analysis of voltages, acoustic and optical signals which are generated from a hollow copper electrode arc plasma torch. In this paper we present details of computations involved in the estimation process of various dynamic properties and show how they reflect chaotic behavior of arc root in the system.

  14. Dynamical properties of the growing continuum using multiple-scale method

    Directory of Open Access Journals (Sweden)

    Hynčík L.

    2008-12-01

    Full Text Available The theory of growth and remodeling is applied to the 1D continuum. This can be mentioned e.g. as a model of the muscle fibre or piezo-electric stack. Hyperelastic material described by free energy potential suggested by Fung is used whereas the change of stiffness is taken into account. Corresponding equations define the dynamical system with two degrees of freedom. Its stability and the properties of bifurcations are studied using multiple-scale method. There are shown the conditions under which the degenerated Hopf's bifurcation is occuring.

  15. Structural properties of iron nitride on Cu(100): An ab-initio molecular dynamics study

    KAUST Repository

    Heryadi, Dodi

    2011-01-01

    Due to their potential applications in magnetic storage devices, iron nitrides have been a subject of numerous experimental and theoretical investigations. Thin films of iron nitride have been successfully grown on different substrates. To study the structural properties of a single monolayer film of FeN we have performed an ab-initio molecular dynamics simulation of its formation on a Cu(100) substrate. The iron nitride layer formed in our simulation shows a p4gm(2x2) reconstructed surface, in agreement with experimental results. In addition to its structural properties, we are also able to determine the magnetization of this thin film. Our results show that one monolayer of iron nitride on Cu(100) is ferromagnetic with a magnetic moment of 1.67 μ B. © 2011 Materials Research Society.

  16. Evaluation of collective transport properties of ionic melts from molecular dynamics simulations

    Indian Academy of Sciences (India)

    Manish Agarwal; Charusita Chakravarty

    2009-09-01

    Molecular dynamics simulations of beryllium fluoride (BeF2) have been carried out in the canonical (NVT) ensemble using a rigid-ion potential model. The Green-Kubo formalism has been applied to compute viscosities and ionic conductivities of BeF2 melt. The computational parameters critical for reliably estimating these collective transport properties are shown to differ significantly for viscosity and ionic conductivity. In addition to the equilibrium values of these transport properties, structural relaxation times as well as high-frequency IR-active modes are computed from the pressure and charge-flux auto correlation functions (ACFs) respectively. It is shown that a network-forming ionic melt, such as BeF2, will display persistent oscillatory behaviour of the integral of the charge-flux ACF. By suitable Fourier transformation, one can show that these persistent oscillations correspond to highfrequency, infra-red active vibrations associated with local modes of the network.

  17. Analysis of Static and Dynamic Properties of Micromirror with the Application of Response Surface Method

    Directory of Open Access Journals (Sweden)

    A Martowicz

    2016-09-01

    Full Text Available The paper presents the results of an application of response surface method to aid the analysis of variation of static and dynamic properties of micromirror. The multiphysics approach was taken into account to elaborate finite element model of electrostatically actuated microdevice and coupled analyses were carried out to yield the results. Used procedure of metamodel fitting is described and its quality is discussed. Elaborated approximations were used to perform the sensitivity analysis as well as to study the propagation of variation introduced by uncertain and control parameters. The input parameters deal with geometry, material properties and control voltage. As studied output characteristics there were chosen the resultant static vertical displacement of reflecting surfaces and the resonance frequency related to the first normal mode of vibration.

  18. Thermophysical properties of liquid Ni around the melting temperature from molecular dynamics simulation

    Science.gov (United States)

    Rozas, R. E.; Demiraǧ, A. D.; Toledo, P. G.; Horbach, J.

    2016-08-01

    Thermophysical properties of liquid nickel (Ni) around the melting temperature are investigated by means of classical molecular dynamics (MD) simulation, using three different embedded atom method potentials to model the interactions between the Ni atoms. Melting temperature, enthalpy, static structure factor, self-diffusion coefficient, shear viscosity, and thermal diffusivity are compared to recent experimental results. Using ab initio MD simulation, we also determine the static structure factor and the mean-squared displacement at the experimental melting point. For most of the properties, excellent agreement is found between experiment and simulation, provided the comparison relative to the corresponding melting temperature. We discuss the validity of the Hansen-Verlet criterion for the static structure factor as well as the Stokes-Einstein relation between self-diffusion coefficient and shear viscosity. The thermal diffusivity is extracted from the autocorrelation function of a wavenumber-dependent temperature fluctuation variable.

  19. Melting Properties of Medium-Sized Silicon Nanoclusters: A Molecular Dynamics Study

    Science.gov (United States)

    Li, Haipeng; Xu, Runfeng; Bi, Zetong; Shen, Xiaopeng; Han, Kui

    2017-07-01

    The structures and melting properties of the medium-sized silicon nanoclusters have been comparatively studied using the molecular dynamics method. Structural and thermodynamic parameters are used to characterize the melting properties of the clusters. The size dependence of the melting temperature of silicon nanoclusters is determined using the computation results. Different from the homogeneous melting of bulk silicon, melting of silicon nanoparticles proceeds over a finite temperature range due to surface effects, which shows the heterogeneous melting of nanoclusters. We found that the melting starts at the cluster surface and progressively shifts into the core region. This study provides a fundamental perspective on the melting behaviors of semiconductor silicon nanoclusters at the atomistic level.

  20. Mechanical Properties of Boehmite Evaluated by Atomic Force Microscopy Experiments and Molecular Dynamic Finite Element Simulations

    Directory of Open Access Journals (Sweden)

    J. Fankhänel

    2016-01-01

    Full Text Available Boehmite nanoparticles show great potential in improving mechanical properties of fiber reinforced polymers. In order to predict the properties of nanocomposites, knowledge about the material parameters of the constituent phases, including the boehmite particles, is crucial. In this study, the mechanical behavior of boehmite is investigated using Atomic Force Microscopy (AFM experiments and Molecular Dynamic Finite Element Method (MDFEM simulations. Young’s modulus of the perfect crystalline boehmite nanoparticles is derived from numerical AFM simulations. Results of AFM experiments on boehmite nanoparticles deviate significantly. Possible causes are identified by experiments on complementary types of boehmite, that is, geological and hydrothermally synthesized samples, and further simulations of imperfect crystals and combined boehmite/epoxy models. Under certain circumstances, the mechanical behavior of boehmite was found to be dominated by inelastic effects that are discussed in detail in the present work. The studies are substantiated with accompanying X-ray diffraction and Raman experiments.

  1. EVALUATION OF A DRIVER’S SEAT’S DYNAMIC PROPERTIES

    Directory of Open Access Journals (Sweden)

    Ondrej KOHL

    2016-06-01

    Full Text Available The springing support in a driver’s seat is a very serious issue, such that manufacturers are increasing their efforts to optimize the dynamic properties of this kind of seat. The main optimization criterion is vibration insulation efficiency with regard to health research and associated health standards and regulations. This article deals with the definition of the optimal driver’s seat properties in relation to two examples of springing systems with different kinds of damping. The first case involves the springing support of a driver’s seat that uses a pneumatic spring and a telescopic hydraulic damper. In the second case, the damping effect is achieved by two pneumatic springs whose forces effect a phase shift due to a throttle valve located in the connecting piping system.

  2. Temperature-dependent mechanical properties of single-layer molybdenum disulphide: Molecular dynamics nanoindentation simulations

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Junhua, E-mail: junhua.zhao@uni-weimar.de [Jiangsu Province Key Laboratory of Advanced Manufacturing Equipment and Technology of Food, Jiangnan University, 214122 Wuxi (China); Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); Jiang, Jin-Wu, E-mail: jwjiang5918@hotmail.com [Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); Rabczuk, Timon, E-mail: timon.rabczuk@uni-weimar.de [Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); School of Civil, Environmental and Architectural Engineering, Korea University, 136-701 Seoul (Korea, Republic of)

    2013-12-02

    The temperature-dependent mechanical properties of single-layer molybdenum disulphide (MoS{sub 2}) are obtained using molecular dynamics (MD) nanoindentation simulations. The Young's moduli, maximum load stress, and maximum loading strain decrease with increasing temperature from 4.2 K to 500 K. The obtained Young's moduli are in good agreement with those using our MD uniaxial tension simulations and the available experimental results. The tendency of maximum loading strain with different temperature is opposite with that of metal materials due to the short range Stillinger-Weber potentials in MoS{sub 2}. Furthermore, the indenter tip radius and fitting strain effect on the mechanical properties are also discussed.

  3. Dynamic-Mechanical and Impact Properties of Conductive Polymer Blends Based on Polypropylene

    Science.gov (United States)

    Acierno, Domenico; Russo, Pietro

    2007-04-01

    Plastic materials with significant electrical properties are getting more and more interest as witnessed by the wide spectra of industrial applications such as high performance textiles, fabrics for military, electronics and display technologies, automotive field (fuel delivery lines, exterior body panels) and so on. In this context, in the last decade an increasing interest has been devoted to the use of intrinsically conductive polymers such as polyaniline (PANI). In this work melt blended formulations based on polypropylene, containing 5% and 10% by weight of PANI, were investigated in terms of dynamic-mechanical and impact properties. Preliminary results indicate that, besides the processing conditions, inclusions of PANI make a general worsening of the dumping behaviour, especially in the rubbery region. Anyway, it is evident a clear improvement of the impact resistance with respect to the matrix, processed under the same conditions and taken as a reference, for the 5wt % system.

  4. Phase transition and mechanical properties of tungsten nanomaterials from molecular dynamic simulation

    Science.gov (United States)

    Chen, L.; Fan, J. L.; Gong, H. R.

    2017-03-01

    Molecular dynamic simulation is used to systematically find out the effects of the size and shape of nanoparticles on phase transition and mechanical properties of W nanomaterials. It is revealed that the body-centered cubic (BCC) to face-centered cubic (FCC) phase transition could only happen in cubic nanoparticles of W, instead of the shapes of sphere, octahedron, and rhombic dodecahedron, and that the critical number to trigger the phase transition is 5374 atoms. Simulation also shows that the FCC nanocrystalline W should be prevented due to its much lower tensile strength than its BCC counterpart and that the octahedral and rhombic dodecahedral nanoparticles of W, rather than the cubic nanoparticles, should be preferred in terms of phase transition and mechanical properties. The derived results are discussed extensively through comparing with available observations in the literature to provide a deep understanding of W nanomaterials.

  5. Freeze-thaw treatment effects on the dynamic mechanical properties of articular cartilage

    Directory of Open Access Journals (Sweden)

    Muldrew Ken

    2010-10-01

    Full Text Available Abstract Background As a relatively non-regenerative tissue, articular cartilage has been targeted for cryopreservation as a method of mitigating a lack of donor tissue availability for transplant surgeries. In addition, subzero storage of articular cartilage has long been used in biomedical studies using various storage temperatures. The current investigation studies the potential for freeze-thaw to affect the mechanical properties of articular cartilage through direct comparison of various subzero storage temperatures. Methods Both subzero storage temperature as well as freezing rate were compared using control samples (4°C and samples stored at either -20°C or -80°C as well as samples first snap frozen in liquid nitrogen (-196°C prior to storage at -80°C. All samples were thawed at 37.5°C to testing temperature (22°C. Complex stiffness and hysteresis characterized load resistance and damping properties using a non-destructive, low force magnitude, dynamic indentation protocol spanning a broad loading rate range to identify the dynamic viscoelastic properties of cartilage. Results Stiffness levels remained unchanged with exposure to the various subzero temperatures. Hysteresis increased in samples snap frozen at -196°C and stored at -80°C, though remained unchanged with exposure to the other storage temperatures. Conclusions Mechanical changes shown are likely due to ice lens creation, where frost heave effects may have caused collagen damage. That storage to -20°C and -80°C did not alter the mechanical properties of articular cartilage shows that when combined with a rapid thawing protocol to 37.5°C, the tissue may successfully be stored at subzero temperatures.

  6. Dynamical properties measurements for asteroid, comet and meteorite material applicable to impact modeling and mitigation calculations

    Energy Technology Data Exchange (ETDEWEB)

    Furnish, M.D.; Boslough, M.B. [Sandia National Labs., Albuquerque, NM (United States); Gray, G.T. III [Los Alamos National Lab., NM (United States); Remo, J.L. [Quantametrics, Inc., St. James, NY (United States)

    1994-07-01

    We describe methods for measuring dynamical properties for two material categories of interest in understanding large-scale extraterrestrial impacts: iron-nickel and underdense materials (e.g. snow). Particular material properties measured by the present methods include Hugoniot release paths and constitutive properties (stress vs. strain). The iron-nickel materials lend themselves well to conventional shock and quasi-static experiments. As examples, a suite of experiments is described including six impact tests (wave profile compression/release) over the stress range 2--20 GPa, metallography, quasi-static and split Hopkinson pressure bar (SHPB) mechanical testing, and ultrasonic mapping and sound velocity measurements. Temperature sensitivity of the dynamic behavior was measured at high and low strain rates. Among the iron-nickel materials tested, an octahedrite was found to have behavior close to that of Armco iron under shock and quasi-static conditions, while an ataxite exhibited a significantly larger quasi-static yield strength than did the octahedrite or a hexahedrite. The underdense materials pose three primary experimental difficulties. First, the samples are friable; they can melt or sublimate during storage, preparation and testing. Second, they are brittle and crushable; they cannot withstand such treatment as traditional machining or launch in a gun system. Third, with increasing porosity the calculated Hugoniot density becomes rapidly more sensitive to errors in wave time-of-arrival measurements. Carefully chosen simulants eliminate preservation (friability) difficulties, but the other difficulties remain. A family of 36 impact tests was conducted on snow and snow simulants at Sandia, yielding reliable Hugoniot and reshock states, but limited release property information. Other methods for characterizing these materials are discussed.

  7. Dynamical properties measurements for asteroid, comet and meteorite material applicable to impact modeling and mitigation calculations

    Science.gov (United States)

    Furnish, M. D.; Boslough, M. B.; Gray, G. T., III; Remo, J. L.

    We describe methods for measuring dynamical properties for two material categories of interest in understanding large-scale extraterrestrial impacts: iron-nickel and underdense materials (e.g. snow). Particular material properties measured by the present methods include Hugoniot release paths and constitutive properties (stress vs. strain). The iron-nickel materials lend themselves well to conventional shock and quasi-static experiments. As examples, a suite of experiments is described including six impact tests (wave profile compression/release) over the stress range 2-20 GPa, metallography, quasi-static and split Hopkinson pressure bar (SHPB) mechanical testing, and ultrasonic mapping and sound velocity measurements. Temperature sensitivity of the dynamic behavior was measured at high and low strain rates. Among the iron-nickel materials tested, an octahedrite was found to have behavior close to that of Armco iron under shock and quasi-static conditions, while an ataxite exhibited a significantly larger quasi-static yield strength than did the octahedrite or a hexahedrite. The underdense materials pose three primary experimental difficulties. First, the samples are friable; they can melt or sublimate during storage, preparation and testing. Second, they are brittle and crushable; they cannot withstand such treatment as traditional machining or launch in a gun system. Third, with increasing porosity the calculated Hugoniot density becomes rapidly more sensitive to errors in wave time-of-arrival measurements. Carefully chosen simulants eliminate preservation (friability) difficulties, but the other difficulties remain. A family of 36 impact tests was conducted on snow and snow simulants at Sandia, yielding reliable Hugoniot and reshock states, but limited release property information. Other methods for characterizing these materials are discussed.

  8. MORPHOLOGY AND MECHANICAL PROPERTIES OF POLY(ETHYLENE-OCTENE) COPOLYMERS OBTAINED BY DYNAMIC PACKING INJECTION MOLDING

    Institute of Scientific and Technical Information of China (English)

    Dong Liang; Li-juan Zhou; Qin Zhang; Feng Chen; Ke Wang; Hua Deng; Qiang Fu

    2012-01-01

    The morphology and mechanical properties of poly(ethylene-octene) copolymers (POE) obtained by dynamic packing injection molding were investigated by mechanical tests,differential scanning calorimetry (DSC),fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM).The mechanical tests found that only POE with low octene content and high molecular weight show apparent response for external shear field.Further investigation has been done by DSC,FT-IR,and SEM in order to make clear the reason of that phenomenon.Finally,the hypothetical mechanism of POE microstructure formation under shear field has been proposed.For POE with low octene content and high molecular weight,orientation degree and mechanical properties both increase substantially under shear field.For POE with low octene content and low molecular weight,orientation degree and crystallinity increase under shear field,but it is not dramatically benefit for the mechanical properties.For POE with high octene content and high molecular weight,the shear field has little effect on the morphology and mechanical properties.

  9. The use of molecular dynamics for the study of solution properties of guar gum

    Science.gov (United States)

    Laguna, M. Teresa R.; Tarazona, M. Pilar; Saiz, Enrique

    2003-07-01

    Size exclusion chromatography with dual detection, i.e., employing a refractive index, concentration sensitive, detector together with a multiangle light scattering detector which is sensitive to molecular size, has been applied to study the solution properties of guar gum in water with different concentrations of K2SO4 at 25 °C. The analysis of a single highly polydisperse sample is enough for obtaining calibration curves for molecular weight and radius of gyration and the scaling law coefficients. The influence of the ionic strength on the conformational properties of the polymer can also be analyzed. Moreover, unperturbed dimensions can be obtained by extrapolation of the values measured in a good solvent. The value of the characteristic ratio of the unperturbed dimensions thus obtained is Cn=0/nl2≈19±1. A theoretical analysis is also included. Thus, molecular dynamics procedures were employed to analyze the conformational properties of an oligomer of guar gum under different conditions; namely, standing alone in vacuo, in bulk solid state and in water solution, both with and without salt. These conformational properties were then employed to compute molecular dimensions of Monte Carlo generated chains with different lengths according to standard procedures of the matrix multiplication scheme, thus allowing the evaluation of both perturbed and unperturbed dimensions which are in very good agreement with the experimental values. Moreover our result permits the explanation of the discrepancies among experimental and theoretical values reported in the literature.

  10. Dynamic Viscoelasticity and Surface Properties of Porcine Left Anterior Descending Coronary Arteries.

    Science.gov (United States)

    Burton, Hanna E; Freij, Jenny M; Espino, Daniel M

    2017-03-01

    The aim of this study was, for the first time, to measure and compare quantitatively the viscoelastic properties and surface roughness of coronary arteries. Porcine left anterior descending coronary arteries were dissected ex vivo. Viscoelastic properties were measured longitudinally using dynamic mechanical analysis, for a range of frequencies from 0.5 to 10 Hz. Surface roughness was calculated following three-dimensional reconstructed of surface images obtained using an optical microscope. Storage modulus ranged from 14.47 to 25.82 MPa, and was found to be frequency-dependent, decreasing as the frequency increased. Storage was greater than the loss modulus, with the latter found to be frequency-independent with a mean value of 2.10 ± 0.33 MPa. The circumferential surface roughness was significantly greater (p surface roughness, ranging from 0.73 to 2.83 and 0.35 to 0.92 µm, respectively. However, if surface roughness values were corrected for shrinkage during processing, circumferential and longitudinal surface roughness were not significantly different (1.04 ± 0.47, 0.89 ± 0.27 µm, respectively; p > 0.05). No correlation was found between the viscoelastic properties and surface roughness. It is feasible to quantitatively measure the viscoelastic properties of coronary arteries and the roughness of their endothelial surface.

  11. Beneath aggregate stability - quantifying thermodynamic properties that drive soil structure dynamics

    Science.gov (United States)

    Hallett, Paul; Ogden, Mike; Karim, Kamal; Schmidt, Sonja; Yoshida, Shuichiro

    2014-05-01

    Soil aggregates are a figment of your energy input and initial boundary conditions, so the basic thermodynamics that drive soil structure formation are needed to understand soil structure dynamics. Using approaches from engineering and materials science, it is possible quantify basic thermodynamic properties, but at present tests are generally limited to highly simplified, often remoulded, soil structures. Although this presents limitations, the understanding of underlying processes driving soil structure dynamics is poor, which could be argued is due to the enormity of the challenge of such an incredibly complex system. Other areas of soil science, particularly soil water physics, relied on simplified structures to develop theories that can now be applied to more complex pore structures. We argue that a similar approach needs to gain prominence in the study of soil aggregates. An overview will be provided of approaches adapted from other disciplines to quantify particle bonding, fracture resistance, rheology and capillary cohesion of soil that drive its aggregation and structure dynamics. All of the tests are limited as they require simplified soil structures, ranging from repacked soils to flat surfaces coated with mineral particles. A brief summary of the different approaches will demonstrate the benefits of collecting basic physical data relevant to soil structure dynamics, including examples where they are vital components of models. The soil treatments we have tested with these engineering and materials science approaches include field soils from a range of management practices with differing clay and organic matters contents, amendment and incubation of soils with a range of microorganisms and substrates in the laboratory, model clay-sand mixes and planar mineral surfaces with different topologies. In addition to advocating the wider adoption of these approaches, we will discuss limitations and hope to stimulate discussion on how approaches could be improved

  12. The dynamical mechanical properties of tungsten under compression at working temperature range of divertors

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, C.C. [School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230026 (China); Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); Song, Y.T. [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230026 (China); Peng, X.B., E-mail: pengxb@ipp.ac.cn [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); Wei, Y.P. [Key Laboratory of Mechanics in Fluid Solid Coupling Systems, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Mao, X. [Institute of Plasma Physics, Chinese Academy of Sciences, Hefei 230031 (China); Li, W.X.; Qian, X.Y. [School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230026 (China)

    2016-02-15

    In the divertor structure of ITER and EAST with mono-block module, tungsten plays not only a role of armor material but also a role of structural material, because electromagnetic (EM) impact will be exerted on tungsten components in VDEs or CQ. The EM loads can reach to 100 MN, which would cause high strain rates. In addition, directly exposed to high-temperature plasma, the temperature regime of divertor components is complex. Aiming at studying dynamical response of tungsten divertors under EM loads, an experiment on tungsten employed in EAST divertors was performed using a Kolsky bar system. The testing strain rates and temperatures is derived from actual working conditions, which makes the constitutive equation concluded by using John-Cook model and testing data very accurate and practical. The work would give a guidance to estimate the dynamical response, fatigue life and damage evolution of tungsten divertor components under EM impact loads. - Graphical abstract: From the comparison between the experimental curves and the predicted curves calculated by adopting the corrected m, it is very clear that the new model is of great capability to explain the deformation behavior of the tungsten material under dynamic compression at high temperatures. (EC, PC and PCM refers to experimental curve, predicted curve and predicted curve with a corrected m. Different colors represent different scenarios.). - Highlights: • Test research on dynamic properties of tungsten at working temperature range and strain rate range of divertors. • Constitutive equation descrbing strain hardening, strain rate hardening and temperature softening. • A guidance to estimate dynamical response and damage evolution of tungsten divertor components under impact.

  13. Simulation of material properties below the Debye temperature: A path-integral molecular dynamics case study of quartz

    Science.gov (United States)

    Müser, Martin H.

    2001-04-01

    Classical and path integral molecular dynamics (PIMD) simulations are used to study α and β quartz in a large range of temperatures at zero external stress. PIMD account for quantum fluctuations of atomic vibrations, which can modify material properties at temperatures below the Debye temperature. The difference between classical and quantum mechanical results for bond lengths, bond angles, elastic moduli, and some dynamical properties is calculated and comparison to experimental data is done. Only quantum mechanical simulations are able to reproduce the correct thermomechanical properties below room temperature. It is discussed in how far classical and PIMD simulations can be helpful in constructing improved potential energy surfaces for silica.

  14. Shaking table tests and numerical simulation of dynamic properties of underground structures

    Institute of Scientific and Technical Information of China (English)

    ZHOU Lincong; ZHENG Yifeng; PAN Shunchun

    2009-01-01

    It is considered that the damage of the underground structures caused by earthquakes is minor for a long time. However, the catastrophic damages induced by several recent earthquakes (e.g. Kobe earthquake in 1995) revealed that the study on the dynamic properties of the underground structures is indispensable. The dynamic behavior and damage mechanism of underground structure are analyzed by using shaking table tests (both shallow- and deep-buried) and numerical simulation (3D FEM) including horizontal and vertical input motions, individually and simultaneously. From the results, the underground structure collapsed due to strong horizontal forces although vertical deformation is not negligible. The vertical excitation increases the response of structure, especially the stress and shear stress at the upper section; the soil influenced the property of soil-structure system. In the same excitation, the response in shallow-buried test is larger than deep case. Both overburden and vertical earthquake play important roles in the response of structure and those are two critical aspects in the design of the large-span underground structures, such as subway stations.

  15. Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties

    Science.gov (United States)

    Fogarty, Aoife C.; Potestio, Raffaello; Kremer, Kurt

    2015-05-01

    A fully atomistic modelling of many biophysical and biochemical processes at biologically relevant length- and time scales is beyond our reach with current computational resources, and one approach to overcome this difficulty is the use of multiscale simulation techniques. In such simulations, when system properties necessitate a boundary between resolutions that falls within the solvent region, one can use an approach such as the Adaptive Resolution Scheme (AdResS), in which solvent particles change their resolution on the fly during the simulation. Here, we apply the existing AdResS methodology to biomolecular systems, simulating a fully atomistic protein with an atomistic hydration shell, solvated in a coarse-grained particle reservoir and heat bath. Using as a test case an aqueous solution of the regulatory protein ubiquitin, we first confirm the validity of the AdResS approach for such systems, via an examination of protein and solvent structural and dynamical properties. We then demonstrate how, in addition to providing a computational speedup, such a multiscale AdResS approach can yield otherwise inaccessible physical insights into biomolecular function. We use our methodology to show that protein structure and dynamics can still be correctly modelled using only a few shells of atomistic water molecules. We also discuss aspects of the AdResS methodology peculiar to biomolecular simulations.

  16. Molecular dynamics simulations of the dielectric properties of fructose aqueous solutions

    Science.gov (United States)

    Sonoda, Milton T.; Elola, M. Dolores; Skaf, Munir S.

    2016-10-01

    The static dielectric permittivity and dielectric relaxation properties of fructose aqueous solutions of different concentrations ranging from 1.0 to 4.0 mol l-1 are investigated by means of molecular dynamics simulations. The contributions from intra- and interspecies molecular correlations were computed individually for both the static and frequency-dependent dielectric properties, and the results were compared with the available experimental data. Simulation results in the time- and frequency-domains were analyzed and indicate that the presence of fructose has little effect on the position of the fast, high-frequency (>500 cm-1) components of the dielectric response spectrum. The low-frequency (concentration. Our analysis indicates that fructose-fructose and fructose-water interactions strongly affect the rotational-diffusion regime of molecular motions in the solutions. Increasing fructose concentration not only enhances sugar-sugar and sugar-water low frequency contributions to the dielectric loss spectrum but also slows down the reorientational dynamics of water molecules. These results are consistent with previous computer simulations carried out for other disaccharide aqueous solutions.

  17. Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties

    Energy Technology Data Exchange (ETDEWEB)

    Fogarty, Aoife C., E-mail: fogarty@mpip-mainz.mpg.de; Potestio, Raffaello, E-mail: potestio@mpip-mainz.mpg.de; Kremer, Kurt, E-mail: kremer@mpip-mainz.mpg.de [Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz (Germany)

    2015-05-21

    A fully atomistic modelling of many biophysical and biochemical processes at biologically relevant length- and time scales is beyond our reach with current computational resources, and one approach to overcome this difficulty is the use of multiscale simulation techniques. In such simulations, when system properties necessitate a boundary between resolutions that falls within the solvent region, one can use an approach such as the Adaptive Resolution Scheme (AdResS), in which solvent particles change their resolution on the fly during the simulation. Here, we apply the existing AdResS methodology to biomolecular systems, simulating a fully atomistic protein with an atomistic hydration shell, solvated in a coarse-grained particle reservoir and heat bath. Using as a test case an aqueous solution of the regulatory protein ubiquitin, we first confirm the validity of the AdResS approach for such systems, via an examination of protein and solvent structural and dynamical properties. We then demonstrate how, in addition to providing a computational speedup, such a multiscale AdResS approach can yield otherwise inaccessible physical insights into biomolecular function. We use our methodology to show that protein structure and dynamics can still be correctly modelled using only a few shells of atomistic water molecules. We also discuss aspects of the AdResS methodology peculiar to biomolecular simulations.

  18. Dynamic Properties of Footbridges: Influence of Asphalt Pavement and Support Conditions

    Directory of Open Access Journals (Sweden)

    Weber Benedikt

    2015-01-01

    Full Text Available Natural frequencies and damping ratios are important parameters in the design of footbridges against vibrations. Although not normally considered in calculations, non-structural elements such as the asphalt pavement and the supports can have a significant influence on the dynamic properties. In this article we present results from vibration tests conducted on four footbridges over the last few years covering a wide range of asphalt temperatures. The experiments show that both the natural frequencies and the damping ratios can change significantly with temperature. In one particular case, a variation in natural frequency of 25% has been observed between high and low asphalt temperatures. An additional damping of around 1% due to the asphalt pavement has been detected. To more clearly understand the experimental results, the bridges were also analysed numerically using a visco-elastic material for the asphalt. The analysis of the experimental results also revealed that other non-structural elements can have a large influence on dynamic properties of bridges. In two cases, the supports did not perform as expected and lead to surprising results.

  19. Uncertain dynamic analysis for rigid-flexible mechanisms with random geometry and material properties

    Science.gov (United States)

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

    2017-02-01

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

  20. Influences of interphase on dynamic effective properties of composites reinforced by dispersed spherical particles

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The influences of interphase on dynamic effective properties of composites reinforced by randomly dispersed spherical particles were studied. A thin homogeneous elastic interphase with different shear and bulk moduli, located between the reinforced particle and the host matrix, was introduced to model the interfacial bonding state. The effects of such an interphase on the coherent plane waves were studied numerically. Numerical simulations were carried out for SiC-Al composites with four typical cases of interphase. It was found that the property of interphase has significant influences on the effective propagation constants of coherent waves and the dynamic effective elastic moduli of the composites. The influences on the coherent longitudinal wave and the coherent shear waves were different and dependent upon the frequency range. Moreover, several imperfect interface models, i.e., the spring model, mass model, and spring-mass model, were studied numerically and compared with the interphase model. It was found that the spring model is a more suitable model than the mass model for the light and weak interphase whereas the mass model is a more suitable model than the spring model for the heavy and strong interphase.

  1. Relationships between nanostructure and dynamic-mechanical properties of epoxy network containing PMMA-modified silsesquioxane

    Directory of Open Access Journals (Sweden)

    2009-06-01

    Full Text Available A new class of organic-inorganic hybrid nanocomposites was obtained by blending PMMA-modified silsesquioxane hybrid materials with epoxy matrix followed by curing with methyl tetrahydrophthalic anhydride. The hybrid materials were obtained by sol-gel method through the hydrolysis and polycondensation of the silicon species of the hybrid precursor, 3-methacryloxypropyltrimethoxysilane (MPTS, simultaneously to the polymerization of the methacrylate (MMA groups covalently bonded to the silicon atoms. The nanostructure of these materials was investigated by small angle X-ray scattering (SAXS and correlated to their dynamic mechanical properties. The SAXS results revealed a hierarchical nanostructure consisting on two structural levels. The first level is related to the siloxane nanoparticles spatially correlated in the epoxy matrix, forming larger hybrid secondary aggregates. The dispersion of siloxane nanoparticles in epoxy matrix was favored by increasing the MMA content in the hybrid material. The presence of small amount of hybrid material affected significantly the dynamic mechanical properties of the epoxy networks.

  2. MAPPING OF RESERVOIR PROPERTIES AND FACIES THROUGH INTEGRATION OF STATIC AND DYNAMIC DATA

    Energy Technology Data Exchange (ETDEWEB)

    Albert C. Reynolds; Dean S. Oliver; Yannong Dong; Ning Liu; Guohua Gao; Fengjun Zhang; Ruijian Li

    2004-12-01

    Knowledge of the distribution of permeability and porosity in a reservoir is necessary for the prediction of future oil production, estimation of the location of bypassed oil, and optimization of reservoir management. The volume of data that can potentially provide information on reservoir architecture and fluid distributions has increased enormously in the past decade. The techniques developed in this research will make it easier to use all the available data in an integrated fashion. While it is relatively easy to generate plausible reservoir models that honor static data such as core, log, and seismic data, it is far more difficult to generate plausible reservoir models that honor dynamic data such as transient pressures, saturations, and flow rates. As a result, the uncertainty in reservoir properties is higher than it could be and reservoir management can not be optimized. In this project, we have developed computationally efficient automatic history matching techniques for generating geologically plausible reservoir models which honor both static and dynamic data. Specifically, we have developed methods for adjusting porosity and permeability fields to match both production and time-lapse seismic data and have also developed a procedure to adjust the locations of boundaries between facies to match production data. In all cases, the history matched rock property fields are consistent with a prior model based on static data and geologic information. Our work also indicates that it is possible to adjust relative permeability curves when history matching production data.

  3. Simulation by two calcium store models of myocardial dynamic properties: potentiation, staircase, and biphasic tension development.

    Science.gov (United States)

    Wussling, M; Szymanski, G

    1986-04-01

    Most considerations and models concerning myocardial dynamic properties e.g. potentiation and staircase, are based upon the existence of storage structures in the heart muscle cell. The phenomenon of biphasic tension development (or two-component contraction) in heart muscle preparations of several mammalian species suggests that the sarcoplasmic reticulum is one, but by no means the major, source of activator calcium for the contractile system. The simulation of dynamic properties including biphasic tension development was performed in two steps by a simple "two-Ca store-model" and by an "expanded two-Ca store-model" with following results: Increasing potentiation indicated a decrease in the degree of coupling between the Ca stores. A shift of the interval strength curve to lower intervals as well as a decrease of the steady state contraction height implies a decrease of both, the coupling and the leakage time constant. There was no standard relation between staircase phenomena and structure parameters. Analog displays showed a late (or second) component at prolongated stimulation intervals, in the transient phase after a rest period, in the case of perfectly coupled or uncoupled stores, and at great time constant tau p (which characterizes the calcium pump activity). It is concluded that the late component of biphasic tension development is due to direct activation by the transsarcolemmal Ca flux of the myofilaments, whereas the early component is caused by the release of stored calcium. In the absence of an early component neither potentiation nor marked treppe may be expected.

  4. Dynamic and stress relaxation properties of the whole porcine temporomandibular joint disc under compression.

    Science.gov (United States)

    Barrientos, Eva; Pelayo, Fernández; Tanaka, Eiji; Lamela-Rey, María Jesús; Fernández-Canteli, Alfonso

    2016-04-01

    In this study, the dynamic and static compressive properties of the whole porcine temporomandibular joint (TMJ) disc were investigated. The aim of the study was to develop a new simple method for the evaluation of joint viscoelasticity, enabling examination of the load-bearing capacity and joint flexibility of the entire disc. For the experiments, a novel testing fixture that reproduces the condylar and fossa surfaces of the TMJ was developed to replicate TMJ disc geometry. Ten porcine discs were used in the experiments. Each disc was dissected from the TMJ and sinusoidal compressive strain was applied to obtain the storage and loss moduli. Static strain control tests were carried out to obtain the relaxation modulus. The result of static and dynamic tests indicated that the whole disc presented viscoelastic behavior under compression. Storage and loss moduli increased with frequency and the relaxation modulus decreased over time. The loss tangent showed less frequency dependence, with values ranging from 0.2 to 0.3, suggesting that the viscous properties of the disc cannot be neglected. These results provide a better understanding of whole disc mechanical compression behavior under realistic TMJ working conditions.

  5. Soil properties, nutrient dynamics, and soil enzyme activities associated with garlic stalk decomposition under various conditions.

    Directory of Open Access Journals (Sweden)

    Xu Han

    Full Text Available The garlic stalk is a byproduct of garlic production and normally abandoned or burned, both of which cause environmental pollution. It is therefore appropriate to determine the conditions of efficient decomposition, and equally appropriate to determine the impact of this decomposition on soil properties. In this study, the soil properties, enzyme activities and nutrient dynamics associated with the decomposition of garlic stalk at different temperatures, concentrations and durations were investigated. Stalk decomposition significantly increased the values of soil pH and electrical conductivity. In addition, total nitrogen and organic carbon concentration were significantly increased by decomposing stalks at 40°C, with a 5:100 ratio and for 10 or 60 days. The highest activities of sucrase, urease and alkaline phosphatase in soil were detected when stalk decomposition was performed at the lowest temperature (10°C, highest concentration (5:100, and shortest duration (10 or 20 days. The evidence presented here suggests that garlic stalk decomposition improves the quality of soil by altering the value of soil pH and electrical conductivity and by changing nutrient dynamics and soil enzyme activity, compared to the soil decomposition without garlic stalks.

  6. Soil properties, nutrient dynamics, and soil enzyme activities associated with garlic stalk decomposition under various conditions.

    Science.gov (United States)

    Han, Xu; Cheng, Zhihui; Meng, Huanwen

    2012-01-01

    The garlic stalk is a byproduct of garlic production and normally abandoned or burned, both of which cause environmental pollution. It is therefore appropriate to determine the conditions of efficient decomposition, and equally appropriate to determine the impact of this decomposition on soil properties. In this study, the soil properties, enzyme activities and nutrient dynamics associated with the decomposition of garlic stalk at different temperatures, concentrations and durations were investigated. Stalk decomposition significantly increased the values of soil pH and electrical conductivity. In addition, total nitrogen and organic carbon concentration were significantly increased by decomposing stalks at 40°C, with a 5:100 ratio and for 10 or 60 days. The highest activities of sucrase, urease and alkaline phosphatase in soil were detected when stalk decomposition was performed at the lowest temperature (10°C), highest concentration (5:100), and shortest duration (10 or 20 days). The evidence presented here suggests that garlic stalk decomposition improves the quality of soil by altering the value of soil pH and electrical conductivity and by changing nutrient dynamics and soil enzyme activity, compared to the soil decomposition without garlic stalks.

  7. Modified TOV in gravity’s rainbow: properties of neutron stars and dynamical stability conditions

    Energy Technology Data Exchange (ETDEWEB)

    Hendi, S.H. [Physics Department and Biruni Observatory, College of Sciences, Shiraz University,Shiraz 71454 (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM),P.O. Box 55134-441, Maragha (Iran, Islamic Republic of); Bordbar, G.H. [Physics Department and Biruni Observatory, College of Sciences, Shiraz University,Shiraz 71454 (Iran, Islamic Republic of); Center for Excellence in Astronomy and Astrophysics (CEAA-RIAAM)-Maragha,P.O. Box 55134-441, Maragha 55177-36698 (Iran, Islamic Republic of); Panah, B. Eslam [Physics Department and Biruni Observatory, College of Sciences, Shiraz University,Shiraz 71454 (Iran, Islamic Republic of); Panahiyan, S. [Physics Department and Biruni Observatory, College of Sciences, Shiraz University,Shiraz 71454 (Iran, Islamic Republic of); Physics Department, Shahid Beheshti University,Tehran 19839 (Iran, Islamic Republic of)

    2016-09-09

    In this paper, we consider a spherical symmetric metric to extract the hydrostatic equilibrium equation of stars in (3+1)-dimensional gravity’s rainbow in the presence of cosmological constant. Then, we generalize the hydrostatic equilibrium equation to d-dimensions and obtain the hydrostatic equilibrium equation for this gravity. Also, we obtain the maximum mass of neutron star using the modern equations of state of neutron star matter derived from the microscopic calculations. It is notable that, in this paper, we consider the effects of rainbow functions on the diagrams related to the mass-central mass density (M-ρ{sub c}) relation and also the mass-radius (M-R) relation of neutron star. We also study the effects of rainbow functions on the other properties of neutron star such as the Schwarzschild radius, average density, strength of gravity and gravitational redshift. Then, we apply the cosmological constant to this theory to obtain the diagrams of M-ρ{sub c} (or M-R) and other properties of these stars. Next, we investigate the dynamical stability condition for these stars in gravity’s rainbow and show that these stars have dynamical stability. We also obtain a relation between mass of neutron stars and Planck mass. In addition, we compare obtained results of this theory with the observational data.

  8. Dynamics of morphofunctional erythrocyte properties during intravenous glucose injection in patients with coronary heart disease

    Science.gov (United States)

    Malinova, Lidia I.; Simonenko, Georgy V.; Denisova, Tatyana P.; Tuchin, Valery V.

    2007-02-01

    Dynamics of glucose concentration in human organism is an important diagnostic characteristic for it's parameters correlate significantly with the severity of metabolic, vessel and perfusion disorders. 36 patients with stable angina pectoris of II and III functional classes were involved in this study. All of them were men in age range of 45-59 years old. 7 patients hospitalized with acute myocardial infarction (aged from 49 to 59 years old) form the group of compare. Control group (n = 5) was of practically healthy men in comparable age. To all patients intravenous glucose solution (40%) in standard loading dose was injected. Capillary and vein blood samples were withdrawn before, and 5, 60, 120, 180 and 240 minutes after glucose load. At these time points blood pressure and glucose concentration were measured. In prepared blood smears shape, deformability and sizes of erythrocytes, quantity and degree of shear stress resistant erythrocyte aggregates were studied. Received data were approximated by polynomial of high degree to receive concentration function of studied parameters, which first derivative elucidate velocity characteristics of morphofunctional erythrocyte properties during intravenous glucose injection in patients with coronary heart disease and practically healthy persons. Received data show principle differences in dynamics of morphofunctional erythrocyte properties during intravenous glucose injection in patients with coronary heart disease as a possible mechanism of coronary blood flow destabilization.

  9. A test of systematic coarse-graining of molecular dynamics simulations: Transport properties.

    Science.gov (United States)

    Fu, Chia-Chun; Kulkarni, Pandurang M; Shell, M Scott; Leal, L Gary

    2013-09-07

    To what extent can a "bottom-up" mesoscale fluid model developed through systematic coarse-graining techniques recover the physical properties of a molecular scale system? In a previous paper [C.-C. Fu, P. M. Kulkarni, M. S. Shell, and L. G. Leal, J. Chem. Phys. 137, 164106 (2012)], we addressed this question for thermodynamic properties through the development of coarse-grained (CG) fluid models using modified iterative Boltzmann inversion methods that reproduce correct pair structure and pressure. In the present work we focus on the dynamic behavior. Unlike the radial distribution function and the pressure, dynamical properties such as the self-diffusion coefficient and viscosity in a CG model cannot be matched during coarse-graining by modifying the pair interaction. Instead, removed degrees of freedom require a modification of the equations of motion to simulate their implicit effects on dynamics. A simple but approximate approach is to introduce a friction coefficient, γ, and random forces for the remaining degrees of freedom, in which case γ becomes an additional parameter in the coarse-grained model that can be tuned. We consider the non-Galilean-invariant Langevin and the Galilean-invariant dissipative particle dynamics (DPD) thermostats with CG systems in which we can systematically tune the fraction φ of removed degrees of freedom. Between these two choices, only DPD allows both the viscosity and diffusivity to match a reference Lennard-Jones liquid with a single value of γ for each degree of coarse-graining φ. This friction constant is robust to the pressure correction imposed on the effective CG potential, increases approximately linearly with φ, and also depends on the interaction cutoff length, rcut, of the pair interaction potential. Importantly, we show that the diffusion constant and viscosity are constrained by a simple scaling law that leads to a specific choice of DPD friction coefficient for a given degree of coarse-graining. Moreover, we

  10. Fundamental and dynamic properties of intermixed InGaAs-InGaAsP quantum-well lasers

    KAUST Repository

    Chen, Cheng

    2010-09-01

    The fundamental and dynamic properties of InGaAs-InGaAsP lasers, where emission wavelengths were blue-shifted by quantum-well intermixing through ion implantation and annealing, were investigated to assess possible degradation by intermixing. It was found that the fundamental properties such as threshold current and slope efficiency were largely unchanged even after as much as 120 nm of wavelength shift. Meanwhile, the dynamic properties such as modulation efficiency and K factor were degraded after just a moderate degree of intermixing, but the degradation was not worsened by further intermixing. Provided the finite degradation of dynamic properties is tolerable, the present intermixing technique will be very useful for the fabrication of photonic integrated circuits. © 2006 IEEE.

  11. Study on Dynamic Compression Properties of K9 Glass with Doppler Pins Array Measurements

    Science.gov (United States)

    Changming, Hu; Xiang, Wang; Lingcang, Cai; Cangli, Liu

    2009-06-01

    K9 glass is one of archetypal brittle materials for studies of dynamic fracture, failure wave, and so on. This paper presented the dynamic compression properties of K9 glass under uniaxial strain condition. Experimental sample is K9 glass with internal pre-existed defects, and the shape of pre-existed defects is disc with less than 0.5 mm diameter. All tests were conducted by power gun with 37 mm diameter chamber. Doppler Pins array with high space-time resolutions, which consists of sixteen pins in range of 2 mm line length, were applied to measure the particle velocity histories in different positions at the sample rear surface, and the space-resolution is 127 μm, Experimental results show failure waves initiate at internal micro-surfaces of the sample under shock loading, and the dynamic stress concentration is likely attributed to be a physical mechanism of the initiation of the failure wave. These defects that by the controlled laser irradiation in advance are some internal micro-surfaces. Meanwhile, the experimental results show that internal micro-surfaces of the sample have influence on the elastic precursor wave decay.

  12. Dynamic mechanical properties of N-phenylnadimide modified PMR polyimide composites

    Science.gov (United States)

    Pater, Ruth H.

    1991-01-01

    Temperature-frequency dependence of alpha, beta, and gamma transitions was determined using a Rheometrics dynamic spectrometer on a series of unidirectional Celion 6000/N-phenylnadimide (PN) modified PMR polyimide composites. The objective was to see if any correlations exist between crosslinked network structure and dynamic mechanical properties. Variation in crosslinked network structures was achieved by altering the polyimide formulation through addition of various quantities of PN into the standard PMR-15 composition. As a control, PMR-15 composite system exhibited well-defined alpha, beta, and gamma transitions in the regions of 360, 100, and -120 C, respectively. Their activation energies were estimated to be 232, 60, and 14 kcal/mole, respectively. Increasing the amount of PN concentration caused lowering of the activation energies of the three relaxations, a decrease of the glass transition temperature, and increasing intensities of the three damping peaks, compared to the control PMR-15 counterpart. These dynamic mechanical responses were in agreement with formation of a more flexible copolymer from PN and PMR-15 prepolymer.

  13. Energy-conserving dissipative particle dynamics with temperature-dependent properties

    Energy Technology Data Exchange (ETDEWEB)

    Li, Zhen; Tang, Yu-Hang; Lei, Huan; Caswell, Bruce; Karniadakis, George E.

    2014-05-01

    The dynamic properties of fluid, including diffusivity and viscosity, are temperature-dependent and can significantly influence the flow dynamics of mesoscopic non-isothermal systems. To capture the correct temperature-dependence of a fluid, an energy-conserving dissipative particle dynamics (eDPD) model is developed by expressing the weighting terms of the dissipative force and the random force as functions of temperature. The diffusivity and viscosity of liquid water at various temperatures ranging from 273 K to 373 K are used as examples for verifying the proposed model. Simulations of a Poiseuille flow and a steady case of heat conduction for reproducing the Fourier law are carried out to validate the present eDPD formulation and the thermal boundary conditions. Results show that the present eDPD model recovers the standard DPD model when isothermal fluid systems are considered. For non-isothermal fluid systems, the present model can predict the diffusivity and viscosity consistent with available experimental data of liquid water at various temperatures. Moreover, an analytical formula for determining the mesoscopic heat friction is proposed. The validity of the formula is confirmed by reproducing the experimental data for Prandtl number of liquid water at various temperatures. The proposed method is demonstrated in water but it can be readily extended to other liquids. (C) 2014 Elsevier Inc. All rights reserved.

  14. Stochastic Properties of Neurotransmitter Release Expand the Dynamic Range of Synapses

    Science.gov (United States)

    Yang, Hua

    2013-01-01

    Release of neurotransmitter is an inherently random process, which could degrade the reliability of postsynaptic spiking, even at relatively large synapses. This is particularly important at auditory synapses, where the rate and precise timing of spikes carry information about sounds. However, the functional consequences of the stochastic properties of release are unknown. We addressed this issue at the mouse endbulb of Held synapse, which is formed by auditory nerve fibers onto bushy cells (BCs) in the anteroventral cochlear nucleus. We used voltage clamp to characterize synaptic variability. Dynamic clamp was used to compare BC spiking with stochastic or deterministic synaptic input. The stochastic component increased the responsiveness of the BC to conductances that were on average subthreshold, thereby increasing the dynamic range of the synapse. This had the benefit that BCs relayed auditory nerve activity even when synapses showed significant depression during rapid activity. However, the precision of spike timing decreased with stochastic conductances, suggesting a trade-off between encoding information in spike timing versus probability. These effects were confirmed in fiber stimulation experiments, indicating that they are physiologically relevant, and that synaptic randomness, dynamic range, and jitter are causally related. PMID:24005293

  15. Scale-dependent analyses of precipitation forecasts and cloud properties using the Dynamic State Index

    Directory of Open Access Journals (Sweden)

    Antje Névir Claussnitzer

    2008-12-01

    Full Text Available The objective of this study is a scale-dependent analysis of precipitation forecasts of the German Weather Service's (DWD non-hydrostatic Lokal-Modell (LM, COSMO-DE with regard to dynamical-statistical parameters and cloud properties. We propose a newly designed Dynamic State Index (DSI to evaluate precipitation processes. The DSI is presented in the context of a case study in the synoptic scale and in a statistical approach. The DSI quantitatively describes the deviation from a stationary, adiabatic and reversible solution of the primitive equations. As demonstrated by the example of the winter storm "Kyrill", the analysis of the vertical structure of the DSI gives a relation to the IPV-Thinking, introduced by Hoskins et al. (1985. Furthermore, the DSI-pattern features the characteristic filament-like structure of rainbands with embedded convective cells. In a next step the DSI is not only correlated with modelled precipitation but also with observed precipitation as well as cloud types. The absolute value of the DSI shows moderate correlations with hourly LM and high correlations with hourly COSMO-DE forecast data, based on 24 hour predictions. The statistical analysis of clouds with the index reveals a DSI-threshold, which is used to introduce a novel precipitation activity index of different cloud classes. In conclusion, the results highlight the importance of dynamical processes for the generation of rainfall.

  16. Effect of group walking traffic on dynamic properties of pedestrian structures

    Science.gov (United States)

    Shahabpoor, E.; Pavic, A.; Racic, V.; Zivanovic, S.

    2017-01-01

    The increasing number of reported vibration serviceability problems in newly built pedestrian structures, such as footbridges and floors, under walking load has attracted considerable attention in the civil engineering community over the past two decades. The key design challenges are: the inter- and intra-subject variability of walking people, the unknown mechanisms of their interaction with the vibrating walking surfaces and the synchronisation between individuals in a group. Ignoring all or some of these factors makes the current design methods an inconsistent approximation of reality. This often leads to considerable over- or under-estimation of the structural response, yielding an unreliable assessment of vibration performance. Changes to the dynamic properties of an empty structure due to the presence of stationary people have been studied extensively over the past two decades. The understanding of the similar effect of walking people on laterally swaying bridges has improved tremendously in the past decade, due to considerable research prompted by the Millennium Bridge problem. However, there is currently a gap in knowledge about how moving pedestrians affect the dynamic properties of vertically vibrating structures. The key reason for this gap is the scarcity of credible experimental data pertinent to moving pedestrians on vertically vibrating structures, especially for multi-pedestrian traffic. This paper addresses this problem by studying the dynamic properties of the combined human-structure system, i.e. occupied structure damping ratio, natural frequency and modal mass. This was achieved using a comprehensive set of frequency response function records, measured on a full-scale test structure, which was occupied by various numbers of moving pedestrians under different walking scenarios. Contrary to expectations, it was found that the natural frequency of the joint moving human-structure system was higher than that of the empty structure, while it was

  17. Source properties of dynamic rupture pulses with off-fault plasticity

    KAUST Repository

    Gabriel, A.-A.

    2013-08-01

    Large dynamic stresses near earthquake rupture fronts may induce an inelastic response of the surrounding materials, leading to increased energy absorption that may affect dynamic rupture. We systematically investigate the effects of off-fault plastic energy dissipation in 2-D in-plane dynamic rupture simulations under velocity-and-state-dependent friction with severe weakening at high slip velocity. We find that plasticity does not alter the nature of the transitions between different rupture styles (decaying versus growing, pulse-like versus crack-like, and subshear versus supershear ruptures) but increases their required background stress and nucleation size. We systematically quantify the effect of amplitude and orientation of background shear stresses on the asymptotic properties of self-similar pulse-like ruptures: peak slip rate, rupture speed, healing front speed, slip gradient, and the relative contribution of plastic strain to seismic moment. Peak slip velocity and rupture speed remain bounded. From fracture mechanics arguments, we derive a nonlinear relation between their limiting values, appropriate also for crack-like and supershear ruptures. At low background stress, plasticity turns self-similar pulses into steady state pulses, for which plastic strain contributes significantly to the seismic moment. We find that the closeness to failure of the background stress state is an adequate predictor of rupture speed for relatively slow events. Our proposed relations between state of stress and earthquake source properties in the presence of off-fault plasticity may contribute to the improved interpretation of earthquake observations and to pseudodynamic source modeling for ground motion prediction.

  18. Conformational flexibility in calcitonin: The dynamic properties of human and salmon calcitonin in solution

    Energy Technology Data Exchange (ETDEWEB)

    Amodeo, Pietro; Motta, Andrea; Strazzullo, Giuseppe [Istituto per la Chimica di Molecole di Interesse Biologico, Istituto Nazionale di Chimica dei sistemi Biologici del CNR (Italy); Castiglione Morelli, Maria A. [Universita della Basilicata, Dipartimento di Chimica (Italy)

    1999-02-15

    We have studied the dynamic properties of human (h) and salmon (s) calcitonin (CT) in solution. For both hormones, distance geometry in torsion-angle space has been used to generate three-dimensional structures consistent with NMR data obtained in sodium dodecyl sulfate micelles. For sCT and hCT we used, respectively, 356 and 275 interproton distances together with hydrogen-bonds as restraints. To better characterize their flexibility and dynamic properties two fully unrestrained 1100-ps molecular dynamics (MD) simulations in methanol were performed on the lowest-energy structures of both hormones. Statistical analyses of average geometric parameters and of their fluctuations performed in the last 1000 ps of the MD run show typical helical values for residues 9-19 of sCT during the whole trajectory. For hCT a shorter helix was observed involving residues 13-21, with a constant helical region in the range 13-19. Angular order parameters S({phi}) and S({psi}) indicate that hCT exhibits a higher flexibility, distributed along the whole chain, including the helix, while the only flexible amino acid residues in sCT connect three well-defined domains. Finally, our study shows that simulated annealing in torsion-angle space can efficiently be extended to NMR-based three-dimensional structure calculations of helical polypeptides. Furthermore, provided that a sufficient number of NMR restraints describes the system, the method allows the detection of equilibria in solution. This identification occurs through the generation of 'spurious' high-energy structures, which, for right-handed {alpha}-helices, are likely to be represented by left-handed {alpha}-helices.

  19. Dynamic properties of the human vestibulo-ocular reflex during head rotations in roll

    Science.gov (United States)

    Seidman, S. H.; Leigh, R. J.; Tomsak, R. L.; Grant, M. P.; Dell'Osso, L. F.

    1995-01-01

    We investigated the dynamic properties of the human vestibulo-ocular reflex (VOR) during roll head rotations in three human subjects using the magnetic search coil technique. In the first of two experiments, we quantify the behavior of the ocular motor plant in the torsional plane. The subject's eye was mechanically displaced into intorsion, extorsion or abduction, and the dynamic course of return of the eye to its resting position was measured. The mean predominant time constants of return were 210 msec from intorsion, 83 msec from extorsion, and 217 msec from abduction, although there was considerable variability of results from different trials and subjects. In the second experiment, we quantify the efficacy of velocity-to-position integration of the vestibular signal. Position-step stimuli were used to test the torsional or horizontal VOR, being applied with subjects heads erect or supine. After a torsional position-step, the eye drifted back to its resting position, but after a horizontal position-step the eye held its new horizontal position. To interpret these responses we used a simple model of the VOR with parameters of the ocular motor plant set to values determined during Exp 1. The time constant of the velocity-to-position neural integrator was smaller (typically 2 sec) in the torsional plane than in the horizontal plane (> 20 sec). No disconjugacy of torsional eye movements was observed. Thus, the dynamic properties of the VOR in roll differ significantly from those of the VOR in yaw, reflecting different visual demands placed on this reflex in these two planes.

  20. Dynamical properties of a particle in a wave packet: Scaling invariance and boundary crisis

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Diego F.M., E-mail: diegofregolente@gmail.com [CAMTP, Center For Applied Mathematics and Theoretical Physics, University of Maribor, Krekova 2, SI-2000 Maribor (Slovenia); Robnik, Marko, E-mail: robnik@uni-mb.si [CAMTP, Center For Applied Mathematics and Theoretical Physics, University of Maribor, Krekova 2, SI-2000 Maribor (Slovenia); Leonel, Edson D., E-mail: edleonel@rc.unesp.br [Departamento de Estatistica, Matematica Aplicada e Computacao, UNESP, Univ Estadual Paulista, Av. 24A, 1515-Bela Vista, 13506-900 Rio Claro, SP (Brazil)

    2011-10-15

    Highlights: > Acceleration of particles in a wave packet. > The location of the first invariant spanning curve which borders the chaotic sea. > Scaling to characterise the transition from integrability to non-integrability. > The property of area preservation is broken and attractors emerge. > After a tiny increase of the dissipation the system experience a boundary crisis. - Abstract: Some dynamical properties present in a problem concerning the acceleration of particles in a wave packet are studied. The dynamics of the model is described in terms of a two-dimensional area preserving map. We show that the phase space is mixed in the sense that there are regular and chaotic regions coexisting. We use a connection with the standard map in order to find the position of the first invariant spanning curve which borders the chaotic sea. We find that the position of the first invariant spanning curve increases as a power of the control parameter with the exponent 2/3. The standard deviation of the kinetic energy of an ensemble of initial conditions obeys a power law as a function of time, and saturates after some crossover. Scaling formalism is used in order to characterise the chaotic region close to the transition from integrability to nonintegrability and a relationship between the power law exponents is derived. The formalism can be applied in many different systems with mixed phase space. Then, dissipation is introduced into the model and therefore the property of area preservation is broken, and consequently attractors are observed. We show that after a small change of the dissipation, the chaotic attractor as well as its basin of attraction are destroyed, thus leading the system to experience a boundary crisis. The transient after the crisis follows a power law with exponent -2.

  1. Structural and dynamical properties of ionic liquids: the influence of ion size disparity.

    Science.gov (United States)

    Spohr, H V; Patey, G N

    2008-08-14

    The influence of ion size disparity on structural and dynamical properties of ionic liquids is systematically investigated employing molecular dynamics simulations. Ion size ratios are varied over a realistic range (from 1:1 to 5:1) while holding other important molecular and system parameters fixed. In this way we isolate and identify effects that stem from size disparity alone. In strongly size disparate systems the larger species (cations in our model) tend to dominate the structure; the anion-anion distribution is largely determined by anion-cation correlations. The diffusion coefficients of both species increase, and the shear viscosity decreases with increasing size disparity. The influence of size disparity is strongest up to a size ratio of 3:1, then decreases, and by 5:1 both the diffusion coefficients and viscosity appear to be approaching limiting values. The conventional Stokes-Einstein expression for diffusion coefficients holds reasonably well for the cations but fails for the smaller anions as size disparity increases likely due to the neglect of strong anion-cation correlations. The electrical conductivity is not a simple monotonic function of size disparity; it first increases up to size ratios of 2:1, remains nearly constant until 3:1, then decreases such that the conductivities of the 1:1 and 5:1 systems are similar. This behavior is traced to the competing influences of ion diffusion (enhancing) and ion densities (reducing) on conductivities at constant packing fraction. The temperature dependence of the transport properties is examined for the 1:1 and 3:1 systems. In accord with experiment, the temperature dependence of all transport properties is well represented by the Vogel-Fulcher-Tammann equation. The dependence of the diffusion coefficients on the temperature/viscosity ratio is well described by the fractional Stokes-Einstein relation D proportional to (T/eta)(beta) with beta approximately = 0.8, consistent with the exponent observed for

  2. Effect of Rubber Nanoparticle Agglomeration on Properties of Thermoplastic Vulcanizates during Dynamic Vulcanization

    Directory of Open Access Journals (Sweden)

    Hanguang Wu

    2016-04-01

    Full Text Available We previously reported that the dispersed rubber microparticles in ethylene-propylene-diene monomer (EPDM/polypropylene (PP thermoplastic vulcanizates (TPVs are actually agglomerates of rubber nanoparticles. In this study, based on this new understanding of the microstructure of TPV, we further revealed the microstructure-properties relationship of EPDM/PP TPV during dynamic vulcanization, especially the effect of the size of rubber nanoparticle agglomerates (dn, the thicknesses of PP ligaments (IDpoly and the rubber network on the properties of EPDM/PP TPV. We were able to simultaneously obtain a high tensile strength, elongation at break, elastic modulus, and elasticity for the EPDM/PP TPV by the achievement of a smaller dn, a thinner IDpoly and a denser rubber network. Interestingly, the effect of dn and IDpoly on the elastic modulus of EPDM/PP TPV composed of rubber nanoparticle agglomerates is different from that of EPDM/PP TPVs composed of rubber microparticles reported previously. The deformation behavior of the TPVs during stretching was studied to understand the mechanism for the achievement of good mechanical properties. Interestingly, the rubber nanoparticle agglomerates are oriented along the tensile direction during stretching. The TPV samples with smaller and more numerous rubber nanoparticle agglomerates can slow down the development of voids and cracks more effectively, thus leading to increase in tensile strength and elongation at break of the EPDM/PP TPV.

  3. Dynamic performance of a static or throwing droplet impact onto a solid substrate with different properties

    Science.gov (United States)

    Wu, Jie; Li, Ya-Dong

    2016-03-01

    The dynamic performance of a static or throwing droplet impact onto a solid substrate with different properties is numerically studied in this work. After being released or horizontally thrown out, a two-dimensional droplet can fall freely under gravity. The substrate, which is below the droplet, is either hydrophilic/hydrophobic or inhomogeneous. To conduct numerical simulations, a hybrid method is adopted, in which the flow field is solved by using the lattice Boltzmann method and the interface is captured by solving the Cahn-Hilliard equation directly. Given a fixed distance between the droplet and the substrate (H∗), the effects of Bond number (Bo), Weber number (We), and surface property on the performance of droplet impingement are investigated in detail. With the increase of Bond number, the surface coverage area of a static droplet also increases. A hydrophilic surface or an inhomogeneous surface with small advancing/receding angle difference can lead to the breakup of droplet rim due to the bubble entrapment. Moreover, dependent on the Weber number and the surface property, the leading edge rim of a throwing droplet developing on an inhomogeneous surface may break up before or after it contacts the substrate. As a result, compared to the case of static droplet, the surface coverage area will be reduced due to the diffusion of small droplet segment.

  4. Tuning of electronic properties and dynamical stability of graphene oxide with different functional groups

    Science.gov (United States)

    Dabhi, Shweta D.; Jha, Prafulla K.

    2017-09-01

    The structural, electronic and vibrational properties of graphene oxide (GO) with varying proportion of epoxy and hydroxyl functional groups have been studied using density functional theory. The functional groups and oxygen density have an obvious influence on the electronic and vibrational properties. The dependence of band gap on associated functional groups and oxygen density shows a possibility of tuning the band gap of graphene by varying the functional groups as well as oxidation level. The absorption of high oxygen content in graphene leads to the gap opening and resulting in a transition from semimetal to semiconductor. Phonon dispersion curves show no imaginary frequency or no softening of any phonon mode throughout the Brillouin zone which confirms the dynamical stability of all considered GO models. Different groups and different oxygen density result into the varying characteristics of phonon modes. The computed results show good agreement with the experimental observations. Our results present interesting possibilities for engineering the electronic properties of graphene and GO and impact the fabrication of new electronics.

  5. Comparison among monitoring strategies to assess water flow dynamic and soil hydraulic properties in agricultural soils

    Directory of Open Access Journals (Sweden)

    Javier Valdes-Abellan

    2015-03-01

    Full Text Available Abstract Irrigated agriculture is usually performed in semi-arid regions despite scarcity of water resources. Therefore, optimal irrigation management by monitoring the soil is essential, and assessing soil hydraulic properties and water flow dynamics is presented as a first measure. For this purpose, the control of volumetric water content, θ, and pressure head, h, is required. This study adopted two types of monitoring strategies in the same experimental plot to control θ and h in the vadose zone: i non-automatic and more time-consuming; ii automatic connected to a datalogger. Water flux was modelled with Hydrus-1D using the data collected from both acquisition strategies independently (3820 daily values for the automatic; less than 1000 for the non-automatic. Goodness-of-fit results reported a better adjustment in case of automatic sensors. Both model outputs adequately predicted the general trend of θ and h, but with slight differences in computed annual drainage (711 mm and 774 mm. Soil hydraulic properties were inversely estimated from both data acquisition systems. Major differences were obtained in the saturated volumetric water content, θs, and the n and α van Genuchten model shape parameters. Saturated hydraulic conductivity, Ks, shown lower variability with a coefficient of variation range from 0.13 to 0.24 for the soil layers defined. Soil hydraulic properties were better assessed through automatic data acquisition as data variability was lower and accuracy was higher.

  6. Constraining the topology of neural networks to ensure dynamics with symmetry properties

    Science.gov (United States)

    Aguirre, Luis Antonio; Lopes, Rafael A.; Amaral, Gleison F.; Letellier, Christophe

    2004-02-01

    This paper addresses the training of network models from data produced by systems with symmetry properties. It is argued that although general networks are global approximators, in practice some properties such as symmetry are very hard to learn from data. In order to guarantee that the final network will be symmetrical, constraints are developed for two types of models, namely, the multilayer perceptron (MLP) network and the radial basis function (RBF) network. In global modeling problems it becomes crucial to impose conditions for symmetry in order to stand a chance of reproducing symmetry-related phenomena. Sufficient conditions are given for MLP and RBF networks to have a set of fixed points that are symmetrical with respect to the origin of the phase space. In the case of MLP networks such conditions reduce to the absence of bias parameters and the requirement of odd activation functions. This turns out to be important from a dynamical point of view since some phenomena are only observed in the context of symmetry, which is not a structurally stable property. The results are illustrated using bench systems that display symmetry, such as the Duffing-Ueda oscillator and the Lorenz system.

  7. Characteristic of Soil Hydro-Physical Properties and Water Dynamics under Different Vegetation Restoration Types

    Institute of Scientific and Technical Information of China (English)

    MA Zelong; GONG Yuanbo; HU Tingxing

    2006-01-01

    By combining the observation of the soil profile at field and the chemical and physical analysis in laboratory, a study on the hydro-physical properties of soil in six different vegetation types and the dynamics of water content after rain was conducted in Wanchanggou, Guangyuan City to find out the vegetation types with effective water-conservation functions in order to serve the ecological restoration in the low hill heavy rain area upper the Jialing River. Results showed that:the hydro-physical properties of soil in the mixed Alnus cremastogyne and Cupressua Leyland forest (AcCl) were best. But in the depth of 0-20 cm. The properties of soil in the abandoned cropland (Fm) was better than that in the AcCl. The soil bulk densities varied significantly between the layers of 0-20 cm and 20-40 cm in all the six vegetation types except that in the Robinia pseudoacacia shrub forest (RpⅡ), and the changes of the maximum and the capillary moisture capacity between layers were significant only in the Fm and in the AcCl. Of these stands, the AcCl had the shortest water-absorbing period and the strongest moisture changes in the upper layer (0-15 cm). In the same stand, the deeper the soil layer, the slighter the soil moisture varied, and the longer the soil moisture accumulating process lasted.

  8. Structure of Colloidal Flocs in relation to the Dynamic Properties of Unstable Suspension

    Directory of Open Access Journals (Sweden)

    Yasuhisa Adachi

    2012-01-01

    Full Text Available Dynamic behaviors of unstable colloidal dispersions are reviewed in terms of floc formation. Geometrical structure of flocs in terms of chemical conditions and formation mechanics is a key to predict macroscopic transportation properties. The rate of sedimentation and rheological properties can be described with the help of fractal dimension (D that is the function of the number of contacts between clusters (Nc. It is also well known that the application of water soluble polymers and polyelectrolytes, which are usually used as a conditioner or flocculants in colloidal dispersions, critically affects the process of flocculation. The resulted floc structure is also influenced by the application of polymer. In order to reveal the roles of the polymers, the elementary rate process of polymer reaching to colloidal interface and subsequent reconformation process into more stable adsorption state are needed to be analyzed. The properties of permeable flocs and adsorbed polymer (polyelectrolyte layers formed on the colloidal surfaces remain to be worked out in relation to inhomogeneous porous structure and electrokinetics in the future.

  9. Mechanical properties of single-walled carbon nanotubes: a comprehensive molecular dynamics study

    Science.gov (United States)

    Yazdani, Hessam; Hatami, Kianoosh; Eftekhari, Mehdi

    2017-05-01

    There is inconsistent information across the literature related to tensile and compressive mechanical properties of carbon nanotubes (CNTs). This inconsistency arises from different sources such as the technical difficulties associated with testing and measuring the CNTs mechanical properties in the laboratory or the use of different input parameters (e.g. CNT wall thickness or boundary conditions) in numerical simulations. To address this inconsistency, an extensive series of molecular dynamics (MD) simulations is carried out in this study to investigate the influences of major factors including chirality, size, aspect ratio and slenderness ratio of CNTs on their mechanical properties, which have not been examined as extensively in previous studies. Numerical simulations are repeated for different temperatures of 100 K, 300 K and 500 K to investigate the influence of temperature in different practical applications. The agreements between the findings of this study and those from related previous studies are discussed in detail in the paper. Results on compressive behavior show the emergence of secondary and tertiary buckling modes as the slenderness ratio of the CNT increases, especially at higher temperatures. In addition, chiral CNTs are found to buckle at lower stresses and strains. Results on tensile behavior indicate a nonlinear-elastic response for all CNTs examined. Larger-diameter CNTs are found to fail at lower values of tensile stress and strain.

  10. Molecular dynamics study of the structures and properties of RDX/GAP propellant.

    Science.gov (United States)

    Li, Miaomiao; Li, Fengsheng; Shen, Ruiqi; Guo, Xiaode

    2011-02-28

    Molecular dynamics simulations have been performed to investigate well-known energetic material cyclotrimethylene trinitramine (RDX) crystal, glycidyl azide polymer (GAP) and RDX/GAP propellant. The results show that the binding energies on different crystalline surface of RDX change in the order of (0 1 0) > (1 0 0) > (0 0 1). The interactions between RDX and GAP have been analyzed by means of pair correlation functions. The mechanical properties of RDX/GAP propellant, i.e., elastic coefficients, modulus, Cauchy pressure, and Poisson's ratio, etc., have been obtained. It is found that mechanical properties are effectively improved by adding some amounts of GAP polymer, and the overall effect of GAP on three crystalline surfaces of RDX changes in the order of (1 0 0) > (0 1 0) > (0 0 1). The energetic properties of RDX/GAP propellant have also been calculated and the results show that compared with the pure RDX crystal, the standard theoretical specific impulse (I(sp)) of RDX/GAP propellant decrease, but they are still superior to those of double base propellant. Copyright © 2010 Elsevier B.V. All rights reserved.

  11. Mechanical properties of a complete microtubule revealed through molecular dynamics simulation.

    Science.gov (United States)

    Wells, David B; Aksimentiev, Aleksei

    2010-07-21

    Microtubules (MTs) are the largest type of cellular filament, essential in processes ranging from mitosis and meiosis to flagellar motility. Many of the processes depend critically on the mechanical properties of the MT, but the elastic moduli, notably the Young's modulus, are not directly revealed in experiment, which instead measures either flexural rigidity or response to radial deformation. Molecular dynamics (MD) is a method that allows the mechanical properties of single biomolecules to be investigated through computation. Typically, MD requires an atomic resolution structure of the molecule, which is unavailable for many systems, including MTs. By combining structural information from cryo-electron microscopy and electron crystallography, we have constructed an all-atom model of a complete MT and used MD to determine its mechanical properties. The simulations revealed nonlinear axial stress-strain behavior featuring a pronounced softening under extension, a possible plastic deformation transition under radial compression, and a distinct asymmetry in response to the two senses of twist. This work demonstrates the possibility of combining different levels of structural information to produce all-atom models suitable for quantitative MD simulations, which extends the range of systems amenable to the MD method and should enable exciting advances in our microscopic knowledge of biology. Copyright (c) 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  12. Comparison among monitoring strategies to assess water flow dynamic and soil hydraulic properties in agricultural soils

    Energy Technology Data Exchange (ETDEWEB)

    Valdes-Abellan, J.; Jiménez-Martínez, J.; Candela, L.; Tamoh, K.

    2015-07-01

    Irrigated agriculture is usually performed in semi-arid regions despite scarcity of water resources. Therefore, optimal irrigation management by monitoring the soil is essential, and assessing soil hydraulic properties and water flow dynamics is presented as a first measure. For this purpose, the control of volumetric water content, θ, and pressure head, h, is required. This study adopted two types of monitoring strategies in the same experimental plot to control θ and h in the vadose zone: i) non-automatic and more time-consuming; ii) automatic connected to a datalogger. Water flux was modelled with Hydrus-1D using the data collected from both acquisition strategies independently (3820 daily values for the automatic; less than 1000 for the non-automatic). Goodness-of-fit results reported a better adjustment in case of automatic sensors. Both model outputs adequately predicted the general trend of θ and h, but with slight differences in computed annual drainage (711 mm and 774 mm). Soil hydraulic properties were inversely estimated from both data acquisition systems. Major differences were obtained in the saturated volumetric water content, θs, and the n and α van Genuchten model shape parameters. Saturated hydraulic conductivity, Ks, shown lower variability with a coefficient of variation range from 0.13 to 0.24 for the soil layers defined. Soil hydraulic properties were better assessed through automatic data acquisition as data variability was lower and accuracy was higher. (Author)

  13. Temperature-dependent dynamic mechanical properties of magnetorheological elastomers under magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Ju, Benxiang, E-mail: jubenxiang@qq.com [National Instrument Functional Materials Engineering Technology Research Center, Chongqing 400707 (China); Tang, Rui; Zhang, Dengyou; Yang, Bailian [National Instrument Functional Materials Engineering Technology Research Center, Chongqing 400707 (China); Yu, Miao; Liao, Changrong [College of Optoelectronic Engineering, Chongqing University, Chongqing 400044 (China)

    2015-01-15

    Both anisotropic and isotropic magnetorheological elastomer (MRE) samples were fabricated by using as-prepared polyurethane (PU) matrix and carbonyl iron particles. Temperature-dependent dynamic mechanical properties of MRE were investigated and analyzed. Due to the unique structural features of as-prepared matrix, temperature has a greater impact on the properties of as-prepared MRE, especially isotropic MRE. With increasing of temperature and magnetic field, MR effect of isotropic MRE can reach up to as high as 4176.5% at temperature of 80 °C, and the mechanism of the temperature-dependent in presence of magnetic field was discussed. These results indicated that MRE is a kind of temperature-dependent material, and can be cycled between MRE and MR plastomer (MRP) by varying temperature. - Highlights: • Both anisotropic and isotropic MRE were fabricated by using as-prepared matrix. • Temperature-dependent properties of MRE under magnetic field were investigated. • As-prepared MRE can transform MRE to MRP by adjusting temperature.

  14. Equilibrium fluctuations of liquid state static properties in a subvolume by molecular dynamics.

    Science.gov (United States)

    Heyes, D M; Dini, D; Smith, E R

    2016-09-14

    System property fluctuations increasingly dominate a physical process as the sampling volume decreases. The purpose of this work is to explore how the fluctuation statistics of various thermodynamic properties depend on the sampling volume, using molecular dynamics (MD) simulations. First an examination of various expressions for calculating the bulk pressure of a bulk liquid is made, which includes a decomposition of the virial expression into two terms, one of which is the Method of Planes (MOP) applied to the faces of the cubic simulation cell. Then an analysis is made of the fluctuations of local density, temperature, pressure, and shear stress as a function of sampling volume (SV). Cubic and spherical shaped SVs were used within a spatially homogeneous LJ liquid at a state point along the melting curve. It is shown that the MD-generated probability distribution functions (PDFs) of all of these properties are to a good approximation Gaussian even for SV containing only a few molecules (∼10), with the variances being inversely proportional to the SV volume, Ω. For small subvolumes the shear stress PDF fits better to a Gaussian than the pressure PDF. A new stochastic sampling technique to implement the volume averaging definition of the pressure tensor is presented, which is employed for cubic, spherical, thin cubic, and spherical shell SV. This method is more efficient for less symmetric SV shapes.

  15. Lanthanide ion and tetrathiafulvalene-based ligand as a "magic" couple toward luminescence, single molecule magnets, and magnetostructural correlations.

    Science.gov (United States)

    Pointillart, Fabrice; le Guennic, Boris; Cador, Olivier; Maury, Olivier; Ouahab, Lahcène

    2015-11-17

    The synthesis of molecules featuring different properties is a perpetual challenge for the chemists' community. The coexistence and even more the synergy of those properties open new perspectives in the field of molecular devices and molecular electronics. In that sense, coordination chemistry contributed to the development of new functional molecules through, for instance, single-molecule magnets (SMMs) and light emitting molecules with potential applications in high capacity data storage and OLEDs, respectively. The appealing combination of both electronic properties into one single object may offer the possibility to have magnetized luminescent entities at nanometric scale. To that end, lanthanides seem to be one of the key ingredients since their peculiar electronic structures endow them with specific magnetic and luminescence properties. Indeed, lanthanides cover a wide range of emission wavelengths, from infrared to UV, which add up to a large variety of magnetic behaviors, from the fully isotropic spin (e.g., Gd(III)) to highly anisotropic magnetic moments (e.g., Dy(III)). In lanthanide complexes, ligands play a fundamental role because on one hand they govern the orientation of the magnetic moment of anisotropic lanthanides and on the other hand they can sensitize efficiently the luminescence. The design of appropriate organic ligands to elaborate such chemical objects with the desired property appears to be essential but remains a perpetual challenge. In this Account, we describe the design of lanthanide-based complexes that emit light, behave as SMMs, or combine both properties. We have paid peculiar attention to the design of ligands based on the tetrathiafulvalene (TTF) moiety. TTF and its derivatives are well-known chemical entities, stable at different oxidation states, and employed mainly in the synthesis of molecular conductors and superconductors. In addition to their redox properties, TTF-based derivatives act as organic chromophores for the

  16. Synaptic organizations and dynamical properties of weakly connected neural oscillators. I. Analysis of a canonical model.

    Science.gov (United States)

    Hoppensteadt, F C; Izhikevich, E M

    1996-08-01

    We study weakly connected networks of neural oscillators near multiple Andronov-Hopf bifurcation points. We analyze relationships between synaptic organizations (anatomy) of the networks and their dynamical properties (function). Our principal assumptions are: (1) Each neural oscillator comprises two populations of neurons; excitatory and inhibitory ones; (2) activity of each population of neurons is described by a scalar (one-dimensional) variable; (3) each neural oscillator is near a nondegenerate supercritical Andronov-Hopf bifurcation point; (4) the synaptic connections between the neural oscillators are weak. All neural networks satisfying these hypotheses are governed by the same dynamical system, which we call the canonical model. Studying the canonical model shows that: (1) A neural oscillator can communicate only with those oscillators which have roughly the same natural frequency. That is, synaptic connections between a pair of oscillators having different natural frequencies are functionally insignificant. (2) Two neural oscillators having the same natural frequencies might not communicate if the connections between them are from among a class of pathological synaptic configurations. In both cases the anatomical presence of synaptic connections between neural oscillators does not necessarily guarantee that the connections are functionally significant. (3) There can be substantial phase differences (time delays) between the neural oscillators, which result from the synaptic organization of the network, not from the transmission delays. Using the canonical model we can illustrate self-ignition and autonomous quiescence (oscillator death) phenomena. That is, a network of passive elements can exhibit active properties and vice versa. We also study how Dale's principle affects dynamics of the networks, in particular, the phase differences that the network can reproduce. We present a complete classification of all possible synaptic organizations from this

  17. Dynamic and quasi-static mechanical properties of iron-nickel alloy honeycomb

    Science.gov (United States)

    Clark, Justin L.

    Several metal honeycombs, termed Linear Cellular Alloys (LCAs), were fabricated via a paste extrusion process and thermal treatment. Two Fe-Ni based alloy compositions were evaluated. Maraging steel and Super Invar were chosen for their compatibility with the process and the wide range of properties they afforded. Cell wall material was characterized and compared to wrought alloy specifications. The bulk alloy was found to compare well with the more conventionally produced wrought product when porosity was taken into account. The presence of extrusion defects and raw material impurities were shown to degrade properties with respect to wrought alloys. The performance of LCAs was investigated for several alloys and cell morphologies. The results showed that out-of-plane properties exceeded model predictions and in-plane properties fell short due to missing cell walls and similar defects. Strength was shown to outperform several existing cellular metals by as much as an order of magnitude in some instances. Energy absorption of these materials was shown to exceed 150 J/cc at strains of 50% for high strength alloys. Finally, the suitability of LCAs as an energetic capsule was investigated. The investigation found that the LCAs added significant static strength and as much as three to five times improvement in the dynamic strength of the system. More importantly, it was shown that the pressures achieved with the LCA capsule were significantly higher than the energetic material could achieve alone. High pressures, approaching 3 GPa, coupled with the fragmentation of the capsule during impact increased the likelihood of initiation and propagation of the energetic reaction. This multi-functional aspect of the LCA makes it a suitable capsule material.

  18. Computational study of the human dystrophin repeats: interaction properties and molecular dynamics.

    Science.gov (United States)

    Legrand, Baptiste; Giudice, Emmanuel; Nicolas, Aurélie; Delalande, Olivier; Le Rumeur, Elisabeth

    2011-01-01

    Dystrophin is a large protein involved in the rare genetic disease Duchenne muscular dystrophy (DMD). It functions as a mechanical linker between the cytoskeleton and the sarcolemma, and is able to resist shear stresses during muscle activity. In all, 75% of the dystrophin molecule consists of a large central rod domain made up of 24 repeat units that share high structural homology with spectrin-like repeats. However, in the absence of any high-resolution structure of these repeats, the molecular basis of dystrophin central domain's functions has not yet been deciphered. In this context, we have performed a computational study of the whole dystrophin central rod domain based on the rational homology modeling of successive and overlapping tandem repeats and the analysis of their surface properties. Each tandem repeat has very specific surface properties that make it unique. However, the repeats share enough electrostatic-surface similarities to be grouped into four separate clusters. Molecular dynamics simulations of four representative tandem repeats reveal specific flexibility or bending properties depending on the repeat sequence. We thus suggest that the dystrophin central rod domain is constituted of seven biologically relevant sub-domains. Our results provide evidence for the role of the dystrophin central rod domain as a scaffold platform with a wide range of surface features and biophysical properties allowing it to interact with its various known partners such as proteins and membrane lipids. This new integrative view is strongly supported by the previous experimental works that investigated the isolated domains and the observed heterogeneity of the severity of dystrophin related pathologies, especially Becker muscular dystrophy.

  19. Computational study of the human dystrophin repeats: interaction properties and molecular dynamics.

    Directory of Open Access Journals (Sweden)

    Baptiste Legrand

    Full Text Available Dystrophin is a large protein involved in the rare genetic disease Duchenne muscular dystrophy (DMD. It functions as a mechanical linker between the cytoskeleton and the sarcolemma, and is able to resist shear stresses during muscle activity. In all, 75% of the dystrophin molecule consists of a large central rod domain made up of 24 repeat units that share high structural homology with spectrin-like repeats. However, in the absence of any high-resolution structure of these repeats, the molecular basis of dystrophin central domain's functions has not yet been deciphered. In this context, we have performed a computational study of the whole dystrophin central rod domain based on the rational homology modeling of successive and overlapping tandem repeats and the analysis of their surface properties. Each tandem repeat has very specific surface properties that make it unique. However, the repeats share enough electrostatic-surface similarities to be grouped into four separate clusters. Molecular dynamics simulations of four representative tandem repeats reveal specific flexibility or bending properties depending on the repeat sequence. We thus suggest that the dystrophin central rod domain is constituted of seven biologically relevant sub-domains. Our results provide evidence for the role of the dystrophin central rod domain as a scaffold platform with a wide range of surface features and biophysical properties allowing it to interact with its various known partners such as proteins and membrane lipids. This new integrative view is strongly supported by the previous experimental works that investigated the isolated domains and the observed heterogeneity of the severity of dystrophin related pathologies, especially Becker muscular dystrophy.

  20. Orbital-free molecular dynamics simulations of transport properties in dense-plasma uranium

    Science.gov (United States)

    Kress, J. D.; Cohen, James S.; Kilcrease, D. P.; Horner, D. A.; Collins, L. A.

    2011-09-01

    We have calculated the self-diffusion coefficients and shear viscosity of dense-plasma uranium using orbital-free molecular dynamics (OFMD) at the Thomas-Fermi-Dirac level. The transport properties of uranium in this regime have not previously been investigated experimentally or theoretically. The OFMD calculations were performed for temperatures from 50 to 5000 eV and densities from ambient to 10 times compressed. The results are compared with the one-component-plasma (OCP) model, using effective charges given by the average-atom code INFERNO and by the regularization procedure from the OFMD method. The latter generally showed better agreement with the OFMD for viscosity and the former for diffusion. A Stokes-Einstein relationship of the OFMD viscosities and diffusion coefficients is found to hold fairly well with a constant of 0.075 ± 0.10, while the OCP/INFERNO model yields 0.13 ± 0.10.

  1. Lattice dynamics and ferroelectric properties of the nitride perovskite LaWN3

    Science.gov (United States)

    Fang, Yue-Wen; Fisher, Craig A. J.; Kuwabara, Akihide; Shen, Xin-Wei; Ogawa, Takafumi; Moriwake, Hiroki; Huang, Rong; Duan, Chun-Gang

    2017-01-01

    Using first-principles calculations we examine the crystal structures and phase transitions of nitride perovskite LaWN3. Lattice dynamics calculations indicate that the ground-state structure belongs to space group R 3 c . Two competitive phase transition pathways are identified which are characterized by symmetry-adapted distortion modes. The results suggest that R 3 c LaWN3 should be an excellent ferroelectric semiconductor, as its large spontaneous polarization of around 61 μ C /cm2 is comparable to that of PbTiO3, and its band gap is about 1.72 eV. Ferroelectricity is found to result from the B -site instability driven by hybridization between W -5 d and N -2 p orbitals. These properties make LaWN3 an attractive candidate material for use in ferroelectric memory devices and photovoltaic cells.

  2. Influence of Dzialoshinskii–Moriya interaction on static and dynamic properties of a transverse domain wall

    Energy Technology Data Exchange (ETDEWEB)

    Kravchuk, Volodymyr P., E-mail: vkravchuk@bitp.kiev.ua

    2014-10-01

    It is shown that the Dzialoshinskii–Moriya interaction leads to asymmetrical deformation of the transverse domain wall profile in one-dimensional biaxial magnet. Amplitude of the deformation is linear with respect to the Dzialoshinskii constant D. Corrections caused by the Dzialoshinskii–Moriya interaction are obtained for the number of the domain wall parameters: energy density, Döring mass, and Walker field. The modified q–Φ model with an additional pair of conjugated collective variables is proposed for studying the dynamical properties of the wall with taking into account the internal degrees of freedom. - Highlights: • Dzialoshinskii–Moriya interaction deforms the domain wall profile asymmetrically. • Extended model with 2 pairs of collective variables is proposed for a domain wall. • The Walker field is slightly changed due to the Dzialoshinskii–Moriya interaction.

  3. Dynamical Properties of a Single-Mode Laser Driven by Quadratic Pump Noise

    Institute of Scientific and Technical Information of China (English)

    ZHANG Li; CAO Li

    2007-01-01

    We propose a single-mode laser model driven by quadratic pump noise with cross correlation between the real and imaginary parts of the pump noise. The effect of the cross-correlation coefficient λp between the real and imaginary parts of the pump noise on dynamical properties is studied by using of the linear approximation. The theoretical expressions of intensity correlation function λ(t), normalized intensity fluctuation λ(0) are calculated.It is found that the most conspicuous effects of λp on both the intensity correlation function and the normalized intensity fluctuation appear at |λp| = √0.5, but not at |λp| = 1.

  4. Enhancement of dynamic wetting properties by direct fabrication on robust micro-micro hierarchical polymer surfaces

    Science.gov (United States)

    Chu, Donghui; Nemoto, Akihiko; Ito, Hiroshi

    2014-05-01

    Understanding evaporation phenomena on hierarchical surfaces is of crucial importance for the design of robust superhydrophobic polymer structures for various applications. This fabrication method enables precise control of the dimensions to elucidate the dynamic wetting behavior affected by geometric parameters. That behavior exhibits three distinct evaporation modes: a constant contact line (CCL), a constant contact angle (CCA), and mixed mode during the droplet evaporation. The droplet evaporation results show that the sticky CCL mode and the Cassie-Wenzel transition can be prevented by engineering hierarchy integration. Moreover, the CCL-CCA transition point time scale exhibits remarkable dependence on surface dimensions such as the area fraction and solid-liquid contact line. Finally, the fabricated hierarchical structures indicate remarkable superhydrophobic properties, static contact angle above 160° and low sliding angle under 10°, with good durability in terms of aging effect and mechanical robustness for 2 months.

  5. Glass-to-Rubber Transition of Polymer Thin Films and Their Surface Dynamical Properties

    Institute of Scientific and Technical Information of China (English)

    X.P.Wang; H.F.Zhang; Xudong Xiao; Ophelia K.C.Tsui

    2000-01-01

    @@ Glass-to-rubber transition temperature, Tg' of polystyrene(PS) (Mw=500K, Mw/Mn=1.03)thin films (thickness, d= 100 to 2000 A) deposited on Si with native oxide was determined by variable angle spectroscopic ellipsometry(VASE. We observed that the Tg of the polymer films decreased monotonically as the film thickness was decreased. It had previously been proposed that this was due to a highly mobile surface rubbery layer that existed even well below Tg' We used atomic force microscopic(AFM)adhesion measurement as a direct probe to investigate the surface dynamical properties of the PS samples and a thin film ofpoly(tert-butyl acrylate) (PtBA) (Mw= 148K, Mw/Mn=17, and Tg bullk=50℃). By comparing the AFM results and those obtained from shear modulus measurements of a bulk sample, we found no enhancement in the molecular relaxation at the free surface of these samples.

  6. Uncertainty analysis for dynamic properties of MEMS resonator supported by fuzzy arithmetics

    Directory of Open Access Journals (Sweden)

    A Martowicz

    2016-04-01

    Full Text Available In the paper the application of uncertainty analysis performed formicroelectromechanical resonator is presented. Main objective ofundertaken analysis is to assess the propagation of considered uncertaintiesin the variation of chosen dynamic characteristics of Finite Element model ofmicroresonator. Many different model parameters have been assumed tobe uncertain: geometry and material properties. Apart from total uncertaintypropagation, sensitivity analysis has been carried out to study separateinfluences of all input uncertain characteristics. Uncertainty analysis has beenperformed by means of fuzzy arithmetics in which alpha-cut strategy hasbeen applied to assemble output fuzzy number. Monte Carlo Simulation andGenetic Algorithms have been employed to calculate intervals connectedwith each alpha-cut of searched fuzzy number. Elaborated model ofmicroresonator has taken into account in a simplified way the presence ofsurrounding air and constant electrostatic field.

  7. Perturbed Angular Correlation (PAC)/NMR spectroscopic properties and dynamics of compounds containing metal ions

    DEFF Research Database (Denmark)

    Arcisauskaité, Vaida

    steps towards understanding how Zn(II) reaches its target position in biological systems in vivo and in vitro experiments in aqueous solution, is the detailed investigation of water exchange reactions for Zn(II)(aq). A very advanced (albeit not complete) picture of structure and dynamics of solvated Zn......199mHg PAC and 199Hg NMR spectroscopic properties, nuclear quadrupole coupling constants, Q, asymmetry parameters, , and chemical shifts, , respectively, are the fingerprint of the local molecular and electronic structure, at the probed Hg nuclei. For this reason, these spectroscopic techniques...... compounds in terms of the atomic constituents. The analysis provided a chemophysical interpretation of changes in Vzz upon structural distortions and ligand exchange. The gained insights can be useful when predicting and understanding changes in Q values for Hg binding sites in proteins. One of the first...

  8. Dynamic properties of ionospheric plasma turbulence driven by high-power high-frequency radiowaves

    Science.gov (United States)

    Grach, S. M.; Sergeev, E. N.; Mishin, E. V.; Shindin, A. V.

    2017-02-01

    A review is given of the current state-of-the-art of experimental studies and the theoretical understanding of nonlinear phenomena that occur in the ionospheric F-layer irradiated by high-power high-frequency ground-based transmitters. The main focus is on the dynamic features of high-frequency turbulence (plasma waves) and low-frequency turbulence (density irregularities of various scales) that have been studied in experiments at the Sura and HAARP heating facilities operated in temporal and frequency regimes specially designed with consideration of the characteristic properties of nonlinear processes in the perturbed ionosphere using modern radio receivers and optical instruments. Experimental results are compared with theoretical turbulence models for a magnetized collisional plasma in a high-frequency electromagnetic field, allowing the identification of the processes responsible for the observed features of artificial ionospheric turbulence.

  9. Dynamic properties of magnets with spin S = 3/2 and non-Heisenberg isotropic interaction

    Energy Technology Data Exchange (ETDEWEB)

    Kosmachev, O. A.; Fridman, Yu. A., E-mail: yuriifridman@gmail.com [Vernadsky Taurida National University (Russian Federation); Galkina, E. G. [National Academy of Sciences of Ukraine, Institute of Physics (Ukraine); Ivanov, B. A. [National Academy of Sciences of Ukraine, Institute of Magnetism (Ukraine)

    2015-02-15

    The dynamic properties of a magnet with magnetic-ion spin of 3/2 and an isotropic spin interaction of a general form have been investigated. Only four phase states can be realized in the system under consideration at various relationships between the material parameters: the ferro- and antiferromagnetic phases with saturated spin and the states with tensor order parameters, the nematic and antinematic ones. For these phases, the spontaneous symmetry breaking is determined by the octupole order parameter containing the mean values trilinear in spin operator components at a given site. The spectra of elementary excitations have been determined in all phases. Additional branches of excitations arise in all four phase states.

  10. ARTICLES: Dissipative Particle Dynamics Simulation of Microscopic Properties in Diblock Copolymer Films

    Science.gov (United States)

    Xu, Yi; Song, Xiao-yu; Zhang, Zhang; Wang, Yong; Chen, Jie; Zhu, Xian

    2010-06-01

    Mean-square bond length, root-mean-square end-to-end distance and gyration radius in diblock copolymer films have been studied by dissipative particle dynamics simulations. Results show evident linear trends of any property separately with the thickness of film, the interaction between particles of different types, the repulsion between particle and boundary, except for the dependence of the variations of mean-square bond length on the thickness of film, which exhibits as a wave trend. What's more, the varying trends of mean-square bond length and root-mean-square end-to-end distance can correspond to each other. The density distribution of either component in diblock copolymer film can be controlled and adjusted effectively through its interaction with boundary.

  11. Realistic Many-Body Quantum Systems vs. Full Random Matrices: Static and Dynamical Properties

    Science.gov (United States)

    Torres-Herrera, Eduardo; Karp, Jonathan; Távora, Marco; Santos, Lea

    2016-10-01

    We study the static and dynamical properties of isolated many-body quantum systems and compare them with the results for full random matrices. In doing so, we link concepts from quantum information theory with those from quantum chaos. In particular, we relate the von Neumann entanglement entropy with the Shannon information entropy and discuss their relevance for the analysis of the degree of complexity of the eigenstates, the behavior of the system at different time scales and the conditions for thermalization. A main advantage of full random matrices is that they enable the derivation of analytical expressions that agree extremely well with the numerics and provide bounds for realistic many-body quantum systems.

  12. Stationary and dynamical properties of finite N-unit Langevin models subjected to multiplicative noises

    Science.gov (United States)

    Hasegawa, Hideo

    2007-02-01

    We have studied the finite N-unit Langevin model subjected to multiplicative noises, by using the augmented moment method (AMM), as a continuation of our previous paper [H. Hasegawa, J. Phys. Soc. Japan 75 (2006) 033001]. Effects of couplings on stationary and dynamical properties of the model have been investigated. The difference and similarity between the results of diffusive and sigmoid couplings are studied in details. Time dependences of average and fluctuations in local and global variables calculated by the AMM are in good agreement with those of direct simulations (DSs). We also discuss stationary distributions of local and global variables with the use of the Fokker-Planck equation (FPE) method and DSs. It is demonstrated that stationary distributions show much variety when multiplicative noise and external inputs are taken into account.

  13. Realistic Many-Body Quantum Systems vs. Full Random Matrices: Static and Dynamical Properties

    Directory of Open Access Journals (Sweden)

    Eduardo Jonathan Torres-Herrera

    2016-10-01

    Full Text Available We study the static and dynamical properties of isolated many-body quantum systems and compare them with the results for full random matrices. In doing so, we link concepts from quantum information theory with those from quantum chaos. In particular, we relate the von Neumann entanglement entropy with the Shannon information entropy and discuss their relevance for the analysis of the degree of complexity of the eigenstates, the behavior of the system at different time scales and the conditions for thermalization. A main advantage of full random matrices is that they enable the derivation of analytical expressions that agree extremely well with the numerics and provide bounds for realistic many-body quantum systems.

  14. Research on properties of carbon black/polypropylene composites by dynamic injection molding

    Science.gov (United States)

    Wu, Ming-Chun; He, Guang-Jian; Huang, Zhao-Xia; Zhou, Li-Ying; He, He-Zhi

    2016-03-01

    Polymer composites filled with conductive carbon black (CB) are gaining popularity for electromagnetic shielding applications. Dynamic injection molding method was adopted to study the influences of vibration force field on electrical properties of polypropylene/CB composites. The results showed that the percolation phenomenon of conductivity of composites occurred at 15wt% and the calculated SE was positive correlated with the variation trend of conductivity. The calculated SE of composite was more than 30dB at a CB concentration of 30wt%, which could obtain good shielding effects. The result could offer optimum vibration parameters for producing electromagnetic shielding composites by respectively changing the amplitudes and frequencies of the vibration force field.

  15. The dynamic properties of shock-waves formed during laser ablation at sub-atmospheric pressures

    Science.gov (United States)

    Kapitan, D.; Coutts, D. W.

    2002-01-01

    The Sedov-Taylor-von Neumann (STN) theory has been shown to accurately describe the dynamic properties of shock-waves generated during pulsed-laser ablation of solid aluminium targets at visible wavelengths (510/578 nm) with 40 ns pulses with energies up to 3.5 mJ. A ballistic pendulum is used to measure the integrated recoil pressure in various inert atmospheres (He, Ne, Ar, Kr, Xe, N2, CO2, SF6) with pressures of 10-2 - 103 mbar. This recoil momentum is found to scale linearly with the background gas pressure P1 and with the square root of the molecular weight M1. More interestingly, the scaling with the ratio of heat capacities γ is verified to be a monotonically increasing function dependent on the form factor of the shock-wave. The validity of a modified STN theory which accounts for the piston mass is assessed.

  16. Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study

    Science.gov (United States)

    Dabhi, Shweta D.; Gupta, Sanjay D.; Jha, Prafulla K.

    2014-05-01

    We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in the dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.

  17. Dynamic mechanical properties of PTFE-based composites filled with multi-component

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    To improve performance of PTFE-based damping material, composites with several fillers were prepared by compressing and sintering. The dynamic mechanical properties of the composites were investigated by means of viscoanalyser. Temperature-dependent loss factors, storage modulus and loss modulus were obtained.And SEM was employed to study the compatibility between PTFE and fillers. The results show that, when blending PPS and PEEK at proper content, the loss factor curve appears double peaks, which can widen the high-damping temperature region of the composites. Blending graphite or alumina can increase the storage modulus obviously, but decrease the value of loss factor. And because graphite or alumina combines with matrix poorly, glide would happen at interface when bearing external load. The interface friction can dissipate vibration energy, which increases the loss modulus of the composites. Blending PPS, PEEK and graphite or alumina at right content, PTFE-based composites can meet demands as damping material in practical engineering.

  18. Collective dynamics of actomyosin cortex endow cells with intrinsic mechanosensing properties

    CERN Document Server

    Étienne, Jocelyn; Fouchard, Jonathan; Bufi, Nathalie; Durand-Smet, Pauline; Asnacios, Atef

    2014-01-01

    Living cells adapt and respond actively to the mechanical properties of their environment. In addition to biochemical mechanotransduction, evidence exists for a myosin-dependent, purely mechanical sensitivity to the stiffness of the surroundings at the scale of the whole cell. Using a minimal model of the dynamics of actomyosin cortex, we show that the interplay of myosin power strokes with the rapidly remodelling actin network results in a regulation of force and cell shape that adapts to the stiffness of the environment. Instantaneous changes of the environment stiffness are found to trigger an intrinsic mechanical response of the actomyosin cortex. Cortical retrograde flow resulting from actin polymerisation at the edges is shown to be modulated by the stress resulting from myosin contractility, which in turn regulates the cell size in a force-dependent manner. The model describes the maximum force that cells can exert and the maximum speed at which they can contract, which are measured experimentally. The...

  19. Dynamic properties of a pulse-pumped fiber laser with a short, high-gain cavity

    Science.gov (United States)

    Yang, Chaolin; Guo, Junhong; Wei, Pu; Wan, Hongdan; Xu, Ji; Wang, Jin

    2016-09-01

    We demonstrate a pulsed high-gain all-fiber laser without intracavity modulators, where a short and heavily Erbium-doped fiber is used as the gain medium in a ring cavity. By pulsed-pumping this short high gain cavity and tuning an intracavity variable optical coupler, the laser generates optical pulses with a pulse-width of μs at a repetition rate in the order of kHz down to one-shot operation. Furthermore, dynamic properties of this laser are investigated theoretically based on a traveling-wave-model, in which an adaptive-discrete-grid-finite-difference-method is applied. The simulation results validate the experimental results. The demonstrated pulsed laser is compact, flexible and cost-effective, which will have great potential for applications in all-optical sensing and communication systems.

  20. Exploiting the dynamic properties of covalent modification cycle for the design of synthetic analog biomolecular circuitry.

    Science.gov (United States)

    Foo, Mathias; Sawlekar, Rucha; Bates, Declan G

    2016-01-01

    Cycles of covalent modification are ubiquitous motifs in cellular signalling. Although such signalling cycles are implemented via a highly concise set of chemical reactions, they have been shown to be capable of producing multiple distinct input-output mapping behaviours - ultrasensitive, hyperbolic, signal-transducing and threshold-hyperbolic. In this paper, we show how the set of chemical reactions underlying covalent modification cycles can be exploited for the design of synthetic analog biomolecular circuitry. We show that biomolecular circuits based on the dynamics of covalent modification cycles allow (a) the computation of nonlinear operators using far fewer chemical reactions than purely abstract designs based on chemical reaction network theory, and (b) the design of nonlinear feedback controllers with strong performance and robustness properties. Our designs provide a more efficient route for translation of complex circuits and systems from chemical reactions to DNA strand displacement-based chemistry, thus facilitating their experimental implementation in future Synthetic Biology applications.

  1. Investigation of the Static and Dynamic Mechanical Properties of Nano-scale Water

    Science.gov (United States)

    Stambaugh, Corey; Kwon, Soyoung; Jhe, Wonho

    2011-03-01

    The behavior of liquids on the nano-scale has become an area of interest as new fabrication techniques have allowed for increasingly smaller structures to be made. While much work has been done on the interactions forces at liquid and solid interfaces, questions still remain regarding the behavior of nano-scale liquids. By incorporating a micro-electromechanical force sensor (MEMS) into the quartz tuning fork based atomic force microscope (QTF-AFM) probe setup we are able to both manipulate and measure nano-scale water, which in turn provides information beyond the standard AFM approach. Here we look at both the static and dynamic mechanical properties of water formed between the tip of a (QTF-AFM) probe and the polysilicon surface of a MEMS device. Work supported by NSF grant OISE #0853104.

  2. Molecular structure-property correlations from optical nonlinearity and thermal-relaxation dynamics.

    Science.gov (United States)

    Bhattacharyya, Indrajit; Priyadarshi, Shekhar; Goswami, Debabrata

    2009-02-01

    We apply ultrafast single beam Z-scan technique to measure saturation absorption coefficients and nonlinear-refraction coefficients of primary alcohols at 1560 nm. The nonlinear effects result from vibronic transitions and cubic nonlinear-refraction. To measure the pure total third-order nonlinear susceptibility, we removed thermal effects with a frequency optimized optical-chopper. Our measurements of thermal-relaxation dynamics of alcohols, from 1560 nm thermal lens pump and 780 nm probe experiments revealed faster and slower thermal-relaxation timescales, respectively, from conduction and convection. The faster timescale accurately predicts thermal-diffusivity, which decreases linearly with alcohol chain-lengths since thermal-relaxation is slower in heavier molecules. The relation between thermal-diffusivity and alcohol chain-length confirms structure-property relationship.

  3. A harmonious unifying hybrid preferential model and its universal properties for complex dynamical networks

    Institute of Scientific and Technical Information of China (English)

    FANG JinQing; BI Qiao; LI Yong; LU XinBiao; LIU Qiang

    2007-01-01

    To describe the real world which is a harmonious unification world with both determinism and randomness, we propose a harmonious unifying hybrid preferential model (HUHPM) of a certain class of complex dynamical networks. HUHPM is governed only by the total hybrid ratio dlr according to the practical need. As some typical examples, the concepts and methods of the HUHPM are applied to the un-weighted BA model proposed by Barabási et al., the weighted BBV model proposed by Barat et al. and the weighted TDE model proposed by Wang et al. to get the so-called HUHPM-BA network, HUHPM-BBV network and HUHPM-TDE network.These HUHPM networks are investigated both analytically and numerically. It is found that the HUHPM reveals several universal properties, which more approach to the real-world networks for both un-weighted and weighted networks and have potential for applications.

  4. Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study

    Energy Technology Data Exchange (ETDEWEB)

    Dabhi, Shweta D. [Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar 364001 (India); Gupta, Sanjay D. [V. B. Institute of Science, Department of Physics, C. U. Shah University, Wadhwan City - 363030, Surendranagar (India); Jha, Prafulla K., E-mail: prafullaj@yahoo.com [Department of Physics, Faculty of Science, The Maharaja Sayajirao University of Baroda, Vadodara-390002 (India)

    2014-05-28

    We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in the dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.

  5. Experiment of dynamic property and transient magnetic effects of coal during deformation and fracture

    Institute of Scientific and Technical Information of China (English)

    LI Cheng-wu; WEI Shan-yang; WANG Xue-ying; LIU Ji-kun; LEI Dong-ji

    2012-01-01

    Combining separated SHPB test device of φ50 mm with ZDKT-type 1 transient magnetic resonance test system,long drop bar of 400 mm was used to impact coal specimens at four different speeds:1.275,3.287,6.251,and 7.404 m/s.The change in waveform,the dynamic mechanical properties,and the generated effect of transient field during the coal deformation and fracture under the loads were discussed and analyzed.While magnetic signals during the coal fracture firstly needed EEMD,decomposition then had a FFT with Data Demon.The main results of the experiment are the following:the main frequency of magnetic signals was between 220 and 450 kHz and the instantaneous frequency during the damage of coal would have the instantaneous jump.

  6. On Mechanical Properties of Graphene Sheet Estimated Using Molecular Dynamics Simulations

    Science.gov (United States)

    Das, D. K.; Ghosh, M. M.

    2017-09-01

    This work reports estimation of mechanical properties, particularly Young's modulus of a single-layered graphene sheet by molecular dynamics (MD) simulation-based four different approaches, viz. tensile modeling, bending modeling, oscillation modeling and equilibrium MD modeling. The Young's modulus is estimated to be of the order of some TPa. The equilibrium MD method has yielded a Young's modulus value lower than the other non-equilibrium methods, due to the absence of any external forcing factor. Among the non-equilibrium MD methods, the bending modeling is found to predict the highest value of Young's modulus. Comparison among different non-equilibrium methods has established the effect of strain rate on the estimated value of the Young's modulus. The MD simulation-based approaches adopted here can be useful for the design of graphene and graphene-based materials in advanced mechanical applications.

  7. Effect of surface modification and hybridization on dynamic mechanical properties of Roystonea regia/glass–epoxy composites

    Indian Academy of Sciences (India)

    Govardhan Goud; R N Rao

    2012-12-01

    The paper evaluates effect of fibre surface modification and hybridization on dynamic mechanical properties of Roystonea regia/epoxy composites. Surface modification involved alkali and silane treatments. Alkali treatment proved to be more effective on dynamic mechanical properties as compared to silane treatment. Storage and loss modulus values increased after treatments with simultaneous decrease in tan values. Roystonea regia and glass fibres were used together with varying proportions as reinforcement in epoxy matrix to study the hybridization effect on dynamic mechanical properties. Storage and loss modulus values increased with increase in glass fibre content whereas tan values were found to decrease. Scanning electron microscopy of tensile fractured surfaces was carried out to study the interface adhesion of different composites.

  8. Influence of pile–soil interaction on the dynamic properties of offshore wind turbines supported by jacket foundations

    DEFF Research Database (Denmark)

    Yi, Jin-Hak; Kim, Sun-Bin; Yoon, Gil-Lim;

    2015-01-01

    are conventionally used in the oil and gas industry. However, there are still several issues unsolved for utilization of jacket structures for OWTs including pile–soil-interaction (PSI) effects, dynamically stable design, installation, and so on. In this study,the effects of pile–soil interaction on the dynamic...... properties of jacketsupported OWTs are investigated. The jacket structure is modeled as a four-legged multi-member structure with vertical pre-piles, and the PSI effects on dynamic properties of the structure are evaluated using Monte Carlo simulation considering uncertainties in soil properties.......Monopiles are the most widely utilized foundation for offshore wind turbines (OWTs) in shallow waters. However, jacket-type foundations are being considered as one of the good alternatives to monopole foundations for relatively deep water in the range of 25–50 m of water depth. Jacket structures...

  9. Structural, Dynamical, and Electronic Transport Properties of Modified DNA Duplexes Containing Size-Expanded Nucleobases

    Energy Technology Data Exchange (ETDEWEB)

    Fuentes-Cabrera, Miguel A [ORNL; Orozco, Modesto [Institut de Recerca Biomedica, Parc Cientific de Barcelona, Barcelona, Spain; Luque, Javier [Universitat de Barcelona; Sumpter, Bobby G [ORNL; Blas, Jose [Universidad de Castilla-La Mancha; Ordejon, Pablo J [ORNL; Huertas, Oscar [Universitat de Barcelona; Tabares, Carolina [Universitat de Barcelona

    2011-01-01

    Among the distinct strategies proposed to expand the genetic alphabet, sizeexpanded nucleobases are promising for the development of modified DNA duplexes with improved biotechnological properties. In particular, duplexes built up by replacing canonical bases with the corresponding benzo-fused counterparts could be valuable as molecular nanowires. In this context, this study reports the results of classical molecular dynamics simulations carried out to examine the structural and dynamical features of size-expanded DNAs, including both hybrid duplexes containing mixed pairs of natural and benzo-fused bases (xDNA) and pure size-expanded (xxDNA) duplexes. Furthermore, the electronic structure of both natural and size-expanded duplexes is examined by means of density functional computations. The results confirm that the structural and flexibility properties of the canonical DNA are globally little affected by the presence of benzo-fused bases. Themost relevant differences are found in the enhanced size of the grooves, and the reduction in the twist. However, the analysis also reveals subtle structural effects related to the nature and sequence of benzo-fused bases in the duplex. On the other hand, electronic structure calculations performed for xxDNAs confirm the reduction in the HOMOLUMO gap predicted from the analysis of the natural bases and their size-expanded counterparts, which suggests that pure size-expanded DNAs can be good conductors. A more complex situation is found for xDNAs, where fluctuations in the electrostatic interaction between base pairs exerts a decisive influence on the modulation of the energy gap.

  10. Modeling interacting dynamic networks: III. Extraordinary properties in a population of extreme introverts and extroverts

    CERN Document Server

    Liu, Wenjia; Bassler, Kevin E; Schmittmann, Beate; Zia, Royce K P

    2014-01-01

    Recently, we introduced dynamic networks with preferred degrees, showing that interesting properties are present in a single, homogeneous system as well as one with two interacting networks. While simulations are readily performed, analytic studies are challenging, due mainly to the lack of detailed balance in the dynamics. Here, we consider the two-community case in a special limit: a system of extreme introverts and extroverts - the XIE model. Surprising phenomena appear, even in this minimal model, where the only control parameters are the numbers of each subgroup: $N_{I,E}$. Specifically, an extraordinary transition emerges when $N_I$ crosses $N_E$. For example, the fraction of total number of I-E links jumps from $\\thicksim 0$ to $\\thicksim 1$. In a $N_I=N_E$ system, this fraction performs a pure random walk so that its distribution displays a flat plateau across most of $[0,1]$, with the edges vanishing as $(N_{I,E})^{-0.38}$ for large systems. Thus, we believe the XIE model exhibits an extreme Thouless...

  11. Molecular dynamics simulation of the structural, elastic, and thermal properties of pyrochlores

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Liyuan; Li, Yuhong; Devanathan, Ram; Gao, Fei

    2016-04-28

    We present a comprehensive simulation study of the effect of composition on the structural, elastic and thermal properties of 25 different compounds from the pyrochlore family. We joined a repulsive potential to an existing interatomic potential to enable molecular dynamics simulations of conditions away from equilibrium. We systematically varied the chemistry of the pyrochlore by substituting different cations in the A and B sites of the A2B2O7 formula unit. The A cations varied from Lu3+ to La3+, and the B cations from Ti4+ to Ce4+. The lattice parameter increased steadily with increasing the radius of A or B cations, but the bulk modulus showed a decreasing trend with increasing cation radius. However, the specific heat capacity and thermal expansion coefficient remained almost unchanged with increasing the radii of A and B cations. It is of interest to note that Ce on the B site significantly reduces the specific heat capacity and thermal expansion coefficient, which could have implications for annealing of radiation damage in cerate pyrochlores. The present results are consistent with the experimental measurements, which validates these potentials for simulation of dynamical processes, such as radiation damage, in pyrochlores.

  12. Adaptive Real-Time Estimation on Road Disturbances Properties Considering Load Variation via Vehicle Vertical Dynamics

    Directory of Open Access Journals (Sweden)

    Wuhui Yu

    2013-01-01

    Full Text Available Vehicle dynamics are directly dependent on tire-road contact forces and torques which are themselves dependent on the wheels’ load and tire-road friction characteristics. An acquisition of the road disturbance property is essential for the enhancement of vehicle suspension control systems. This paper focuses on designing an adaptive real-time road profile estimation observer considering load variation via vehicle vertical dynamics. Firstly, a road profile estimator based on a linear Kalman filter is proposed, which has great advantages on vehicle online control. Secondly, to minimize the estimation errors, an online identification system based on the Recursive Least-Squares Estimation is applied to estimate sprung mass, which is used to refresh the system matrix of the adaptive observer to improve the road estimation efficiency. Last, for mining road category from the estimated various road profile sequencse, a road categorizer considering road frequency and amplitude simultaneously is approached and its efficiency is validated via numerical simulations, in which the road condition is categorized into six special ranges, and this road detection strategy can provide the suspension control system with a better compromise for the vehicle ride comfort, handling, and safety performance.

  13. Steady-state property and dynamics in graphene-nanoribbon-array lasers

    Science.gov (United States)

    Zhao, Xing-Hai; Shan, Guang-Cun; Shek, Chan-Hung

    2012-10-01

    In this work, we present a schematic configuration and device model for a graphene-nanoribbon (GNR)-array-based nanolaser, which consists of a three-variable rate equations that takes into account carrier capture and Pauli blocking in semiconductor GNR-array lasers to analyze the steady-state properties and dynamics in terms of the role of the capture rate and the gain coefficient in GNR array nanolasers. Furthermore, our GNR-array nanolaser device model can be determined as two distinct two-variable reductions of the rate equations in the limit of large capture rates, depending on their relative values. The first case leads to the rate equations for quantum well lasers, exhibiting relaxation oscillations dynamics. The second case corresponds to GNRs nearly saturated by the carriers and is characterized by the absence of relaxation oscillations. Our results here demonstrated that GNR-array as gain material embedded into a high finesse microcavity can serve as an ultralow lasing threshold nanolaser with promising applications ranging widely from optical fiber communication with increasing data processing speed to digital optical recording and biology spectroscopy

  14. Effects of zinc on static and dynamic mechanical properties of copper-zinc alloy

    Institute of Scientific and Technical Information of China (English)

    马志超; 赵宏伟; 鲁帅; 程虹丙

    2015-01-01

    The effects of adding alloy element zinc on the static and dynamic mechanical properties of copper-zinc alloy were investigated. Tensile and low cycle fatigue behaviors of the C11000 copper and H63 copper-zinc alloy were obtained by using a miniature tester that combined the functions of in situ tensile and fatigue testing. A piezoelectric actuator was adopted as the actuator for the fatigue testing, and the feasibility of the fatigue actuator was verified by the transient harmonic response analysis based on static tensile preload and dynamic sinusoidal load. The experimental results show that the yield strength and tensile strength of the C11000 copper are improved after adding 37% (mass fraction) zinc, and H63 copper-zinc alloy presents more obvious cyclic hardening behavior and more consumed irreversible plastic work during each stress cycle compared with C11000 copper for the same strain controlled cycling. Additionally, based on the Manson-Coffin theory, the strain-life equations of the two materials were also obtained. C11000 copper and H63 copper-zinc alloy show transition life of 16832 and 1788 cycles, respectively.

  15. Structural, Electronic and Dynamical Properties of Curium Monopnictides: Density Functional Calculations

    Science.gov (United States)

    Roondhe, Basant; Upadhyay, Deepak; Som, Narayan; Pillai, Sharad B.; Shinde, Satyam; Jha, Prafulla K.

    2017-03-01

    The structural, electronic, dynamical and thermodynamical properties of CmX (X = N, P, As, Sb, and Bi) compounds are studied using first principles calculations within density functional theory. The Perdew-Burke-Ernzerhof spin polarized generalized gradient approximation and Perdew-Wang (PW) spin polarized local density approximation as the exchange correlational functionals are used in these calculations. There is a good agreement between the present and previously reported data. The calculated electronic density of states suggests that the curium monopnictides are metallic in nature, which is consistent with earlier studies. The significant values of magnetic moment suggest their magnetic nature. The phonon dispersion curves and phonon density of states are also calculated, which depict the dynamical stability of these compounds. There is a significant separation between the optical and acoustical phonon branches. The temperature dependence of the thermodynamical functions are also calculated and discussed. Internal energy and vibrational contribution to the Helmholtz free energy increases and decreases, respectively, with temperature. The entropy increases with temperature. The specific heat at constant volume and Debye temperature obey Debye theory. The temperature variation of the considered thermodynamical functions is in line with those of other crystalline solids.

  16. Dynamic Magnetic Responsive Wall Array with Droplet Shedding-off Properties.

    Science.gov (United States)

    Wang, Lei; Zhang, Miaoxin; Shi, Weiwei; Hou, Yongping; Liu, Chengcheng; Feng, Shile; Guo, Zhenyu; Zheng, Yongmei

    2015-06-10

    Directional control of droplets on a surface is an important issue for tasks of long-range liquid-transport, self-cleaning and water repellency. However, it is still challenging to control the structure motions in orientations so as to control the shedding-off of droplets. Herein, we report a novel dynamic magnetic responsive wall (DMRW) array on PDMS (polydimethylsiloxane)-based surface. The walls can easily tilt through the effect of the external magnet because of the magnetic material in the DMRW. The droplets can be shed off directionally on the surface. Particularly, with the shape recovery and flexible properties, it achieves simultaneous control of the tilt angles (0-60°) of DMRW for shedding-off of droplets with different volumes (1-15 μL) under magnetic action on DMRW. The mechanism of droplet shedding-off on DMRW is elucidated by theory of interfaces. It offers an insight into design of dynamic interface for water repellency. This strategy realizes the preparation of multifunctional, tunable and directional drive functions.

  17. High purity ultrafine-grained nickel processed by dynamic plastic deformation: microstructure and mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Farbaniec, Lukasz; Dirras, Guy [Universite Paris 13, Sorbonne Paris Cite LSPM-CNRS, 99, Avenue J. B. Clement, 93430 Villetaneuse (France); Abdul-Latif, Akrum [Laboratoire d' Ingenierie des Systemes Mecaniques et des Materiaux 3, Rue Fernand Hainaut, 93407 St. Ouen Cedex (France); Gubicza, Jeno [Department of Materials Physics, Eoetvoes Lorand University Budapest, P.O. Box 32, H-1518 (Hungary)

    2012-11-15

    Bulk ultrafine-grained samples are processed by dynamic plastic deformation at an average strain rate of 3.3 x 10{sup 2} s{sup -1} from bulk coarse-grained nickel with purity higher than 98.4 wt.%. The obtained microstructure is investigated by electron backscattering diffraction, transmission electron microscopy and X-ray line profile analysis. After dynamic deformation the microstructure evolves into submicron-size lamellar and subgrain structures. Evaluation of average grain size shows a heterogeneous microstructure along both the diameter and the thickness of the sample. X-ray line profile analysis reveals high dislocation density of about 13 {+-} 2 x 10{sup 14} m{sup -2} in the impacted material. The mechanical properties are investigated by means of uniaxial quasi-static compression tests conducted at room temperature. The stress-strain behavior of the impacted Ni depends on the location in the impacted disk and on the orientation of the compression axis relative to the impact direction. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. The Effect of Non-Uniform Wetting Properties on Contact Line Dynamics

    Science.gov (United States)

    Grivel, Morgane; Jeon, David; Gharib, Morteza

    2015-11-01

    Surfaces with non-uniform wetting properties have been shown to modify contact line dynamics and induce passive displacements of shallow flows. These surfaces are patterned with alternating hydrophobic and hydrophilic stripes of a certain width, spacing and orientation. A thin rectangular wall jet impinges on the surfaces and Fourier Transform Profilometry is used to reconstruct the 3D profile of the low to medium Reynolds number flows. Our previous work reported the development of intriguing roller structures at the contact line near hydrophobic-hydrophilic interfaces and the effect of varying the stripes' dimensions and orientation on these flows. Our present work extends the study to the effects of flow rate and plate inclination angle (with respect to the horizontal). The current work also studies air entrainment by the roller structures of the modified contact line. We will also discuss potential uses of this technique for modifying contact line dynamics and bow waves near surface-piercing bodies. Work is funded by the Office of Naval Research (grant N00014-11-1-0031) and the National Science Foundation's GRFP.

  19. The dynamical properties of Rydberg hydrogen atom near a metal surface

    Institute of Scientific and Technical Information of China (English)

    GE Meihua; ZHANG Yanhui; WANG Dehua; DU Mengli; LIN Shenglu

    2005-01-01

    The dynamical properties of Rydberg hydrogen atom near a metal surface are presented by using the methods of phase space analysis and closed orbit theory. Transforming the coordinates of the Hamiltonian, we find that the phase space of the system is divided into vibrational and rotational region. Both the Poincaré surface of section and the closed orbit theory verify the same conclusion clearly. In this paper we choose the atomic principal quantum number as n = 20. The dynamical character of the exited hydrogen atom depends sensitively on the atom-surface distance d. When d is sufficiently large, the atom-surface potential can be expressed by the traditional van der Waals force and the system is integrable. When d becomes smaller, there exists a critical value dc. For d > dc, the system is near-integrable and the motion is regular. While chaotic motion appears for d < dc, and the system tends to be non-integrable. The trajectories become unstable and the electron might be captured onto the metal surface.

  20. Experimental investigation of operating and dynamic properties of adsorption filter prototype

    Directory of Open Access Journals (Sweden)

    Raos Miomir

    2012-01-01

    Full Text Available The aim of the paper is an examination of flow-thermal, operating and dynamic properties (velocities of gas mixture, flows, pressure drops, temperature, humidity, chemical pollutants tests, and efficiency and performance of the adsorption filter prototype in the filter-ventilation system. The paper presents the results of the experimental research conducted on the original apparatus in the laboratory for air quality management at the Faculty of Occupational Safety in Niš. The examination of flow-thermal, operating and dynamic parameters of the observed filter prototype was carried out on an experimental ventilation setup with a variable flow rate of gas mixture. Experimental data were registered with appropriate measuring equipment, which helped us obtain a picture of the behavior of the adsorption filter prototype compared to simulated parameters of the gas mixture. By measuring and data acquisition, we reached the assumptions for identifying the observed process, and thus the possibility of modeling and controlling process parameters. [Projekat Ministarstva nauke Republike Srbije, br. III-43014