Polymorphism and disorder in caffeine: Dielectric investigation of molecular mobilities

NASA Astrophysics Data System (ADS)

Descamps, M.; Decroix, A. A.

2014-12-01

Using dielectric relaxation data we have characterized the molecular mobilities of caffeine both in phase I (stable and metastable) and in phase II. In phase I effects of sublimation and phase transformation kinetics were carefully considered. In plane rotational motions were followed on a wide temperature range. A noticeable antiferroelectric short range order developing at the approach of the glass-like transition is characterized. Condition for occurrence of a critical-like behaviour is discussed. At high temperature the emergence of an additional ultra slow relaxation process is highlighted. Possible molecular mechanisms are proposed for both processes. In phase II the existence of a less intense relaxation process is confirmed. Close similarity with the main process developing in phase I hints at a common origin of the dipolar motions. Careful consideration of recent structure determinations leads to suggest that this process is associated to similar molecular in plane rotations but developing at the surface of crystalline samples. Lower cooperativity at the surface is reflected in the smaller activation entropy of the relaxation.

An adaptive approach to the physical annealing strategy for simulated annealing

NASA Astrophysics Data System (ADS)

Hasegawa, M.

2013-02-01

A new and reasonable method for adaptive implementation of simulated annealing (SA) is studied on two types of random traveling salesman problems. The idea is based on the previous finding on the search characteristics of the threshold algorithms, that is, the primary role of the relaxation dynamics in their finite-time optimization process. It is shown that the effective temperature for optimization can be predicted from the system's behavior analogous to the stabilization phenomenon occurring in the heating process starting from a quenched solution. The subsequent slow cooling near the predicted point draws out the inherent optimizing ability of finite-time SA in more straightforward manner than the conventional adaptive approach.

Harmonic Chain with Velocity Flips: Thermalization and Kinetic Theory

NASA Astrophysics Data System (ADS)

Lukkarinen, Jani; Marcozzi, Matteo; Nota, Alessia

2016-12-01

We consider the detailed structure of correlations in harmonic chains with pinning and a bulk velocity flip noise during the heat relaxation phase which occurs on diffusive time scales, for t=O(L^2) where L is the chain length. It has been shown earlier that for non-degenerate harmonic interactions these systems thermalize, and the dominant part of the correlations is given by local thermal equilibrium determined by a temperature profile which satisfies a linear heat equation. Here we are concerned with two new aspects about the thermalization process: the first order corrections in 1 / L to the local equilibrium correlations and the applicability of kinetic theory to study the relaxation process. Employing previously derived explicit uniform estimates for the temperature profile, we first derive an explicit form for the first order corrections to the particle position-momentum correlations. By suitably revising the definition of the Wigner transform and the kinetic scaling limit we derive a phonon Boltzmann equation whose predictions agree with the explicit computation. Comparing the two results, the corrections can be understood as arising from two different sources: a current-related term and a correction to the position-position correlations related to spatial changes in the phonon eigenbasis.

Thermal characterization of static and dynamical properties of the confined molecular systems interacting through dispersion force.

PubMed

Ramos, Sergio Luis L M; Ogino, Michihiko; Oguni, Masaharu

2015-01-28

We investigated the thermal properties of liquid methylcyclohexane and racemic sec-butylcyclohexane, as representatives of a molecular system with only dispersion-force intermolecular interactions, confined in the pores (thickness/diameter d = 12, 6, 1.1 nm) of silica gels by adiabatic calorimetry. The results imply a heterogeneous picture for molecular aggregate under confinement consisting of an interfacial region and an inner pore one. In the vicinity of a glass-transition temperature T(g,bulk) of bulk liquid, two distinguishable relaxation phenomena were observed for the confined systems and their origins were attributed to the devitrification, namely glass transition, processes of (1) a layer of interfacial molecules adjacent to the pore walls and (2) the molecules located in the middle of the pore. A third glass-transition phenomenon was observed at lower temperatures and ascribed to a secondary relaxation process. The glass transition of the interfacial-layer molecules was found to proceed at temperatures rather above T(g,bulk), whereas that of the molecules located in the inner pore region occurred at temperatures below T(g,bulk). We discuss the reason why the molecules located in different places in the pores reveal the respectively different dynamical properties.

Metabolic alterations induced in cultured skeletal muscle by stretch-relaxation activity

NASA Technical Reports Server (NTRS)

Hatfaludy, Sophia; Shansky, Janet; Vandenburgh, Herman H.

1989-01-01

Muscle cells differentiated in vitro are repetitively stretched and relaxed in order to determine the presence of short- and long-term alterations occurring in glucose uptake and lactate efflux that are similar to the metabolic alterations occurring in stimulated organ-cultured muscle and in vivo skeletal muscle during the active state. It is observed that whereas mechanical stimulation increases these metabolic parameters within 4-6 h of starting activity, unstimulated basal rates in control cultures also increase during this period of time, and by 8 h, their rates have reached or exceeded the rates in continuously stimulated cells. Measurements of these parameters in media of different compositions show that activity-induced long-term alterations in the parameters occur independently of growth factors in serium and embryo extracts.

Lattice relaxation in oxide heterostructures: LaTiO3/SrTiO3 superlattices.

PubMed

Okamoto, Satoshi; Millis, Andrew J; Spaldin, Nicola A

2006-08-04

Local density approximation + Hubbard U and many-body effective Hamiltonian calculations are used to determine the effects of lattice relaxation in LaTiO3/SrTiO3 superlattices. Large ferroelectric-like distortions of the TiO6 octahedra are found, which substantially affect the Ti d-electron density, bringing the calculated results into good agreement with experimental data. The relaxations also change the many-body physics, leading to a novel symmetry-breaking-induced ordering of the xy orbitals, which does not occur in bulk LaTiO3, or in the hypothetical unrelaxed structure.

Bayesian Modeling of NMR Data: Quantifying Longitudinal Relaxation in Vivo, and in Vitro with a Tissue-Water-Relaxation Mimic (Crosslinked Bovine Serum Albumin).

PubMed

Meinerz, Kelsey; Beeman, Scott C; Duan, Chong; Bretthorst, G Larry; Garbow, Joel R; Ackerman, Joseph J H

2018-01-01

Recently, a number of MRI protocols have been reported that seek to exploit the effect of dissolved oxygen (O 2 , paramagnetic) on the longitudinal 1 H relaxation of tissue water, thus providing image contrast related to tissue oxygen content. However, tissue water relaxation is dependent on a number of mechanisms, and this raises the issue of how best to model the relaxation data. This problem, the model selection problem, occurs in many branches of science and is optimally addressed by Bayesian probability theory. High signal-to-noise, densely sampled, longitudinal 1 H relaxation data were acquired from rat brain in vivo and from a cross-linked bovine serum albumin (xBSA) phantom, a sample that recapitulates the relaxation characteristics of tissue water in vivo . Bayesian-based model selection was applied to a cohort of five competing relaxation models: (i) monoexponential, (ii) stretched-exponential, (iii) biexponential, (iv) Gaussian (normal) R 1 -distribution, and (v) gamma R 1 -distribution. Bayesian joint analysis of multiple replicate datasets revealed that water relaxation of both the xBSA phantom and in vivo rat brain was best described by a biexponential model, while xBSA relaxation datasets truncated to remove evidence of the fast relaxation component were best modeled as a stretched exponential. In all cases, estimated model parameters were compared to the commonly used monoexponential model. Reducing the sampling density of the relaxation data and adding Gaussian-distributed noise served to simulate cases in which the data are acquisition-time or signal-to-noise restricted, respectively. As expected, reducing either the number of data points or the signal-to-noise increases the uncertainty in estimated parameters and, ultimately, reduces support for more complex relaxation models.

Topology Synthesis of Structures Using Parameter Relaxation and Geometric Refinement

NASA Technical Reports Server (NTRS)

Hull, P. V.; Tinker, M. L.

2007-01-01

Typically, structural topology optimization problems undergo relaxation of certain design parameters to allow the existence of intermediate variable optimum topologies. Relaxation permits the use of a variety of gradient-based search techniques and has been shown to guarantee the existence of optimal solutions and eliminate mesh dependencies. This Technical Publication (TP) will demonstrate the application of relaxation to a control point discretization of the design workspace for the structural topology optimization process. The control point parameterization with subdivision has been offered as an alternative to the traditional method of discretized finite element design domain. The principle of relaxation demonstrates the increased utility of the control point parameterization. One of the significant results of the relaxation process offered in this TP is that direct manufacturability of the optimized design will be maintained without the need for designer intervention or translation. In addition, it will be shown that relaxation of certain parameters may extend the range of problems that can be addressed; e.g., in permitting limited out-of-plane motion to be included in a path generation problem.

Monitoring the dynamics of miscible P3HT:PCBM blends: A quasi elastic neutron scattering study of organic photovoltaic active layers

DOE PAGES

Etampawala, Thusitha; Ratnaweera, Dilru; Morgan, Brian; ...

2015-02-02

Our work reports on the detailed molecular dynamic behavior of miscible blends of Poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) and their pure counterparts by quasi-elastic neutron scattering measurements (QENS). The study provides the measure of relaxation processes on pico-to-nanosecond time scales. A single relaxation process was observed in pure P3HT and PCBM while two relaxation processes, one fast and one slow, were observed in the blends. The fast process was attributed to the dynamics of P3HT while the slow process was correlated to the dynamics of PCBM. The results show that the relaxation process is a balance betweenmore » two opposing effects: increased mobility due to thermal activation of P3HT molecules and decrease mobility due to the presence of PCBM which is correlated to the percent crystallinity of P3HT and local packing density of PCBM in the amorphous phase. The threshold for the domination of the thermally activated relaxation is between 5 and 9 vol.% of PCBM loading. Two distinct spatial dependences of the relaxation processes, in which the crossover length scale depends neither on temperature nor composition, were observed for all the samples. They were attributed to the collective motions of the hexyl side chains and the rotational motions of the C-C single bonds of the side chains. Finally, these results provide an understanding of the effects of PCBM loading and temperature on the dynamics of the polymer-fullerene blends which provides a tool to optimize the efficiency of charge carrier and exciton transport within the organic photovoltaic (OPV) active layer to improve the high performance of organic solar cells.« less

Real-time observation of formation and relaxation dynamics of NH4 in (CH3OH)m(NH3)n clusters.

PubMed

Yamada, Yuji; Nishino, Yoko; Fujihara, Akimasa; Ishikawa, Haruki; Fuke, Kiyokazu

2009-03-26

The formation and relaxation dynamics of NH4(CH3OH)m(NH3)n clusters produced by photolysis of ammonia-methanol mixed clusters has been observed by a time-resolved pump-probe method with femtosecond pulse lasers. From the detailed analysis of the time evolutions of the protonated cluster ions, NH4(+)(CH3OH)m(NH3)n, the kinetic model has been constructed, which consists of sequential three-step reaction: ultrafast hydrogen-atom transfer producing the radical pair (NH4-NH2)*, the relaxation process of radical-pair clusters, and dissociation of the solvated NH4 clusters. The initial hydrogen transfer hardly occurs between ammonia and methanol, implying the unfavorable formation of radical pair, (CH3OH2-NH2)*. The remarkable dependence of the time constants in each step on the number and composition of solvents has been explained by the following factors: hydrogen delocalization within the clusters, the internal conversion of the excited-state radical pair, and the stabilization of NH4 by solvation. The dependence of the time profiles on the probe wavelength is attributed to the different ionization efficiency of the NH4(CH3OH)m(NH3)n clusters.

Novel spin dynamics in ferrimagnetic molecular chains from 1H NMR and μSR spin-lattice relaxation measurements

NASA Astrophysics Data System (ADS)

Micotti, E.; Lascialfari, A.; Rigamonti, A.; Aldrovandi, S.; Caneschi, A.; Gatteschi, D.; Bogani, L.

2004-05-01

The spin dynamics in the helical chain Co(hfac) 2NITPhOMe has been investigated by 1H NMR and μSR relaxation. In the temperature range 15

Relaxation of exciton and photoinduced dimerization in crystalline C60

NASA Astrophysics Data System (ADS)

Suzuki, Masato; Iida, Takeshi; Nasu, Keiichiro

2000-01-01

We numerically investigate the lattice relaxation of photogenerated exciton in crystalline C60 so as to clarify the mechanism of the photoinduced dimerization processes in this material. In our theory, we deal with the π electrons together with the interatomic effective potentials. Calculations are mainly based on the mean-field theory for interelectron interactions but are also reinforced by taking the electron-hole correlation into account, so that we can obtain the exciton effect. Using a cluster model, we calculate the adiabatic potential energy surfaces of the excitons relevant to the photoinduced dimerization processes occurring in a face-centered-cubic crystal of C60. The potential surfaces of the Frenkel excitons turned out to be quite uneven with several energy minimum points during the structural changes from the Franck-Condon state to the dimerized state. This leads to the conclusion that various structural defects exist at low temperatures even in the single crystal, as an intrinsic property of this molecular crystal with a complicated intermolecular interaction. From the analysis of the potential surfaces of the charge-transfer (CT) excitons, it is confirmed that the CT exciton relaxes down to its self-trapped state, wherein the adjacent two molecules get close together. This implies that the CT between adjacent two molecules is one of mechanisms that triggers the photodimerization or the photopolymerization. The oscillator strength distributions are also calculated for various intermediate structures along the lattice relaxation path. As the dimerization reaction proceeds, the oscillator strength grows in the energy region below the fundamental absorption edge, and the lowest-energy peak, originally at about 1.9 eV, finally shifts down to about 1.7 eV in the final dimerized structure. These results clarify the electronic origins of the luminescence observed in the C60 single crystal. Moreover, the origins of the photoinduced absorption spectra observed by Bazhenov, Gorbunov, and Volkodav are elucidated by characteristics of the adiabatic potential energy surfaces obtained here.

Real-time observation of cascaded electronic relaxation processes in p-Fluorotoluene

NASA Astrophysics Data System (ADS)

Hao, Qiaoli; Deng, Xulan; Long, Jinyou; Wang, Yanmei; Abulimiti, Bumaliya; Zhang, Bing

2017-08-01

Ultrafast electronic relaxation processes following two photoexcitation of 400 nm in p-Fluorotoluene (pFT) have been investigated utilizing time-resolved photoelectron imaging coupled with time-resolved mass spectroscopy. Cascaded electronic relaxation processes started from the electronically excited S2 state are directly imaged in real time and well characterized by two distinct time constants of 85 ± 10 fs and 2.4 ± 0.3 ps. The rapid component corresponds to the lifetime of the initially excited S2 state, including the structure relaxation from the Franck-Condon region to the conical intersection of S2/S1 and the subsequent internal conversion to the highly excited S1 state. While, the slower relaxation constant is attributed to the further internal conversion to the high levels of S0 from the secondarily populated S1 locating in the channel three region. Moreover, dynamical differences with benzene and toluene of analogous structures, including, specifically, the slightly slower relaxation rate of S2 and the evidently faster decay of S1, are also presented and tentatively interpreted as the substituent effects. In addition, photoelectron kinetic energy and angular distributions reveal the feature of accidental resonances with low-lying Rydberg states (the 3p, 4s and 4p states) during the multi-photon ionization process, providing totally unexpected but very interesting information for pFT.

Deconvolution of the relaxations associated with local and segmental motions in poly(methacrylate)s containing dichlorinated benzyl moieties in the ester residue.

PubMed

Dominguez-Espinosa, Gustavo; Díaz-Calleja, Ricardo; Riande, Evaristo; Gargallo, Ligia; Radic, Deodato

2005-09-15

The relaxation behavior of poly(2,3-dichlorobenzyl methacrylate) is studied by broadband dielectric spectroscopy in the frequency range of 10(-1)-10(9) Hz and temperature interval of 303-423 K. The isotherms representing the dielectric loss of the glassy polymer in the frequency domain present a single absorption, called beta process. At temperatures close to Tg, the dynamical alpha relaxation already overlaps with the beta process, the degree of overlapping increasing with temperature. The deconvolution of the alpha and beta relaxations is facilitated using the retardation spectra calculated from the isotherms utilizing linear programming regularization parameter techniques. The temperature dependence of the beta relaxation presents a crossover associated with a change in activation energy of the local processes. The distance between the alpha and beta peaks, expressed as log(fmax;beta/fmax;alpha) where fmax is the frequency at the peak maximum, follows Arrhenius behavior in the temperature range of 310-384 K. Above 384 K, the distance between the peaks remains nearly constant and, as a result, the a onset temperature exhibited for many polymers is not reached in this system. The fraction of relaxation carried out through the alpha process, without beta assistance, is larger than 60% in the temperature range of 310-384 K where the so-called Williams ansatz holds.

High pressure studies on structural and secondary relaxation dynamics in silyl derivative of D-glucose

NASA Astrophysics Data System (ADS)

Minecka, Aldona; Kamińska, Ewa; Tarnacka, Magdalena; Dzienia, Andrzej; Madejczyk, Olga; Waliłko, Patrycja; Kasprzycka, Anna; Kamiński, Kamil; Paluch, Marian

2017-08-01

In this paper, broadband dielectric spectroscopy was applied to investigate molecular dynamics of 1,2,3,4,6-penta-O-(trimethylsilyl)-D-glucopyranose (S-GLU) at ambient and elevated pressures. Our studies showed that apart from the structural relaxation, one well resolved asymmetric secondary process (initially labeled as β) is observed in the spectra measured at p = 0.1 MPa. Analysis with the use of the coupling model and criterion proposed by Ngai and Capaccioli indicated that the β-process in S-GLU is probably a Johari-Goldstein relaxation of intermolecular origin. Further high pressure experiments demonstrated that there are in fact two secondary processes contributing to the β-relaxation. Therefore, one can postulate that the coupling model is a necessary, but not sufficient criterion to identify the true nature of the given secondary relaxation process. The role of pressure experiments in better understanding of the molecular origin of local mobility seems to be much more important. Interestingly, our research also revealed that the structural relaxation in S-GLU is very sensitive to compression. It was reflected in an extremely high pressure coefficient of the glass transition temperature (dTg/dp = 412 K/GPa). According to the literature data, such a high value of dTg/dp has not been obtained so far for any H-bonded, van der Waals, or polymeric glass-formers.

Vasorelaxation responses to insulin in laminar vessel rings from healthy, lean horses.

PubMed

Wooldridge, A A; Waguespack, R W; Schwartz, D D; Venugopal, C S; Eades, S C; Beadle, R E

2014-10-01

Hyperinsulinemia causes laminitis experimentally and is a risk factor for naturally occurring laminitis. The aim of this study was to investigate the effects of insulin on laminar vascular relaxation and to induce insulin-associated vascular dysfunction in vitro. Relaxation responses of isolated laminar arterial and venous rings to acetylcholine and insulin were evaluated. To alter vascular function in response to insulin, all vessel rings were incubated with insulin or vehicle, submaximally contracted, administered insulin again and relaxation responses recorded. Laminar arteries were also incubated with the mitogen-activated protein kinase (MAPK) inhibitor, PD-98059. Relaxation in response to acetylcholine was not different between arteries and veins, but veins relaxed less in response to insulin than arteries. In arteries incubated with insulin, the subsequent relaxation response to insulin was blunted. Veins had minimal relaxation to insulin regardless of incubation. Arteries incubated with PD-98059 relaxed more in response to insulin than arteries not exposed to PD-98059, indicating that MAPK plays a role in maintenance of basal tone in laminar arteries. A differing response of laminar veins and arteries to insulin-induced relaxation may be important in understanding the link between hyperinsulinemia and laminitis. In vitro induction of vascular dysfunction in response to insulin in laminar arteries may be useful for testing therapeutic interventions and for understanding the pathophysiology of laminitis. Copyright © 2014 Elsevier Ltd. All rights reserved.

40 CFR 57.205 - Submission of supplementary information upon relaxation of an SO2 SIP emission limitation.

Code of Federal Regulations, 2010 CFR

2010-07-01

... upon relaxation of an SO2 SIP emission limitation. 57.205 Section 57.205 Protection of Environment... Application and the NSO Process § 57.205 Submission of supplementary information upon relaxation of an SO2 SIP emission limitation. (a) In the event an SO2 SIP limit is relaxed subsequent to EPA approval or issuance of...

Molecular Relaxation in LiNO3-LiClO4 and Li2CO3-Li2SO4 Solid Binary Systems

NASA Astrophysics Data System (ADS)

Aliev, A. R.; Akhmedov, I. R.; Kakagasanov, M. G.; Aliev, Z. A.; Gafurov, M. M.; Amirov, A. M.

2018-06-01

The paper presents spectroscopic combinational scattering investigations of the molecular relaxation in LiNO3-LiClO4 and Li2CO3-Li2SO4 solid binary systems. It is found that the relaxation time for ν1(A) vibrations of NO3 - anion in LiNO3-LiClO4 system is lower than in LiNO3 crystal. And the relaxation time for ν1(A) vibrations of CO3 2- anion in Li2CO3-Li2SO4 system is lower than in Li2CO3 crystal. The increase in the relaxation time is explained by the additional relaxation mechanism of the excited mode of nitrate and carbon ions which is observed in these systems. This mechanism is linked to the vibrations of other anions (ClO4 - or SO4 2-) and a nucleation of the lattice phonon. Experiments show that the additional relaxation mechanism occurs due to the vibration difference which corresponds to the area of rather a high density of states of the phonon spectrum.

Thermal relaxation of molecular oxygen in collisions with nitrogen atoms

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

Andrienko, Daniil A., E-mail: daniila@umich.edu; Boyd, Iain D.

2016-07-07

Investigation of O{sub 2}–N collisions is performed by means of the quasi-classical trajectory method on the two lowest ab initio potential energy surfaces at temperatures relevant to hypersonic flows. A complete set of bound–bound and bound–free transition rates is obtained for each precollisional rovibrational state. Special attention is paid to the vibrational and rotational relaxations of oxygen as a result of chemically non-reactive interaction with nitrogen atoms. The vibrational relaxation of oxygen partially occurs via the formation of an intermediate NO{sub 2} complex. The efficient energy randomization results in rapid vibrational relaxation at low temperatures, compared to other molecular systemsmore » with a purely repulsive potential. The vibrational relaxation time, computed by means of master equation studies, is nearly an order of magnitude lower than the relaxation time in N{sub 2}–O collisions. The rotational nonequilibrium starts to play a significant effect at translational temperatures above 8000 K. The present work provides convenient relations for the vibrational and rotational relaxation times as well as for the quasi-steady dissociation rate coefficient and thus fills a gap in data due to a lack of experimental measurements for this system.« less

An analytical model for transient deformation of viscoelastically coated beams: Applications to static-mode microcantilever chemical sensors

NASA Astrophysics Data System (ADS)

Heinrich, S. M.; Wenzel, M. J.; Josse, F.; Dufour, I.

2009-06-01

The problem governing the transient deformation of an elastic cantilever beam with viscoelastic coating, subjected to a time-dependent coating eigenstrain, is mathematically formulated. An analytical solution for an exponential eigenstrain history, exact within the context of beam theory, is obtained in terms of the coating and base layer thicknesses, the elastic modulus of the base material, the initial coating modulus, the coating relaxation percentage (0%-100%), and the time constants of the coating's relaxation process and its eigenstrain history. Approximate formulas, valid for thin coatings, are derived as special cases to provide insight into system behavior. Main results include (1) the time histories of the beam curvature and the coating stresses, (2) a criterion governing the response type (monotonic or "overshoot" response), and (3) simple expressions for the overshoot ratio, defined as the peak response scaled by the steady-state response, and the time at which the peak response occurs. Applications to polymer-coated microcantilever-based chemical sensors operating in the static mode are discussed.

A numerical model for predicting crack path and modes of damage in unidirectional metal matrix composites

NASA Technical Reports Server (NTRS)

Bakuckas, J. G.; Tan, T. M.; Lau, A. C. W.; Awerbuch, J.

1993-01-01

A finite element-based numerical technique has been developed to simulate damage growth in unidirectional composites. This technique incorporates elastic-plastic analysis, micromechanics analysis, failure criteria, and a node splitting and node force relaxation algorithm to create crack surfaces. Any combination of fiber and matrix properties can be used. One of the salient features of this technique is that damage growth can be simulated without pre-specifying a crack path. In addition, multiple damage mechanisms in the forms of matrix cracking, fiber breakage, fiber-matrix debonding and plastic deformation are capable of occurring simultaneously. The prevailing failure mechanism and the damage (crack) growth direction are dictated by the instantaneous near-tip stress and strain fields. Once the failure mechanism and crack direction are determined, the crack is advanced via the node splitting and node force relaxation algorithm. Simulations of the damage growth process in center-slit boron/aluminum and silicon carbide/titanium unidirectional specimens were performed. The simulation results agreed quite well with the experimental observations.

Entropic multiple-relaxation-time multirange pseudopotential lattice Boltzmann model for two-phase flow

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

Qin, Feifei; Mazloomi Moqaddam, Ali; Kang, Qinjun

Here, an entropic multiple-relaxation-time lattice Boltzmann approach is coupled to a multirange Shan-Chen pseudopotential model to study the two-phase flow. Compared with previous multiple-relaxation-time multiphase models, this model is stable and accurate for the simulation of a two-phase flow in a much wider range of viscosity and surface tension at a high liquid-vapor density ratio. A stationary droplet surrounded by equilibrium vapor is first simulated to validate this model using the coexistence curve and Laplace’s law. Then, two series of droplet impact behavior, on a liquid film and a flat surface, are simulated in comparison with theoretical or experimental results.more » Droplet impact on a liquid film is simulated for different Reynolds numbers at high Weber numbers. With the increase of the Sommerfeld parameter, onset of splashing is observed and multiple secondary droplets occur. The droplet spreading ratio agrees well with the square root of time law and is found to be independent of Reynolds number. Moreover, shapes of simulated droplets impacting hydrophilic and superhydrophobic flat surfaces show good agreement with experimental observations through the entire dynamic process. The maximum spreading ratio of a droplet impacting the superhydrophobic flat surface is studied for a large range of Weber numbers. Results show that the rescaled maximum spreading ratios are in good agreement with a universal scaling law. This series of simulations demonstrates that the proposed model accurately captures the complex fluid-fluid and fluid-solid interfacial physical processes for a wide range of Reynolds and Weber numbers at high density ratios.« less

Entropic multiple-relaxation-time multirange pseudopotential lattice Boltzmann model for two-phase flow

NASA Astrophysics Data System (ADS)

Qin, Feifei; Mazloomi Moqaddam, Ali; Kang, Qinjun; Derome, Dominique; Carmeliet, Jan

2018-03-01

An entropic multiple-relaxation-time lattice Boltzmann approach is coupled to a multirange Shan-Chen pseudopotential model to study the two-phase flow. Compared with previous multiple-relaxation-time multiphase models, this model is stable and accurate for the simulation of a two-phase flow in a much wider range of viscosity and surface tension at a high liquid-vapor density ratio. A stationary droplet surrounded by equilibrium vapor is first simulated to validate this model using the coexistence curve and Laplace's law. Then, two series of droplet impact behavior, on a liquid film and a flat surface, are simulated in comparison with theoretical or experimental results. Droplet impact on a liquid film is simulated for different Reynolds numbers at high Weber numbers. With the increase of the Sommerfeld parameter, onset of splashing is observed and multiple secondary droplets occur. The droplet spreading ratio agrees well with the square root of time law and is found to be independent of Reynolds number. Moreover, shapes of simulated droplets impacting hydrophilic and superhydrophobic flat surfaces show good agreement with experimental observations through the entire dynamic process. The maximum spreading ratio of a droplet impacting the superhydrophobic flat surface is studied for a large range of Weber numbers. Results show that the rescaled maximum spreading ratios are in good agreement with a universal scaling law. This series of simulations demonstrates that the proposed model accurately captures the complex fluid-fluid and fluid-solid interfacial physical processes for a wide range of Reynolds and Weber numbers at high density ratios.

Entropic multiple-relaxation-time multirange pseudopotential lattice Boltzmann model for two-phase flow

DOE PAGES

Qin, Feifei; Mazloomi Moqaddam, Ali; Kang, Qinjun; ...

2018-03-22

Here, an entropic multiple-relaxation-time lattice Boltzmann approach is coupled to a multirange Shan-Chen pseudopotential model to study the two-phase flow. Compared with previous multiple-relaxation-time multiphase models, this model is stable and accurate for the simulation of a two-phase flow in a much wider range of viscosity and surface tension at a high liquid-vapor density ratio. A stationary droplet surrounded by equilibrium vapor is first simulated to validate this model using the coexistence curve and Laplace’s law. Then, two series of droplet impact behavior, on a liquid film and a flat surface, are simulated in comparison with theoretical or experimental results.more » Droplet impact on a liquid film is simulated for different Reynolds numbers at high Weber numbers. With the increase of the Sommerfeld parameter, onset of splashing is observed and multiple secondary droplets occur. The droplet spreading ratio agrees well with the square root of time law and is found to be independent of Reynolds number. Moreover, shapes of simulated droplets impacting hydrophilic and superhydrophobic flat surfaces show good agreement with experimental observations through the entire dynamic process. The maximum spreading ratio of a droplet impacting the superhydrophobic flat surface is studied for a large range of Weber numbers. Results show that the rescaled maximum spreading ratios are in good agreement with a universal scaling law. This series of simulations demonstrates that the proposed model accurately captures the complex fluid-fluid and fluid-solid interfacial physical processes for a wide range of Reynolds and Weber numbers at high density ratios.« less

Electron-impact vibrational relaxation in high-temperature nitrogen

NASA Technical Reports Server (NTRS)

Lee, Jong-Hun

1992-01-01

Vibrational relaxation process of N2 molecules by electron-impact is examined for the future planetary entry environments. Multiple-quantum transitions from excited states to higher/lower states are considered for the electronic ground state of the nitrogen molecule N2 (X 1Sigma-g(+)). Vibrational excitation and deexcitation rate coefficients obtained by computational quantum chemistry are incorporated into the 'diffusion model' to evaluate the time variations of vibrational number densities of each energy state and total vibrational energy. Results show a non-Boltzmann distribution of number densities at the earlier stage of relaxation, which in turn suppresses the equilibrium process but affects little the time variation of total vibrational energy. An approximate rate equation and a corresponding relaxation time from the excited states, compatible with the system of flow conservation equations, are derived. The relaxation time from the excited states indicates the weak dependency of the initial vibrational temperature. The empirical curve-fit formula for the improved e-V relaxation time is obtained.

Nuclear spin relaxation of methane in solid xenon

NASA Astrophysics Data System (ADS)

Sugimoto, Takeru; Arakawa, Ichiro; Yamakawa, Koichiro

2018-03-01

Nuclear spin relaxation of methane in solid xenon has been studied by infrared spectroscopy. From the analysis of the temporal changes of the rovibrational peaks, the rates of the nuclear spin relaxation of I = 2 ← 1 correlated to the rotational relaxation of J = 0 ← 1 were obtained at temperatures of 5.1-11.5 K. On the basis of the temperature dependence of the relaxation rate, the activation energy of the indirect two-phonon process was determined to be 50 ± 6 K, which is in good agreement with the rotational transition energies of J = 2 ← 1 and J = 3 ← 1. Taking into account this result and the spin degeneracy, we argue that the lowest J = 3 level in which the I = 1 and I = 2 states are degenerate acts as the intermediate point of the indirect process.

Thermalization of entanglement.

PubMed

Zhang, Liangsheng; Kim, Hyungwon; Huse, David A

2015-06-01

We explore the dynamics of the entanglement entropy near equilibrium in highly entangled pure states of two quantum-chaotic spin chains undergoing unitary time evolution. We examine the relaxation to equilibrium from initial states with either less or more entanglement entropy than the equilibrium value, as well as the dynamics of the spontaneous fluctuations of the entanglement that occur in equilibrium. For the spin chain with a time-independent Hamiltonian and thus an extensive conserved energy, we find slow relaxation of the entanglement entropy near equilibration. Such slow relaxation is absent in a Floquet spin chain with a Hamiltonian that is periodic in time and thus has no local conservation law. Therefore, we argue that slow diffusive energy transport is responsible for the slow relaxation of the entanglement entropy in the Hamiltonian system.

Theory and experimental results of transfer-NOE experiments. 1. The influence of the off rate versus cross-relaxation rates

NASA Astrophysics Data System (ADS)

Lippens, R. M.; Cerf, C.; Hallenga, K.

The theory of the transferred nuclear Overhauser effect is presented in the framework of an extended relaxation matrix representation. This matrix representation allows a coherent description of all one- and two-dimensional experiments. We present analytical solutions for the buildup of magnetization in the 2D transfer-NOE experiment, for all ratios of the off rate k to the cross-relaxation rates R involved. We show that systematic deviations in distance determination occur when the off rate becomes comparable to or smaller than the relaxation rates. Experimental results on the peptide/protein system oxytocin/neurophysin confirming this analysis are presented. The importance of residual mobility in the bound ligand, as demonstrated by the experimental data, is also discussed.

Energy thresholds of discrete breathers in thermal equilibrium and relaxation processes.

PubMed

Ming, Yi; Ling, Dong-Bo; Li, Hui-Min; Ding, Ze-Jun

2017-06-01

So far, only the energy thresholds of single discrete breathers in nonlinear Hamiltonian systems have been analytically obtained. In this work, the energy thresholds of discrete breathers in thermal equilibrium and the energy thresholds of long-lived discrete breathers which can remain after a long time relaxation are analytically estimated for nonlinear chains. These energy thresholds are size dependent. The energy thresholds of discrete breathers in thermal equilibrium are the same as the previous analytical results for single discrete breathers. The energy thresholds of long-lived discrete breathers in relaxation processes are different from the previous results for single discrete breathers but agree well with the published numerical results known to us. Because real systems are either in thermal equilibrium or in relaxation processes, the obtained results could be important for experimental detection of discrete breathers.

Plasmonic tunnel junctions for single-molecule redox chemistry.

PubMed

de Nijs, Bart; Benz, Felix; Barrow, Steven J; Sigle, Daniel O; Chikkaraddy, Rohit; Palma, Aniello; Carnegie, Cloudy; Kamp, Marlous; Sundararaman, Ravishankar; Narang, Prineha; Scherman, Oren A; Baumberg, Jeremy J

2017-10-20

Nanoparticles attached just above a flat metallic surface can trap optical fields in the nanoscale gap. This enables local spectroscopy of a few molecules within each coupled plasmonic hotspot, with near thousand-fold enhancement of the incident fields. As a result of non-radiative relaxation pathways, the plasmons in such sub-nanometre cavities generate hot charge carriers, which can catalyse chemical reactions or induce redox processes in molecules located within the plasmonic hotspots. Here, surface-enhanced Raman spectroscopy allows us to track these hot-electron-induced chemical reduction processes in a series of different aromatic molecules. We demonstrate that by increasing the tunnelling barrier height and the dephasing strength, a transition from coherent to hopping electron transport occurs, enabling observation of redox processes in real time at the single-molecule level.

Biotransformation of glyceryl trinitrate occurs concurrently with relaxation of rabbit aorta

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

Brien, J.F.; McLaughlin, B.E.; Breedon, T.H.

1986-05-01

This study was conducted to test the hypothesis that biotransformation of glyceryl trinitrate (GTN) is involved in GTN-induced relaxation of vascular smooth muscle. Isolated rabbit aortic strips (RAS) were contracted submaximally with phenylephrine (PE) and then were incubated with 0.5 microM (/sup 14/C)GTN in a time course study. GTN-induced relaxation (inhibition of PE-induced tone) of RAS was monitored and tissue GTN and glyceryl-1,2- and 1,3-dinitrate (GDN) concentrations were measured by thin-layer chromatography and liquid scintillation spectrometry at 0.5, 1, 2 and 20 min after incubation. Biotransformation of GTN to GDN occurred during GTN-induced relaxation of RAS. The tissue GDN concentrationmore » was dependent on the time duration of incubation with GTN and was related to the magnitude of GTN-induced tissue relaxation. At the 20-min interval, the GDN concentration in the incubation medium indicated appreciable efflux of GDN metabolites from the RAS. In the biotransformation of GTN by RAS, there was about 4-fold preferential formation of 1,2-GDN compared with 1,3-GDN. RAS were made tolerant to GTN in vitro by incubation with 500 microM GTN for 1 hr. After washing, GTN-tolerant and nontolerant (incubation with vehicle for 1 hr) RAS were contracted submaximally with PE, and then were incubated with 0.5 microM (/sup 14/C)GTN for 2 min. GTN-induced relaxation of RAS and tissue GDN concentration were significantly less for GTN-tolerant tissue compared with nontolerant tissue. Tissue GTN concentration was similar for both GTN-tolerant and nontolerant RAS, which indicated that the tissue uptake of GTN was similar and that GTN biotransformation was diminished in tolerant tissue.(ABST« less

Stress Relaxation in Epoxy Thermosets via a Ferrocene-Based Amine Curing Agent

DOE PAGES

Jones, Brad H.; Wheeler, David R.; Black, Hayden T.; ...

2017-06-29

Physical stress relaxation in rubbery, thermoset polymers is limited by cross-links, which impede segmental motion and restrict relaxation to network defects, such as chain ends. In parallel, the cure shrinkage associated with thermoset polymerizations leads to the development of internal residual stress that cannot be effectively relaxed. Recent strategies have reduced or eliminated such cure stress in thermoset polymers largely by exploiting chemical relaxation processes, wherein temporary cross-links or otherwise transient bonds are incorporated into the polymer network. In this paper, we explore an alternative approach, wherein physical relaxation is enhanced by the incorporation of organometallic sandwich moieties into themore » backbone of the polymer network. A standard epoxy resin is cured with a diamine derivative of ferrocene and compared to conventional diamine curing agents. The ferrocene-based thermoset is clearly distinguished from the conventional materials by reduced cure stress with increasing cure temperature as well as unique stress relaxation behavior above its glass transition in the fully cured state. The relaxation experiments exhibit features characteristic of a physical relaxation process. Furthermore, the cure stress is observed to vanish precipitously upon deliberate introduction of network defects through an increasing imbalance of epoxy and amine functional groups. Finally, we postulate that these beneficial properties arise from fluxional motion of the cyclopentadienyl ligands on the polymer backbone.« less

Stress Relaxation in Epoxy Thermosets via a Ferrocene-Based Amine Curing Agent

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

Jones, Brad H.; Wheeler, David R.; Black, Hayden T.

Physical stress relaxation in rubbery, thermoset polymers is limited by cross-links, which impede segmental motion and restrict relaxation to network defects, such as chain ends. In parallel, the cure shrinkage associated with thermoset polymerizations leads to the development of internal residual stress that cannot be effectively relaxed. Recent strategies have reduced or eliminated such cure stress in thermoset polymers largely by exploiting chemical relaxation processes, wherein temporary cross-links or otherwise transient bonds are incorporated into the polymer network. In this paper, we explore an alternative approach, wherein physical relaxation is enhanced by the incorporation of organometallic sandwich moieties into themore » backbone of the polymer network. A standard epoxy resin is cured with a diamine derivative of ferrocene and compared to conventional diamine curing agents. The ferrocene-based thermoset is clearly distinguished from the conventional materials by reduced cure stress with increasing cure temperature as well as unique stress relaxation behavior above its glass transition in the fully cured state. The relaxation experiments exhibit features characteristic of a physical relaxation process. Furthermore, the cure stress is observed to vanish precipitously upon deliberate introduction of network defects through an increasing imbalance of epoxy and amine functional groups. Finally, we postulate that these beneficial properties arise from fluxional motion of the cyclopentadienyl ligands on the polymer backbone.« less

Magnetism of a relaxed single atom vacancy in graphene

NASA Astrophysics Data System (ADS)

Wu, Yunyi; Hu, Yonghong; Xue, Li; Sun, Tieyu; Wang, Yu

2018-04-01

It has been suggested in literature that defects in graphene (e.g. absorbed atoms and vacancies) may induce magnetizations due to unpaired electrons. The nature of magnetism, i.e. ferromagnetic or anti-ferromagnetic, is dependent on a number of structural factors including locations of magnetic moments and lattice symmetry. In the present work we investigated the influence of a relaxed single atom vacancy in garphnene on magnetization which were obtained under different pinning boundary conditions, aiming to achieve a better understanding of the magnetic behaviors of graphene. Through first principles calculations, we found that major spin polarizations occur on atoms that deviate slightly from their original lattice positions, and pinning boundaries could also affect the relaxed positions of atoms and determine which atom(s) would become the main source(s) of total spin polarizations and magnetic moments. When the pinning boundary condition is free, a special non-magnetic and semi-conductive structure may be obtained, suggesting that magnetization should more readily occur under pinning boundary conditions.

Behavior of stress generated in semiconductor chips with high-temperature joints: Influence of mechanical properties of joint materials

NASA Astrophysics Data System (ADS)

Ito, H.; Kuwahara, M.; Ohta, R.; Usui, M.

2018-04-01

High-temperature joint materials are indispensable to realizing next-generation power modules with high-output performance. However, crack initiation resulting from stress concentration in semiconductor chips joined with high-temperature joint materials remains a critical problem in high-temperature operation. Therefore, clarifying the quantitative influence of joint materials on the stress generated in chips is essential. This study investigates the stress behavior of chips joined by Ni-Sn solid-liquid interdiffusion (SLID), which results in a high-temperature joint material likely to generate cracks after joining or when under thermal cycling. The results are compared with those fabricated using three types of solders, Pb-10%Sn, Sn-0.7%Cu, and Sn-10%Sb (mass %), which are conventional joint materials with different melting points and mechanical properties. Using Ni-Sn SLID results in the generation of high compressive stress (500 MPa) without stress relaxation after the joining process in contrast to the case of solders in which the compressive stresses are low (<300 MPa) and decrease to still lower levels (<250 MPa). In addition, no stress relaxation occurs during thermal cycling when using Ni-Sn SLID, whereas stress relaxation is clearly observed during heating to 200 °C using solders. Different stress behaviors between Ni-Sn SLID and other joint materials are illustrated by their mechanical strength and resistance against plastic and creep deformation. These results suggest that stress relaxation in a chip is key in suppressing crack initiation in highly reliable modules during high-temperature operation.

Biphasic Activation of Ribulose Bisphosphate Carboxylase in Spinach Leaves as Determined from Nonsteady-State CO2 Exchange 1

PubMed Central

Woodrow, Ian E.; Mott, Keith A.

1992-01-01

The activation kinetics of ribulose 1,5-bisphosphate carboxylase/oxygenase (Rubisco) following an increase in photon flux density (PFD) were studied by analyzing CO2 assimilation time courses in spinach leaves (Spinacia oleracea). When leaves were exposed to 45 minutes of darkness before illumination at 690 micromoles per square meter per second, Rubisco activation followed apparent first-order kinetics with a relaxation time of about 3.8 minutes. But when leaves were illuminated for 45 minutes at 160 micromoles per square meter per second prior to illumination at 690 micromoles per square meter per second the relaxation time for Rubisco activation was only 2.1 minutes. The kinetics of this change in relaxation times were investigated by exposing dark-adapted leaves to 160 micromoles per square meter per second for different periods before increasing the PFD to 690 micromoles per square meter per second. It was found that the apparent relaxation time for Rubisco activation changed from 3.8 to 2.1 minutes slowly, requiring at least 8 minutes for completion. This result indicates that at least two sequential, slow processes are involved in light-mediated activation of Rubisco in spinach leaves and that the relaxation times characterizing these two processes are about 4 and 2 minutes, respectively. The kinetics of the first process in the reverse direction and the dependence of the relaxation time for the second process on the magnitude of the increase in PFD were also determined. Evidence that the first slow process is activation of the enzyme Rubisco activase and that the second slow process is the catalytic activation of Rubisco by activase is discussed. PMID:16668865

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

Jones, Brad H.; Wheeler, David R.; Black, Hayden T.

Physical stress relaxation in rubbery, thermoset polymers is limited by cross-links, which impede segmental motion and restrict relaxation to network defects, such as chain ends. In parallel, the cure shrinkage associated with thermoset polymerizations leads to the development of internal residual stress that cannot be effectively relaxed. Recent strategies have reduced or eliminated such cure stress in thermoset polymers largely by exploiting chemical relaxation processes, wherein temporary cross-links or otherwise transient bonds are incorporated into the polymer network. In this paper, we explore an alternative approach, wherein physical relaxation is enhanced by the incorporation of organometallic sandwich moieties into themore » backbone of the polymer network. A standard epoxy resin is cured with a diamine derivative of ferrocene and compared to conventional diamine curing agents. The ferrocene-based thermoset is clearly distinguished from the conventional materials by reduced cure stress with increasing cure temperature as well as unique stress relaxation behavior above its glass transition in the fully cured state. The relaxation experiments exhibit features characteristic of a physical relaxation process. Furthermore, the cure stress is observed to vanish precipitously upon deliberate introduction of network defects through an increasing imbalance of epoxy and amine functional groups. Finally, we postulate that these beneficial properties arise from fluxional motion of the cyclopentadienyl ligands on the polymer backbone.« less

Protein dynamics in a broad frequency range: Dielectric spectroscopy studies

DOE PAGES

Nakanishi, Masahiro; Sokolov, Alexei P.

2014-09-17

We present detailed dielectric spectroscopy studies of dynamics in two hydrated proteins, lysozyme and myoglobin. We emphasize the importance of explicit account for possible Maxwell-Wagner (MW) polarization effects in protein powder samples. Combining our data with earlier literature results, we demonstrate the existence of three major relaxation processes in globular proteins. To understand the mechanisms of these relaxations we involve literature data on neutron scattering, simulations and NMR studies. The faster process is ascribed to coupled protein-hydration water motions and has relaxation time similar to 10-50 Ps at room temperature. The intermediate process is similar to 10(2)-10(3) times slower thanmore » the faster process and might be strongly affected by MW polarizations. Based on the analysis of data obtained by different experimental techniques and simulations, we ascribe this process to large scale domain-like motions of proteins. The slowest observed process is similar to 10(6)-10(7) times slower than the faster process and has anomalously large dielectric amplitude Delta epsilon similar to 10(2)-10(4). The microscopic nature of this process is not clear, but it seems to be related to the glass transition of hydrated proteins. The presentedresults suggest a general classification of the relaxation processes in hydrated proteins. (c) 2014 Elsevier B.V. All rights reserved.« less

Slow Debye-type peak observed in the dielectric response of polyalcohols

NASA Astrophysics Data System (ADS)

Bergman, Rikard; Jansson, Helén; Swenson, Jan

2010-01-01

Dielectric relaxation spectroscopy of glass forming liquids normally exhibits a relaxation scenario that seems to be surprisingly general. However, the relaxation dynamics is more complicated for hydrogen bonded liquids. For instance, the dielectric response of monoalcohols is dominated by a mysterious Debye-like process at lower frequencies than the structural α-relaxation that is normally dominating the spectra of glass formers. For polyalcohols this process has been thought to be absent or possibly obscured by a strong contribution from conductivity and polarization effects at low frequencies. We here show that the Debye-like process, although much less prominent, is also present in the response of polyalcohols. It can be observed in the derivative of the real part of the susceptibility or directly in the imaginary part if the conductivity contribution is reduced by covering the upper electrode with a thin Teflon layer. We report on results from broadband dielectric spectroscopy studies of several polyalcohols: glycerol, xylitol, and sorbitol. The findings are discussed in relation to other experimental observations of ultraslow (i.e., slower than the viscosity related α-relaxation) dynamics in glass formers.

Role of step stiffness and kinks in the relaxation of vicinal (001) with zigzag [110] steps

NASA Astrophysics Data System (ADS)

Mahjoub, B.; Hamouda, Ajmi BH.; Einstein, TL.

2017-08-01

We present a kinetic Monte Carlo study of the relaxation dynamics and steady state configurations of 〈110〉 steps on a vicinal (001) simple cubic surface. This system is interesting because 〈110〉 (fully kinked) steps have different elementary excitation energetics and favor step diffusion more than 〈100〉 (nominally straight) steps. In this study we show how this leads to different relaxation dynamics as well as to different steady state configurations, including that 2-bond breaking processes are rate determining for 〈110〉 steps in contrast to 3-bond breaking processes for 〈100〉-steps found in previous work [Surface Sci. 602, 3569 (2008)]. The analysis of the terrace-width distribution (TWD) shows a significant role of kink-generation-annihilation processes during the relaxation of steps: the kinetic of relaxation, toward the steady state, is much faster in the case of 〈110〉-zigzag steps, with a higher standard deviation of the TWD, in agreement with a decrease of step stiffness due to orientation. We conclude that smaller step stiffness leads inexorably to faster step dynamics towards the steady state. The step-edge anisotropy slows the relaxation of steps and increases the strength of step-step effective interactions.

Glass transition-related thermorheological complexity in polystyrene melts

NASA Astrophysics Data System (ADS)

Lin, Y.-H.

2007-11-01

The relaxation-modulus G(t) functional forms covering the whole time range are given by incorporating a stretched exponential for the structural- (glassy-) relaxation process into the extended reptation theory (ERT; for entangled systems) or the Rouse theory (for entanglement-free systems). The creep compliance J(t) curves of two entangled (A and B) and one entanglement-free (C) polystyrene samples (Plazek) as well as the viscoelastic spectra G*(ω) of four entanglement-free polystyrene samples (Inoue et al) have been quantitatively analyzed in terms of the given G(t) functional forms. In such quantitatively successful analyses, the ERT or the Rouse theory works as the frame of reference in both the line shape and timescale. The thermorheological complexity in the J(t) curves is explained naturally and precisely by the temperature dependence of the energetic-interaction-derived structural relaxation being stronger than that of the entropic ERT or Rouse dynamics in a simple way. Structural-relaxation times τS (= 18s'K') of all the studied samples are equally well separated into two decoupled quantities: the structural-growth parameter s' and the frictional factor K' (for the Rouse-Mooney or Rouse modes of motion). The separation is fundamentally a clean-cut process: s' is determined entirely by the line shape of J(t) or G*(ω) while K' is calculated from the timescale shifting factor obtained from the superposition of the calculated curves onto the measured. The glassy-relaxation strength AGf and the stretching parameter β extracted from the J(t) and G*(ω) results over the glassy-relaxation region are in good agreement. The glass-transition temperature Tg is defined as corresponding to τS = 1000 s for all the studied samples. The τS, s' and K' data points of samples A, B and C extracted from their J(t) curves individually fall closely on the same curves when expressed as a function of ΔT = T-Tg, revealing a Tg-related universality within the polystyrene system, entangled or not. The revealed universality confirms the previously derived conclusion that the ERT and the Rouse theory have the same footing at the Rouse-segmental level. Representing important physical features of the universality, the length-scale of the structural relaxation increases as ΔT diminishes and reaches the value of ~3 nm at ΔT = 0 (or at Tg) for all three samples, A, B and C. Extracted from the G*(ω) results, the τS, s' and K' data of samples with molecular weights just below and well below entanglement molecular weight Me (13 500) are found to deviate more from the respective universal curves with decreasing molecular weight. Deviation is estimated to start occurring at Mw = 12 000.

Primary and secondary relaxation process in plastically crystalline cyanocyclohexane studied by 2H nuclear magnetic resonance. I.

PubMed

Micko, B; Lusceac, S A; Zimmermann, H; Rössler, E A

2013-02-21

We study the main (α-) and secondary (β-) relaxation in the plastically crystalline (PC) phase of cyanocyclohexane by various 2H nuclear magnetic resonance (NMR) methods (line-shape, spin-lattice relaxation, stimulated echo, and two-dimensional spectra) above and below the glass transition temperature T(g) = 134 K. Our results regarding the α-process demonstrate that molecular motion is not governed by the symmetry of the lattice. Rather it is similar to the one reported for structural glass formers and can be modeled by a reorientation proceeding via a distribution of small and large angular jumps. A solid-echo line-shape analysis regarding the β-process below T(g) yields again very similar results when compared to those of the structural glass formers ethanol and toluene. Hence we cannot confirm an intramolecular origin for the β-process in cyanocyclohexane. The fast β-process in the PC phase allows for the first time a detailed 2H NMR study of the process also at T > T(g): an additional minimum in the spin-lattice relaxation time reflecting the β-process is found. Furthermore the solid-echo spectra show a distinct deviation from the rigid limit Pake pattern, which allows a direct determination of the temperature dependent spatial restriction of the process. In Part II of this work, a quantitative analysis is carried out, where we demonstrate that within the model of a "wobbling in a cone" the mean cone angle increases above T(g) and the corresponding relaxation strength is compared to dielectric results.

Cross-bridge kinetics in the presence of MgADP investigated by photolysis of caged ATP in rabbit psoas muscle fibres.

PubMed Central

Dantzig, J A; Hibberd, M G; Trentham, D R; Goldman, Y E

1991-01-01

1. The interaction between MgADP and rigor cross-bridges in glycerol-extracted single fibres from rabbit psoas muscle has been investigated using laser pulse photolysis of caged ATP (P3-1(2-nitrophenyl)ethyladenosine 5'-triphosphate) in the presence of MgADP and following small length changes applied to the rigor fibre. 2. Addition of 465 microM-MgADP to a rigor fibre caused rigor tension to decrease by 15.3 +/- 0.7% (S.E.M., n = 24 trials in thirteen fibres). The half-saturation value for this tension reduction was 18 +/- 4 microM (n = 23, thirteen fibres). 3. Relaxation from rigor by photolysis of caged ATP in the absence of Ca2+ was markedly slowed by inclusion of 20 microM-2 mM-MgADP in the photolysis medium. 4. Four phases of tension relaxation occurred with MgADP in the medium: at, a quick partial relaxation (in pre-stretch fibres); bt, a slowing of relaxation or a rise in tension for 50-100 ms; ct, a sudden acceleration of relaxation; and dt, a final, nearly exponential relaxation. 5. Experiments at varied MgATP and MgADP concentrations suggested that phase at is due to MgATP binding to nucleotide-free cross-bridges. 6. Phase bt was abbreviated by including 1-20 mM-orthophosphate (Pi) in the photolysis medium, or by applying quick stretches before photolysis or during phase bt. These results suggest that phases bt and ct are complex processes involving ADP dissociation, cross-bridge reattachment and co-operative detachment involving filament sliding and the Ca(2+)-regulatory system. 7. Stretching relaxed muscle fibres to 3.2-3.4 microns striation spacing followed by ATP removal and release of the rigor fibre until tension fell below the relaxed level allowed investigation of the strain dependence of relaxation in the regions of negative cross-bridge strain. In the presence of 50 microM-2 mM-MgADP and either 10 mM-Pi or 20 mM-2,3-butanedione monoxime, relaxation following photolysis of caged ATP was 6- to 8-fold faster for negatively strained cross-bridges than for positively strained ones. This marked strain dependence of cross-bridge detachment is predicted from the model of A. F. Huxley (1957). 8. In the presence of Ca2+, activation of contraction following photolysis of caged ATP was slowed by inclusion of 20-500 microM-MgADP in the medium. An initial decrease in tension related to cross-bridge detachment by MgATP was markedly suppressed in the presence of MgADP. 9. Ten millimolar Pi partly suppressed active tension generation in the presence of MgADP.(ABSTRACT TRUNCATED AT 400 WORDS) PMID:1886072

Evidence of direct smooth muscle relaxant effects of the fibrate gemfibrozil.

PubMed

Phelps, Laura E; Peuler, Jacob D

2010-01-01

Fibrates are commonly employed to treat abnormal lipid metabolism via their unique ability to stimulate peroxisome proliferator-activated receptor alpha (PPARalpha). Interestingly, they also decrease systemic arterial pressure, despite recent evidence that PPAR alpha may contribute to expression of renin and related hypertension. Yet, mechanisms responsible for their potential antihypertensive activity remain unresolved. Rapid decreases in arterial pressure following bolus intravenous injections of bezafibrate strongly suggest they may relax arterial smooth muscle directly. But since bezafibrate is highly susceptible to photodegradation in aqueous media, it has never been critically tested for this possibility in vitro with isolated arterial smooth muscle preparations. Accordingly, we tested gemfibrozil which is resistant to photodegradation. We examined it over a therapeutically-relevant range (50-400 microM) for both acute and delayed relaxant effects on contractions of the isolated rat tail artery; contractions induced by either depolarizing its smooth muscle cell membranes with high potassium or stimulating its membrane-bound receptors with norepinephrine and arginine-vasopressin. We also examined these same gemfibrozil levels for effects on spontaneously-occurring phasic rhythmic contractile activity, typically not seen in arteries under in vitro conditions but commonly exhibited by smooth muscle of uterus, duodenum and bladder. We found that gemfibrozil significantly relaxed all induced forms of contraction in the rat tail artery, acutely at the higher test levels and after a delay of a few hours at the lower test levels. The highest test level of gemfibrozil (400 microM) also completely abolished spontaneously-occurring contractile activity of the isolated uterus and duodenum and markedly suppressed it in the bladder. This is the first evidence that a fibrate drug can directly relax smooth muscle contractions, either induced by various contractile agents or spontaneously-occurring. These findings are particularly relevant to both the recently renewed concern over the impact of fibrates on hypertension and a new understanding of their gastrointestinal side effects.

Observing heme doming in myoglobin with femtosecond X-ray absorption spectroscopy

DOE PAGES

Levantino, M.; Lemke, H. T.; Schirò, G.; ...

2015-07-01

We report time-resolved X-ray absorption measurements after photolysis of carbonmonoxy myoglobin performed at the LCLS X-ray free electron laser with nearly 100 fs (FWHM) time resolution. Data at the Fe K-edge reveal that the photoinduced structural changes at the heme occur in two steps, with a faster (~70 fs) relaxation preceding a slower (~400 fs) one. We tentatively attribute the first relaxation to a structural rearrangement induced by photolysis involving essentially only the heme chromophore and the second relaxation to a residual Fe motion out of the heme plane that is coupled to the displacement of myoglobin F-helix.

Numerical modeling of bubble dynamics in viscoelastic media with relaxation

NASA Astrophysics Data System (ADS)

Warnez, M. T.; Johnsen, E.

2015-06-01

Cavitation occurs in a variety of non-Newtonian fluids and viscoelastic materials. The large-amplitude volumetric oscillations of cavitation bubbles give rise to high temperatures and pressures at collapse, as well as induce large and rapid deformation of the surroundings. In this work, we develop a comprehensive numerical framework for spherical bubble dynamics in isotropic media obeying a wide range of viscoelastic constitutive relationships. Our numerical approach solves the compressible Keller-Miksis equation with full thermal effects (inside and outside the bubble) when coupled to a highly generalized constitutive relationship (which allows Newtonian, Kelvin-Voigt, Zener, linear Maxwell, upper-convected Maxwell, Jeffreys, Oldroyd-B, Giesekus, and Phan-Thien-Tanner models). For the latter two models, partial differential equations (PDEs) must be solved in the surrounding medium; for the remaining models, we show that the PDEs can be reduced to ordinary differential equations. To solve the general constitutive PDEs, we present a Chebyshev spectral collocation method, which is robust even for violent collapse. Combining this numerical approach with theoretical analysis, we simulate bubble dynamics in various viscoelastic media to determine the impact of relaxation time, a constitutive parameter, on the associated physics. Relaxation time is found to increase bubble growth and permit rebounds driven purely by residual stresses in the surroundings. Different regimes of oscillations occur depending on the relaxation time.

Effect of hypothyroidism on the nitrergic relaxant responses of corpus cavernosal smooth muscle in rabbits.

PubMed

Sarac, Bulent; Yildirim, Mustafa K; Bagcivan, Ihsan; Kaya, Kemal; Kilicarslan, Hakan; Yildirim, Sahin

2006-01-01

The incidence of hormonal dysfunction as a cause of impotence remains controversial. However, several recent studies have reported evidence of hormonal abnormalities in 25-35% of impotent men. Hypothyroidism has been reported to occur in 6% of impotent men. In the present study, we examined nitrergic responses in hypothyroidism in rabbit corpus cavernosum and compared them with controls. Carbachol-induced relaxation responses and electrical field stimulation (EFS)-induced frequency-dependent relaxations decreased significantly in hypothyroid rabbits. Papaverine and sodium nitroprusside (SNP)-induced relaxation responses did not change significantly in hypothyroid rabbits. The contraction responses of phenylephrine and EFS-induced frequency-dependent contractions were significantly decreased in the hypothyroid group. We can speculate that the reduction of relaxant responses to EFS and carbachol in hypothyroid rabbits can depend on a decreased release of nitric oxide (NO) from nitrergic nerves and endothelium or a reduction of muscarinic receptor density. Also, decreases in contraction responses may depend on diminished adrenoceptor density.

Shear banding leads to accelerated aging dynamics in a metallic glass

NASA Astrophysics Data System (ADS)

Küchemann, Stefan; Liu, Chaoyang; Dufresne, Eric M.; Shin, Jeremy; Maaß, Robert

2018-01-01

Traditionally, strain localization in metallic glasses is related to the thickness of the shear defect, which is confined to the nanometer scale. Using site-specific x-ray photon correlation spectroscopy, we reveal significantly accelerated relaxation dynamics around a shear band in a metallic glass at a length scale that is orders of magnitude larger than the defect itself. The relaxation time in the shear-band vicinity is up to ten times smaller compared to the as-cast matrix, and the relaxation dynamics occurs in a characteristic three-stage aging response that manifests itself in the temperature-dependent shape parameter known from classical stretched exponential relaxation dynamics of disordered materials. We demonstrate that the time-dependent correlation functions describing the aging at different temperatures can be captured and collapsed using simple scaling functions. These insights highlight how a ubiquitous nanoscale strain-localization mechanism in metallic glasses leads to a fundamental change of the relaxation dynamics at the mesoscale.

Shear banding leads to accelerated aging dynamics in a metallic glass

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

Küchemann, Stefan; Liu, Chaoyang; Dufresne, Eric M.

Traditionally, strain localization in metallic glasses is related to the thickness of the shear defect, which is confined to the nanometer scale. In this study, using site-specific x-ray photon correlation spectroscopy (XPCS), we reveal significantly accelerated relaxation dynamics around a shear band in a metallic glass at a length scale that is orders of magnitude larger than the defect itself. The relaxation time in the shear-band vicinity is up to ten-times smaller compared to the as-cast matrix, and the relaxation dynamics occurs in a characteristic three-stage aging response that manifests itself in the temperature-dependent shape parameter known from classical stretchedmore » exponential relaxation dynamics of disordered materials. We demonstrate that the time-dependent correlation functions describing the aging at different temperatures can be captured and collapsed using simple scaling functions. Finally, these insights highlight how an ubiquitous nano-scale strain-localization mechanism in metallic glasses leads to a fundamental change of the relaxation dynamics at the mesoscale.« less

Shear banding leads to accelerated aging dynamics in a metallic glass

DOE PAGES

Küchemann, Stefan; Liu, Chaoyang; Dufresne, Eric M.; ...

2018-01-11

Traditionally, strain localization in metallic glasses is related to the thickness of the shear defect, which is confined to the nanometer scale. In this study, using site-specific x-ray photon correlation spectroscopy (XPCS), we reveal significantly accelerated relaxation dynamics around a shear band in a metallic glass at a length scale that is orders of magnitude larger than the defect itself. The relaxation time in the shear-band vicinity is up to ten-times smaller compared to the as-cast matrix, and the relaxation dynamics occurs in a characteristic three-stage aging response that manifests itself in the temperature-dependent shape parameter known from classical stretchedmore » exponential relaxation dynamics of disordered materials. We demonstrate that the time-dependent correlation functions describing the aging at different temperatures can be captured and collapsed using simple scaling functions. Finally, these insights highlight how an ubiquitous nano-scale strain-localization mechanism in metallic glasses leads to a fundamental change of the relaxation dynamics at the mesoscale.« less

Astrophysical particle acceleration mechanisms in colliding magnetized laser-produced plasmas

DOE PAGES

Fox, W.; Park, J.; Deng, W.; ...

2017-08-11

Significant particle energization is observed to occur in numerous astrophysical environments, and in the standard models, this acceleration occurs alongside energy conversion processes including collisionless shocks or magnetic reconnection. Recent platforms for laboratory experiments using magnetized laser-produced plasmas have opened opportunities to study these particle acceleration processes in the laboratory. Through fully kinetic particle-in-cell simulations, we investigate acceleration mechanisms in experiments with colliding magnetized laser-produced plasmas, with geometry and parameters matched to recent high-Mach number reconnection experiments with externally controlled magnetic fields. 2-D simulations demonstrate significant particle acceleration with three phases of energization: first, a “direct” Fermi acceleration driven bymore » approaching magnetized plumes; second, x-line acceleration during magnetic reconnection of anti-parallel fields; and finally, an additional Fermi energization of particles trapped in contracting and relaxing magnetic islands produced by reconnection. Furthermore, the relative effectiveness of these mechanisms depends on plasma and magnetic field parameters of the experiments.« less

Time-resolved observation of protein allosteric communication

PubMed Central

Buchenberg, Sebastian; Sittel, Florian; Stock, Gerhard

2017-01-01

Allostery represents a fundamental mechanism of biological regulation that is mediated via long-range communication between distant protein sites. Although little is known about the underlying dynamical process, recent time-resolved infrared spectroscopy experiments on a photoswitchable PDZ domain (PDZ2S) have indicated that the allosteric transition occurs on multiple timescales. Here, using extensive nonequilibrium molecular dynamics simulations, a time-dependent picture of the allosteric communication in PDZ2S is developed. The simulations reveal that allostery amounts to the propagation of structural and dynamical changes that are genuinely nonlinear and can occur in a nonlocal fashion. A dynamic network model is constructed that illustrates the hierarchy and exceeding structural heterogeneity of the process. In compelling agreement with experiment, three physically distinct phases of the time evolution are identified, describing elastic response (≲0.1 ns), inelastic reorganization (∼100 ns), and structural relaxation (≳1μs). Issues such as the similarity to downhill folding as well as the interpretation of allosteric pathways are discussed. PMID:28760989

Nonequilibrium thermodynamics of dilute polymer solutions in flow.

PubMed

Latinwo, Folarin; Hsiao, Kai-Wen; Schroeder, Charles M

2014-11-07

Modern materials processing applications and technologies often occur far from equilibrium. To this end, the processing of complex materials such as polymer melts and nanocomposites generally occurs under strong deformations and flows, conditions under which equilibrium thermodynamics does not apply. As a result, the ability to determine the nonequilibrium thermodynamic properties of polymeric materials from measurable quantities such as heat and work is a major challenge in the field. Here, we use work relations to show that nonequilibrium thermodynamic quantities such as free energy and entropy can be determined for dilute polymer solutions in flow. In this way, we determine the thermodynamic properties of DNA molecules in strong flows using a combination of simulations, kinetic theory, and single molecule experiments. We show that it is possible to calculate polymer relaxation timescales purely from polymer stretching dynamics in flow. We further observe a thermodynamic equivalence between nonequilibrium and equilibrium steady-states for polymeric systems. In this way, our results provide an improved understanding of the energetics of flowing polymer solutions.

The consequences of crystal relaxation on CO2 partitioning in plagioclase-hosted melt inclusions

NASA Astrophysics Data System (ADS)

Drignon, M. J.; Nielsen, R.; Moore, L.; Bodnar, R. J.; Tepley, F. J., III; Kotash, A.

2017-12-01

Melt inclusions (MI) are samples of magmas representing the early stages of the development of the system, both spatially and compositionally. However, little work has been done to test and understand whether MI in plagioclase faithfully sample and maintain a record of the magmatic history. Here, we examine the effects of post entrapment processes such as sidewall crystallization (PEC) and crystal relaxation that may occur during transport and eruption and, thus alter the composition of MI. To better understand the effects of PEC and crystal relaxation, time-series experiments were conducted on plagioclase-hosted MI from plagioclase ultraphyric basalts to evaluate the extent of crystal relaxation. Run times ranged from 30 min to 4 days. To evaluate the magnitude of the effect, we analyzed the CO2 content in the vapor bubbles using Raman spectroscopy. CO2 in the MI glass was determined by SIMS. The working assumption was that relaxation would lead to a pressure drop within the MI leading to an increase in CO2 in the vapor bubbles as CO2 moved from the melt to the bubble. In addition, a drop in pressure was expected to affect the major element composition of the MI. Our results demonstrated that Na2O, CaO and Al2O3 in the MI decreased, and SiO2 and MgO increased as a function of run time. However, the magnitude of the changes cannot be explained by plagioclase melting alone. In addition, our preliminary data show more CO2 in the vapor bubbles after the 4 day runs than after 30 min runs. Using our SIMS data, and applying the total CO2 reconstruction methodology described in Moore et al. (2015), we estimate that 61% of the total CO2 in the MI is contained within the vapor bubbles after the 4 day runs and 37 % of the CO2 is in the vapor bubbles after 30 min. We hypothesize that after 4 days the CO2 exsolved from the melt into the vapor bubble and is not re-dissolved into the melt due to crystal relaxation and the concomitant pressure decrease in the MI. This suggests that plagioclase-hosted MI hold their volatiles after long runs. The total CO2 reconstruction indicates that the MI were trapped between 3000 and 6000 bars which correspond to 9-18 km. These pressures represent the pressures of last equilibration and suggest that plagioclase megacrysts crystallized in the upper mantle, and are not related to processes within or above the magma lens.

Self-diffusion studies by intra- and inter-molecular spin-lattice relaxometry using field-cycling: Liquids, plastic crystals, porous media, and polymer segments.

PubMed

Kimmich, Rainer; Fatkullin, Nail

2017-08-01

Field-cycling NMR relaxometry is a well-established technique for probing molecular dynamics in a frequency range from typically a few kHz up to several tens of MHz. For the interpretation of relaxometry data, it is quite often assumed that the spin-lattice relaxation process is of an intra-molecular nature so that rotational fluctuations dominate. However, dipolar interactions as the main type of couplings between protons and other dipolar species without quadrupole moments can imply appreciable inter-molecular contributions. These fluctuate due to translational displacements and to a lesser degree also by rotational reorientations in the short-range limit. The analysis of the inter-molecular proton spin-lattice relaxation rate thus permits one to evaluate self-diffusion variables such as the diffusion coefficient or the mean square displacement on a time scale from nanoseconds to several hundreds of microseconds. Numerous applications to solvents, plastic crystals and polymers will be reviewed. The technique is of particular interest for polymer dynamics since inter-molecular spin-lattice relaxation diffusometry bridges the time scales of quasi-elastic neutron scattering and field-gradient NMR diffusometry. This is just the range where model-specific intra-coil mechanisms are assumed to occur. They are expected to reveal themselves by characteristic power laws for the time-dependence of the mean-square segment displacement. These can be favorably tested on this basis. Results reported in the literature will be compared with theoretical predictions. On the other hand, there is a second way for translational diffusion phenomena to affect the spin-lattice relaxation dispersion. If rotational diffusion of molecules is restricted, translational diffusion properties can be deduced even from molecular reorientation dynamics detected by intra-molecular spin-lattice relaxation. This sort of scenario will be relevant for adsorbates on surfaces or polymer segments under entanglement and chain connectivity constraints. Under such conditions, reorientations will be correlated with translational displacements leading to the so-called RMTD relaxation process (reorientation mediated by translational displacements). Applications to porous glasses, protein solutions, lipid bilayers, and clays will be discussed. Finally, we will address the intriguing fact that the various time limits of the segment mean-square displacement of polymers in some cases perfectly reproduce predictions of the tube/reptation model whereas the reorientation dynamics suggests strongly deviating power laws. Copyright © 2017 Elsevier B.V. All rights reserved.

Flow acceleration structure of Aurelia aurita: implications on propulsion

NASA Astrophysics Data System (ADS)

Kim, Jin-Tae; Piper, Matthew; Chamorro, Leonardo P.

2017-11-01

The jetting and paddling mechanisms used by Aurelia aurita jellyfish allows for one of the most efficient propulsion among other metazoans. Characterization of the induced flow acceleration is critical to uncover distinctive patterns. We found four acceleration structures using 3D measurements of body and flow dynamics in Lagrangian frame of reference. Two intense structures occur near the bell margin and are generated by paddling; the other two around the center of the jellyfish and half magnitude are a result of jetting. Their interaction leads to the maximum flow velocity in the middle of the relaxation, where relatively straight flow trajectories occur. The jellyfish achieves an efficient relaxation by generating flow deceleration with minor body deceleration.

Sensitizing solid state nuclear magnetic resonance of dilute nuclei by spin-diffusion assisted polarization transfers.

PubMed

Lupulescu, Adonis; Frydman, Lucio

2011-10-07

Recent years have witnessed efforts geared at increasing the sensitivity of NMR experiments, by relying on the suitable tailoring and exploitation of relaxation phenomena. These efforts have included the use of paramagnetic agents, enhanced (1)H-(1)H incoherent and coherent transfers processes in 2D liquid state spectroscopy, and homonuclear (13)C-(13)C spin diffusion effects in labeled solids. The present study examines some of the opportunities that could open when exploiting spontaneous (1)H-(1)H spin-diffusion processes, to enhance relaxation and to improve the sensitivity of dilute nuclei in solid state NMR measurements. It is shown that polarization transfer experiments executed under sufficiently fast magic-angle-spinning conditions, enable a selective polarization of the dilute low-γ spins by their immediate neighboring protons. Repolarization of the latter can then occur during the time involved in monitoring the signal emitted by the low-γ nuclei. The basic features involved in the resulting approach, and its potential to improve the effective sensitivity of solid state NMR measurements on dilute nuclei, are analyzed. Experimental tests witness the advantages that could reside from utilizing this kind of approach over conventional cross-polarization processes. These measurements also highlight a number of limitations that will have to be overcome for transforming selective polarization transfers of this kind into analytical methods of choice. © 2011 American Institute of Physics

Communication: Relaxation-limited electronic currents in extended reservoir simulations

NASA Astrophysics Data System (ADS)

Gruss, Daniel; Smolyanitsky, Alex; Zwolak, Michael

2017-10-01

Open-system approaches are gaining traction in the simulation of charge transport in nanoscale and molecular electronic devices. In particular, "extended reservoir" simulations, where explicit reservoir degrees of freedom are present, allow for the computation of both real-time and steady-state properties but require relaxation of the extended reservoirs. The strength of this relaxation, γ, influences the conductance, giving rise to a "turnover" behavior analogous to Kramers turnover in chemical reaction rates. We derive explicit, general expressions for the weak and strong relaxation limits. For weak relaxation, the conductance increases linearly with γ and every electronic state of the total explicit system contributes to the electronic current according to its "reduced" weight in the two extended reservoir regions. Essentially, this represents two conductors in series—one at each interface with the implicit reservoirs that provide the relaxation. For strong relaxation, a "dual" expression-one with the same functional form-results, except now proportional to 1/γ and dependent on the system of interest's electronic states, reflecting that the strong relaxation is localizing electrons in the extended reservoirs. Higher order behavior (e.g., γ2 or 1/γ2) can occur when there is a gap in the frequency spectrum. Moreover, inhomogeneity in the frequency spacing can give rise to a pseudo-plateau regime. These findings yield a physically motivated approach to diagnosing numerical simulations and understanding the influence of relaxation, and we examine their occurrence in both simple models and a realistic, fluctuating graphene nanoribbon.

Relaxation - Induced by Vibroacoustic Stimulation via a Body Monochord and via Relaxation Music - Is Associated with a Decrease in Tonic Electrodermal Activity and an Increase of the Salivary Cortisol Level in Patients with Psychosomatic Disorders.

PubMed

Sandler, Hubertus; Fendel, Uta; Buße, Petra; Rose, Matthias; Bösel, Rainer; Klapp, Burghard F

2017-01-01

Vibroacoustic stimulation by a Body Monochord can induce relaxation states of various emotional valence. The skin conductance level (SCL) of the tonic electrodermal activity is an indicator of sympathetic arousal of the autonomic nervous system and thus an indicator of the relaxation response. Salivary cortisol is considered to be a stress indicator of the HPA-axis. The effects of the treatment with a Body Monochord and listening to relaxation music (randomized chronological presentation) on SCL and salivary cortisol in relation to the emotional valence of the experience were examined in patients with psychosomatic disorders (N = 42). Salivary cortisol samples were collected immediately before and after the expositions. Subjective experience was measured via self-rating scales. Overall, both the exposure to the Body Monochord as well as the exposure to the relaxation music induced an improvement of patients' mood and caused a highly significant reduction of SCL. A more emotionally positive experience of relaxation correlated with a slightly stronger reduction of the SCL. Both treatment conditions caused a slight increase in salivary cortisol, which was significant after exposure to the first treatment. The increase of salivary cortisol during a relaxation state is contrary to previous findings. It is possible that the relaxation state was experienced as an emotional challenge, due to inner images and uncommon sensations that might have occurred.

Direct Simulation of Magnetic Resonance Relaxation Rates and Line Shapes from Molecular Trajectories

PubMed Central

Rangel, David P.; Baveye, Philippe C.; Robinson, Bruce H.

2012-01-01

We simulate spin relaxation processes, which may be measured by either continuous wave or pulsed magnetic resonance techniques, using trajectory-based simulation methodologies. The spin–lattice relaxation rates are extracted numerically from the relaxation simulations. The rates obtained from the numerical fitting of the relaxation curves are compared to those obtained by direct simulation from the relaxation Bloch–Wangsness–Abragam– Redfield theory (BWART). We have restricted our study to anisotropic rigid-body rotational processes, and to the chemical shift anisotropy (CSA) and a single spin–spin dipolar (END) coupling mechanisms. Examples using electron paramagnetic resonance (EPR) nitroxide and nuclear magnetic resonance (NMR) deuterium quadrupolar systems are provided. The objective is to compare those rates obtained by numerical simulations with the rates obtained by BWART. There is excellent agreement between the simulated and BWART rates for a Hamiltonian describing a single spin (an electron) interacting with the bath through the chemical shift anisotropy (CSA) mechanism undergoing anisotropic rotational diffusion. In contrast, when the Hamiltonian contains both the chemical shift anisotropy (CSA) and the spin–spin dipolar (END) mechanisms, the decay rate of a single exponential fit of the simulated spin–lattice relaxation rate is up to a factor of 0.2 smaller than that predicted by BWART. When the relaxation curves are fit to a double exponential, the slow and fast rates extracted from the decay curves bound the BWART prediction. An extended BWART theory, in the literature, includes the need for multiple relaxation rates and indicates that the multiexponential decay is due to the combined effects of direct and cross-relaxation mechanisms. PMID:22540276

Primary and secondary relaxation process in plastically crystalline cyanocyclohexane studied by 2H nuclear magnetic resonance. II. Quantitative analysis.

PubMed

Micko, B; Kruk, D; Rössler, E A

2013-02-21

We analyze the results of our previously reported 2H nuclear magnetic resonance (NMR) experiments in the plastically crystalline (PC) phase of cyanocyclohexane (Part I of this work) to study the fast secondary relaxation (or β-process) in detail. Both, the occurrence of an additional minimum in the spin-lattice relaxation T1 and the pronounced effects arising in the solid-echo spectrum above the glass transition temperature T(g) = 134 K, allow for a direct determination of the restricting geometry of the β-process in terms of the "wobbling-in-a-cone" model. Whereas at temperatures below T(g) the reorientation is confined to rather small solid angles (below 10°), the spatial restriction decreases strongly with temperature above T(g), i.e., the distribution of cone angles shifts continuously towards higher values. The β-process in the PC phase of cyanocyclohexane proceeds via the same mechanism as found in structural glass formers. This is substantiated by demonstrating the very similar behavior (for T < T(g)) of spin-lattice relaxation, stimulated echo decays, and spectral parameters when plotted as a function of (taken from dielectric spectroscopy). We do, however, not observe a clear-cut relation between the relaxation strength of the β-process observed by NMR (calculated within the wobbling-in-a-cone model) and dielectric spectroscopy.

Tunable Excited-State Properties and Dynamics as a Function of Pt–Pt Distance in Pyrazolate-Bridged Pt(II) Dimers

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

Brown-Xu, Samantha E.; Kelley, Matthew S. J.; Fransted, Kelly A.

The influence of molecular structure on excited state properties and dynamics of a series of cyclometalated platinum dimers was investigated through a combined experimental and theoretical approach using femtosecond transient absorption (fs TA) spectroscopy and density functional theory (DFT) calculations. The molecules have the general formula [Pt(ppy)(µ-R2pz)]2 where ppy = 2-phenylpyridine, pz = pyrazolate and R = H, Me, Ph, or tBu, and are strongly photoluminescent at room temperature. The distance between the platinum centers in this A frame geometry can be varied depending on the steric bulk of the bridging pyrazolate ligands that exert structural constraints and compress themore » Pt-Pt distance. At large Pt-Pt distances there is little interaction between the subunits and the chromophore behaves similar to a monomer with excited states described as mixtures of ligand-centered and metal-to-ligand charge transfer (LC/MLCT) transitions. When the Pt(II) centers are brought closer together with bulky bridging ligands, they interact through their orbitals and the S1 and T1 states are best characterized as metal metal to ligand charge transfer (MMLCT) in character. The results of the fs TA experiments reveal that intersystem crossing (ISC) occurs on ultrafast timescales (τS1 < 200 fs) while there are two relaxation processes occurring within the triplet manifold, τ1 = 0.5 – 3.2 ps and τ2 = 20 – 70 ps; the longer time constants correspond to the presence of bulkier bridging ligands. DFT calculations illustrate that the Pt-Pt distances further contract in the T1 3MMLCT states, therefore slower relaxation may be related to a larger structural reorganization. Subsequent investigations using faster time resolution are planned to measure the ISC process as well as to identify any potential coherent interaction(s) between the platinum centers that may occur.« less

Understanding the process of fascial unwinding.

PubMed

Minasny, Budiman

2009-09-23

Fascial or myofascial unwinding is a process in which a client undergoes a spontaneous reaction in response to the therapist's touch. It can be induced by using specific techniques that encourage a client's body to move into areas of ease. Unwinding is a popular technique in massage therapy, but its mechanism is not well understood. In the absence of a scientific explanation or hypothesis of the mechanism of action, it can be interpreted as "mystical." This paper proposes a model that builds on the neurobiologic, ideomotor action, and consciousness theories to explain the process and mechanism of fascial unwinding. HYPOTHETICAL MODEL: During fascial unwinding, the therapist stimulates mechanoreceptors in the fascia by applying gentle touch and stretching. Touch and stretching induce relaxation and activate the parasympathetic nervous system. They also activate the central nervous system, which is involved in the modulation of muscle tone as well as movement. As a result, the central nervous system is aroused and thereby responds by encouraging muscles to find an easier, or more relaxed, position and by introducing the ideomotor action. Although the ideomotor action is generated via normal voluntary motor control systems, it is altered and experienced as an involuntary response. Fascial unwinding occurs when a physically induced suggestion by a therapist prompts ideomotor action that the client experiences as involuntary. This action is guided by the central nervous system, which produces continuous action until a state of ease is reached. Consequently, fascial unwinding can be thought of as a neurobiologic process employing the self-regulation dynamic system theory.

Theoretical study on the sound absorption of electrolytic solutions. II. Assignments of relaxations.

PubMed

Yamaguchi, T; Matsuoka, T; Koda, S

2007-08-14

The theory on the ultrasonic absorption spectrum of electrolytic solutions recently proposed by us is applied to the model system that resembles to the aqueous solution of MgSO4. The charges on ions are reduced to +/-1.5e in order to obtain the equilibrium structure by the integral equation theory. The theory reproduces the existence of two relaxations around 100 kHz and 1 GHz. The physical origin of the relaxation is analyzed based on the theoretical expression. The slower relaxation is shown to originate in the formation of contact ion pair, in harmony with the conventional assignment. The amplitude of this relaxation agrees with the experimental one fairly well. The absorption cross section is a weakly increasing function of the concentration of the salt in theory, whereas it depends little on the concentration in experiment, which is ascribed to the weaker association of the pair in the theory. The deviation from the Debye relaxation is found for the faster process, and the concentration dependence is small. The analysis shows that this relaxation stems from the coupling between the pressure and the long-range concentration fluctuation, and the concentration independence and the non-Debye relaxation are explained based on the theoretical analysis. In particular, the theory demonstrates that this process has the t(-3/2) tail in the time domain, which is confirmed by numerical calculation. The deviation of the theoretical relaxation amplitude from the experimental one is elucidated in terms of the theoretical expression of the coefficient.

[Specifics of bio-controlled training in directed relaxation].

PubMed

Baranov, V M; Sentiabrev, N N; Solopov, I N

2005-01-01

Studies of personal and general patterns of acquisition of skills in biocontrolled relaxation based on biological feedback (EMG) permitted classification of human subjects by the ability to relax voluntarily muscles. In the process of skill acquisition changes were minimal at the beginning, grew progressively further on and stabilized on completion of the course of training.

Vibrational Relaxation and Dynamical Transitions in Atactic Polystyrene

NASA Astrophysics Data System (ADS)

Zhao, Hanqing; Park, Yung; Painter, Paul

2009-03-01

Infrared bands and Raman lines recorded in the frequency domain have a counterpart in the time domain in the form of time-correlation functions, which are sensitive to molecular dynamics on the picosecond time scale. This is explored by calculating time correlation functions and their variation with temperature for the conformationally insensitive modes observed near 1601 cm-1 and 1583 cm-1 in the infrared spectrum of atactic polystyrene. The correlation functions were modeled by assuming that there is a fast relaxation process characterized by a single relaxation time that is inhomogeneously broadened by a slower process, also characterized by a single relaxation time. The fundamental mode, near 1583 cm-1, is inhomogeneously broadened, but the relaxation time calculated for this mode is sensitive to temperature as a result of anharmonic coupling to a combination mode. A change in the modulation of the 1583 cm-1 band becomes apparent about 10--20 degrees below the thermally measured Tg. Relaxation times at first increase then decrease and becomes negligible at temperatures near 180 degrees. These results are consistent with theories of the glass transition.

Glass transition and relaxation processes of nanocomposite polymer electrolytes.

PubMed

Money, Benson K; Hariharan, K; Swenson, Jan

2012-07-05

This study focus on the effect of δ-Al(2)O(3) nanofillers on the dc-conductivity, glass transition, and dielectric relaxations in the polymer electrolyte (PEO)(4):LiClO(4). The results show that there are three dielectric relaxation processes, α, β, and γ, in the systems, although the structural α-relaxation is hidden in the strong conductivity contribution and could therefore not be directly observed. However, by comparing an enhanced dc-conductivity, by approximately 2 orders of magnitude with 4 wt % δ-Al(2)O(3) added, with a decrease in calorimetric glass transition temperature, we are able to conclude that the dc-conductivity is directly coupled to the hidden α-relaxation, even in the presence of nanofillers (at least in the case of δ-Al(2)O(3) nanofillers at concentrations up to 4 wt %). This filler induced speeding up of the segmental polymer dynamics, i.e., the α-relaxation, can be explained by the nonattractive nature of the polymer-filler interactions, which enhance the "free volume" and mobility of polymer segments in the vicinity of filler surfaces.

Processes of Molecular Relaxation in Binary Crystalline Systems KNO3-KClO4, KNO3-KNO2, and K2CO3-K2SO4

NASA Astrophysics Data System (ADS)

Aliev, A. R.; Akhmedov, I. R.; Kakagasanov, M. G.; Aliev, Z. A.; Gafurov, M. M.; Rabadanov, K. Sh.; Amirov, A. M.

2018-03-01

The processes of molecular relaxation in binary crystalline systems KNO3-KClO4, KNO3-KNO2, and K2CO3-K2SO4 are studied via differential thermal analysis and Raman spectroscopy. It is found that the relaxation time of the vibrations ν1( A) of anions NO- 3 and CO2- 3 in systems KNO3-KClO4, KNO3-KNO2, and K2CO3-K2SO4 is less than that in KNO3 and K2CO3, respectively. It is shown that the increased rate of relaxation is explained by an additional relaxation mechanism presented in the system. This mechanism is associated with the excitation of vibrations of anions ClO- 4, NO- 2, and SO2- 4 and the lattice phonons that emerge. It is found that this relaxation mechanism requires correspondence of the frequency difference of these vibrations to the region of sufficiently high density of states of the phonon spectrum.

Secondary relaxations in supercooled and glassy sucrose-borate aqueous solutions.

PubMed

Longinotti, M Paula; Corti, Horacio R; Pablo, Juan J de

2008-10-13

The dielectric relaxation spectra of concentrated aqueous solutions of sucrose-borate mixtures have been measured in the supercooled and glassy regions in the frequency range of 40Hz to 2MHz. The secondary (beta) relaxation process was analyzed in the temperature range 183-233K at water contents between 20 and 30wt%. The relaxation times were obtained, and the activation energy of that process was calculated. In order to assess the effect of borate on the relaxation of disaccharide-water mixtures, we also studied the dielectric behavior of sucrose aqueous solutions in the same range of temperatures and water contents. Our findings support the view that, beyond a water content of approximately 20wt%, the secondary relaxation of water-sucrose and water-sucrose-borate mixtures adopts a universal character that can be explained in terms of a simple exponential function of the temperature scaled by the glass transition temperature (T(g)). The behavior observed for water-sucrose and water-sucrose-borate mixtures is compared with previous results obtained in other water-carbohydrate systems.

A study of internal energy relaxation in shocks using molecular dynamics based models

NASA Astrophysics Data System (ADS)

Li, Zheng; Parsons, Neal; Levin, Deborah A.

2015-10-01

Recent potential energy surfaces (PESs) for the N2 + N and N2 + N2 systems are used in molecular dynamics (MD) to simulate rates of vibrational and rotational relaxations for conditions that occur in hypersonic flows. For both chemical systems, it is found that the rotational relaxation number increases with the translational temperature and decreases as the rotational temperature approaches the translational temperature. The vibrational relaxation number is observed to decrease with translational temperature and approaches the rotational relaxation number in the high temperature region. The rotational and vibrational relaxation numbers are generally larger in the N2 + N2 system. MD-quasi-classical trajectory (QCT) with the PESs is also used to calculate the V-T transition cross sections, the collision cross section, and the dissociation cross section for each collision pair. Direct simulation Monte Carlo (DSMC) results for hypersonic flow over a blunt body with the total collision cross section from MD/QCT simulations, Larsen-Borgnakke with new relaxation numbers, and the N2 dissociation rate from MD/QCT show a profile with a decreased translational temperature and a rotational temperature close to vibrational temperature. The results demonstrate that many of the physical models employed in DSMC should be revised as fundamental potential energy surfaces suitable for high temperature conditions become available.

Relaxation of Isolated Ventricular Cardiomyocytes by a Voltage-Dependent Process

NASA Astrophysics Data System (ADS)

Bridge, John H. B.; Spitzer, Kenneth W.; Ershler, Philip R.

1988-08-01

Cell contraction and relaxation were measured in single voltage-clamped guinea pig cardiomyocytes to investigate the contribution of sarcolemmal Na+-Ca2+ exchange to mechanical relaxation. Cells clamped from -80 to 0 millivolts displayed initial phasic and subsequent tonic contractions; caffeine reduced or abolished the phasic and enlarged the tonic contraction. The rate of relaxation from tonic contractions was steeply voltage-dependent and was significantly slowed in the absence of a sarcolemmal Na+ gradient. Tonic contractions elicited in the absence of a Na+ gradient promptly relaxed when external Na+ was applied, reflecting activation of Na+-Ca2+ exchange. It appears that a voltage-dependent Na+-Ca2+ exchange can rapidly mechanically relax mammalian heart muscle.

Detection of weak signals through nonlinear relaxation times for a Brownian particle in an electromagnetic field.

PubMed

Jiménez-Aquino, J I; Romero-Bastida, M

2011-07-01

The detection of weak signals through nonlinear relaxation times for a Brownian particle in an electromagnetic field is studied in the dynamical relaxation of the unstable state, characterized by a two-dimensional bistable potential. The detection process depends on a dimensionless quantity referred to as the receiver output, calculated as a function of the nonlinear relaxation time and being a characteristic time scale of our system. The latter characterizes the complete dynamical relaxation of the Brownian particle as it relaxes from the initial unstable state of the bistable potential to its corresponding steady state. The one-dimensional problem is also studied to complement the description.

Investigation of excited-state relaxation processes of organic dyes by time-resolved spectroscopy

NASA Astrophysics Data System (ADS)

Przhonska, O.; Slominsky, Yu.; Kachkovsky, A.; Stahl, U.; Senoner, M.; Dähne, S.

1996-04-01

The results of the measurements of the fluorescence decay kinetics of the new series of polymethine dyes in liquid and solid polymeric media are reported. The effects of polymeric media on absorption-relaxation-emission processes are studied at wide excitation, emission and temperature regions.

Slowing hot-carrier relaxation in graphene using a magnetic field

NASA Astrophysics Data System (ADS)

Plochocka, P.; Kossacki, P.; Golnik, A.; Kazimierczuk, T.; Berger, C.; de Heer, W. A.; Potemski, M.

2009-12-01

A degenerate pump-probe technique is used to investigate the nonequilibrium carrier dynamics in multilayer graphene. Two distinctly different dynamics of the carrier relaxation are observed. A fast relaxation (˜50fs) of the carriers after the initial effect of phase-space filling followed by a slower relaxation (˜4ps) due to thermalization. Both relaxation processes are less efficient when a magnetic field is applied at low temperatures which is attributed to the suppression of the electron-electron Auger scattering due to the nonequidistant Landau-level spacing of the Dirac fermions in graphene.

Does the Arrhenius Temperature Dependence of the Johari-Goldstein Relaxation Persist above Tg?

NASA Astrophysics Data System (ADS)

Paluch, M.; Roland, C. M.; Pawlus, S.; Zioło, J.; Ngai, K. L.

2003-09-01

Dielectric spectra of the polyalcohols sorbitol and xylitol were measured under isobaric pressures up to 1.8GPa. At elevated pressure, the separation between the α and β relaxation peaks is larger than at ambient pressure, enabling the β relaxation times to be unambiguously determined. Taking advantage of this, we show that the Arrhenius temperature dependence of the β relaxation time does not persist for temperatures above Tg. This result, consistent with inferences drawn from dielectric relaxation measurements at ambient pressure, is obtained directly, without the usual problematic deconvolution the β and α processes.

Relaxation, Structure and Properties of Semi-coherent Interfaces

DOE PAGES

Shao, Shuai; Wang, Jian

2015-11-05

Materials containing high density of interfaces are promising candidates for future energy technologies, because interfaces acting as sources, sinks, and barriers for defects can improve mechanical and irradiation properties of materials. Semi-coherent interface widely occurring in various materials is composed of a network of misfit dislocations and coherent regions separated by misfit dislocations. Lastly, in this article, we review relaxation mechanisms, structure and properties of (111) semi-coherent interfaces in face centered cubic structures.

A Qualitative Analysis of Stress and Relaxation Themes Contributing to Burnout in First-Year Psychiatry and Medicine Residents.

PubMed

Benson, Nicole M; Chaukos, Deanna; Vestal, Heather; Chad-Friedman, Emma F; Denninger, John W; Borba, Christina P C

2018-05-14

Qualitative research on trainee well-being can add nuance to the understanding of propagators of burnout, and the role for interventions aimed at supporting well-being. This qualitative study was conducted to identify (i) situations and environments that cause stress for trainees, (ii) stress-reducing activities that trainees utilize, and (iii) whether trainees who report distress (high burnout and depression scores) describe different stressors and relaxation factors than those who do not. The study was conducted with a convenience sample of first-year medicine and psychiatry residents at a large urban teaching hospital. Participants were asked to complete electronic stress and relaxation diaries daily for 1 week. Diary entries were coded for recurrent themes. Participants were screened for burnout and depression. Codes were compared by subgroup based on baseline burnout and depression status to elucidate if specific themes emerged in these subgroups. Study sample included 51 interns. Sixteen (16/50, 32%) screened positive for burnout and three (3/50, 14%) had a positive depression screen. The most common stressors related to aspects of the learning environment, compounded by feeling under-equipped, overwhelmed, or out of time. The majority of relaxation activities involved social connection, food, other comforts, and occurred outside of the hospital environment. This study reveals that interns (regardless of burnout or depression screen) identify stressors that derive primarily from organizational, interpersonal, and cultural experiences of the learning environment; whereas relaxation themes are diversely represented across realms (home, leisure, social, health), though emphasize activities that occur outside of the work place.

Interpretation of Offshore Crustal Movements Following the 2011 Tohoku-Oki Earthquake by the Combined Effect of Afterslip and Viscoelastic Stress Relaxation

NASA Astrophysics Data System (ADS)

Noda, Akemi; Takahama, Tsutomu; Kawasato, Takeshi; Matsu'ura, Mitsuhiro

2018-02-01

On the 11th March 2011, a megathrust event, called the Tohoku-oki earthquake, occurred at the North American-Pacific plate interface off northeast Japan. Transient crustal movements following this earthquake were clearly observed by a dense GPS network (GEONET) on land and a sparse GPS/Acoustic positioning network on seafloor. The observed crustal movements are in accordance with ordinary expectations on land, but not on seafloor; that is, slowly decaying landward movements above the main rupture area and rapidly decaying trench-ward movements in its southern extension. To reveal the cause of such curious offshore crustal movements, we analyzed the coseismic and postseismic GPS array data on land with a sequential stepwise inversion method considering viscoelastic stress relaxation in the asthenosphere, and obtained the following results: The afterslip of the Tohoku-oki earthquake rapidly proceeds for the first 1 year on a high-angle downdip extension of the main rupture, which occurred on the low-angle offshore plate interface. The theoretical patterns of seafloor horizontal movements due to the afterslip and the viscoelastic relaxation of coseismic stress changes in the asthenosphere are essentially different both in space and time; inshore trench-ward movements and offshore landward movements for the afterslip, while overall landward movements for the viscoelastic stress relaxation. General agreement between the computed horizontal movements and the GPS/Acoustic observations demonstrates that the postseismic curious offshore crustal movements can be ascribed to the combined effect of afterslip on a high-angle downdip extension of the main rupture and viscoelastic stress relaxation in the asthenosphere.

Scale interactions of turbulence subjected to a straining relaxation destraining cycle

NASA Astrophysics Data System (ADS)

Chen, Jun; Meneveau, Charles; Katz, Joseph

2006-09-01

The response of turbulence subjected to planar straining and de-straining is studied experimentally, and the impact of the applied distortions on the energy transfer across different length scales is quantified. The data are obtained using planar particle image velocimetry (PIV) in a water tank, in which high-Reynolds-number turbulence with very low mean velocity is generated by an array of spinning grids. Planar straining and de-straining mean flows are produced by pushing and pulling a rectangular piston towards, and away from, the bottom wall of the tank. The data are processed to yield the time evolution of Reynolds stresses, anisotropy tensors, turbulence kinetic energy production, and mean subgrid-scale (SGS) dissipation rate at various scales. During straining, the production rises rapidly. After the relaxation period the small-scale SGS stresses recover isotropy, but the Reynolds stresses still display significant anisotropy. Thus when destraining is applied, a strong negative production (mean backscatter) occurs, i.e. the turbulence returns kinetic energy to the mean flow. The SGS dissipation displays similar behaviour at large filter scales, but the mean backscatter gradually disappears with decreasing filter scales. Energy spectra are compared to predictions of rapid distortion theory (RDT). Good agreement is found for the initial response but, as expected for the time-scale ratios of the experiment, turbulence relaxation causes discrepancies between measurements and RDT at later times.

Three pools of zeaxanthin in Quercus coccifera leaves during light transitions with different roles in rapidly reversible photoprotective energy dissipation and photoprotection

PubMed Central

Morales, Fermín

2013-01-01

Under excess light, the efficient PSII light-harvesting antenna is switched into a photoprotected state in which potentially harmful absorbed energy is thermally dissipated. Changes occur rapidly and reversibly, enhanced by de-epoxidation of violaxanthin (V) to zeaxanthin (Z). This process is usually measured as non-photochemical quenching (NPQ) of chlorophyll (Chl) fluorescence. Using instrumentation for instantaneous leaf freezing, NPQ, spectral reflectance, and interconversions within the xanthophyll cycle with time resolution of seconds were recorded from Quercus coccifera leaves during low light (LL) to high light (HL) transitions, followed by relaxation at LL. During the first 30 s of both the LL to HL and HL to LL transitions, no activity of the xanthophyll cycle was detected, whereas 70–75% of the NPQ was formed and relaxed, respectively, by that time, the latter being traits of a rapidly reversible photoprotective energy dissipation. Three different Z pools were identified, which play different roles in energy dissipation and photoprotection. In conclusion, ΔpH was crucial to NPQ formation and relaxation in Q. coccifera during light transitions. Only a minor fraction of Z was associated to quenching, whereas the largest Z pool was not related to thermal dissipation. The latter is proposed to participate in photoprotection acting as antioxidant. PMID:23390289

Structurally Oriented Nano-Sheets in Co Thin Films: Changing Their Anisotropic Physical Properties by Thermally-Induced Relaxation

PubMed Central

Vergara, José; Favieres, Cristina; Magén, César; de Teresa, José María; Ibarra, Manuel Ricardo

2017-01-01

We show how nanocrystalline Co films formed by separated oblique nano-sheets display anisotropy in their resistivity, magnetization process, surface nano-morphology and optical transmission. After performing a heat treatment at 270 °C, these anisotropies decrease. This loss has been monitored measuring the resistivity as a function of temperature. The resistivity measured parallel to the direction of the nano-sheets has been constant up to 270 °C, but it decreases when measured perpendicular to the nano-sheets. This suggests the existence of a structural relaxation, which produces the change of the Co nano-sheets during annealing. The changes in the nano-morphology and the local chemical composition of the films at the nanoscale after heating above 270 °C have been analysed by scanning transmission electron microscopy (STEM). Thus, an approach and coalescence of the nano-sheets have been directly visualized. The spectrum of activation energies of this structural relaxation has indicated that the coalescence of the nano-sheets has taken place between 1.2 and 1.7 eV. In addition, an increase in the size of the nano-crystals has occurred in the samples annealed at 400 °C. This study may be relevant for the application in devices working, for example, in the GHz range and to achieve the retention of the anisotropy of these films at higher temperatures. PMID:29206155

Structurally Oriented Nano-Sheets in Co Thin Films: Changing Their Anisotropic Physical Properties by Thermally-Induced Relaxation.

PubMed

Vergara, José; Favieres, Cristina; Magén, César; de Teresa, José María; Ibarra, Manuel Ricardo; Madurga, Vicente

2017-12-05

We show how nanocrystalline Co films formed by separated oblique nano-sheets display anisotropy in their resistivity, magnetization process, surface nano-morphology and optical transmission. After performing a heat treatment at 270 °C, these anisotropies decrease. This loss has been monitored measuring the resistivity as a function of temperature. The resistivity measured parallel to the direction of the nano-sheets has been constant up to 270 °C, but it decreases when measured perpendicular to the nano-sheets. This suggests the existence of a structural relaxation, which produces the change of the Co nano-sheets during annealing. The changes in the nano-morphology and the local chemical composition of the films at the nanoscale after heating above 270 °C have been analysed by scanning transmission electron microscopy (STEM). Thus, an approach and coalescence of the nano-sheets have been directly visualized. The spectrum of activation energies of this structural relaxation has indicated that the coalescence of the nano-sheets has taken place between 1.2 and 1.7 eV. In addition, an increase in the size of the nano-crystals has occurred in the samples annealed at 400 °C. This study may be relevant for the application in devices working, for example, in the GHz range and to achieve the retention of the anisotropy of these films at higher temperatures.

Viscoelastic lower crust and mantle relaxation following the 14-16 April 2016 Kumamoto, Japan, earthquake sequence

NASA Astrophysics Data System (ADS)

Pollitz, Fred F.; Kobayashi, Tomokazu; Yarai, Hiroshi; Shibazaki, Bunichiro; Matsumoto, Takumi

2017-09-01

The 2016 Kumamoto, Japan, earthquake sequence, culminating in the Mw=7.0 16 April 2016 main shock, occurred within an active tectonic belt of central Kyushu. GPS data from GEONET reveal transient crustal motions from several millimeters per year up to ˜3 cm/yr during the first 8.5 months following the sequence. The spatial pattern of horizontal postseismic motions is shaped by both shallow afterslip and viscoelastic relaxation of the lower crust and upper mantle. We construct a suite of 2-D regional viscoelastic structures in order to derive an optimal joint afterslip and viscoelastic relaxation model using forward modeling of the viscoelastic relaxation. We find that afterslip dominates the postseismic relaxation in the near field (within 30 km of the main shock epicenter), while viscoelastic relaxation dominates at greater distance. The viscoelastic modeling strongly favors a very weak lower crust below a ˜65 km wide zone coinciding with the Beppu-Shimabara graben and the locus of central Kyushu volcanism. Inferred uppermost mantle viscosity is relatively low beneath southern Kyushu, consistent with independent inferences of a hydrated mantle wedge within the Nankai trough fore -arc.

Characteristics of Viscoelastic Crustal Deformation Following a Megathrust Earthquake: Discrepancy Between the Apparent and Intrinsic Relaxation Time Constants

NASA Astrophysics Data System (ADS)

Fukahata, Yukitoshi; Matsu'ura, Mitsuhiro

2018-02-01

The viscoelastic deformation of an elastic-viscoelastic composite system is significantly different from that of a simple viscoelastic medium. Here, we show that complicated transient deformation due to viscoelastic stress relaxation after a megathrust earthquake can occur even in a very simple situation, in which an elastic surface layer (lithosphere) is underlain by a viscoelastic substratum (asthenosphere) under gravity. Although the overall decay rate of the system is controlled by the intrinsic relaxation time constant of the asthenosphere, the apparent decay time constant at each observation point is significantly different from place to place and generally much longer than the intrinsic relaxation time constant of the asthenosphere. It is also not rare that the sense of displacement rate is reversed during the viscoelastic relaxation. If we do not bear these points in mind, we may draw false conclusions from observed deformation data. Such complicated transient behavior can be explained mathematically from the characteristics of viscoelastic solution: for an elastic-viscoelastic layered half-space, the viscoelastic solution is expressed as superposition of three decaying components with different relaxation time constants that depend on wavelength.

Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water.

PubMed

Farag, Marwa H; Zúñiga, José; Requena, Alberto; Bastida, Adolfo

2013-05-28

Nonequilibrium Molecular Dynamics (MD) simulations coupled to instantaneous normal modes (INMs) analysis are used to study the vibrational relaxation of the acetyl and amino-end amide I modes of the alanine dipeptide (AlaD) molecule dissolved in water (D2O). The INMs are assigned in terms of the equilibrium normal modes using the Effective Atomic Min-Cost algorithm as adapted to make use of the outputs of standard MD packages, a method which is well suited for the description of flexible molecules. The relaxation energy curves of both amide I modes show multiexponential decays, in good agreement with the experimental findings. It is found that ~85%-90% of the energy relaxes through intramolecular vibrational redistribution. The main relaxation pathways are also identified. The rate at which energy is transferred into the solvent is similar for the acetyl-end and amino-end amide I modes. The conformational changes occurring during relaxation are investigated, showing that the populations of the alpha and beta region conformers are altered by energy transfer in such a way that it takes 15 ps for the equilibrium conformational populations to be recovered after the initial excitation of the AlaD molecule.

Viscoelastic lower crust and mantle relaxation following the 14–16 April 2016 Kumamoto, Japan, earthquake sequence

USGS Publications Warehouse

Pollitz, Fred; Kobayashi, Tomokazu; Yarai, Hiroshi; Shibazaki, Bunichiro; Matsumoto, Takumi

2017-01-01

The 2016 Kumamoto, Japan, earthquake sequence, culminating in the Mw=7.0 16 April 2016 main shock, occurred within an active tectonic belt of central Kyushu. GPS data from GEONET reveal transient crustal motions from several millimeters per year up to ∼3 cm/yr during the first 8.5 months following the sequence. The spatial pattern of horizontal postseismic motions is shaped by both shallow afterslip and viscoelastic relaxation of the lower crust and upper mantle. We construct a suite of 2-D regional viscoelastic structures in order to derive an optimal joint afterslip and viscoelastic relaxation model using forward modeling of the viscoelastic relaxation. We find that afterslip dominates the postseismic relaxation in the near field (within 30 km of the main shock epicenter), while viscoelastic relaxation dominates at greater distance. The viscoelastic modeling strongly favors a very weak lower crust below a ∼65 km wide zone coinciding with the Beppu-Shimabara graben and the locus of central Kyushu volcanism. Inferred uppermost mantle viscosity is relatively low beneath southern Kyushu, consistent with independent inferences of a hydrated mantle wedge within the Nankai trough fore -arc.

MCNP6.1 simulations for low-energy atomic relaxation: Code-to-code comparison with GATEv7.2, PENELOPE2014, and EGSnrc

NASA Astrophysics Data System (ADS)

Jung, Seongmoon; Sung, Wonmo; Lee, Jaegi; Ye, Sung-Joon

2018-01-01

Emerging radiological applications of gold nanoparticles demand low-energy electron/photon transport calculations including details of an atomic relaxation process. Recently, MCNP® version 6.1 (MCNP6.1) has been released with extended cross-sections for low-energy electron/photon, subshell photoelectric cross-sections, and more detailed atomic relaxation data than the previous versions. With this new feature, the atomic relaxation process of MCNP6.1 has not been fully tested yet with its new physics library (eprdata12) that is based on the Evaluated Atomic Data Library (EADL). In this study, MCNP6.1 was compared with GATEv7.2, PENELOPE2014, and EGSnrc that have been often used to simulate low-energy atomic relaxation processes. The simulations were performed to acquire both photon and electron spectra produced by interactions of 15 keV electrons or photons with a 10-nm-thick gold nano-slab. The photon-induced fluorescence X-rays from MCNP6.1 fairly agreed with those from GATEv7.2 and PENELOPE2014, while the electron-induced fluorescence X-rays of the four codes showed more or less discrepancies. A coincidence was observed in the photon-induced Auger electrons simulated by MCNP6.1 and GATEv7.2. A recent release of MCNP6.1 with eprdata12 can be used to simulate the photon-induced atomic relaxation.

Superdomain dynamics in ferroelectric-ferroelastic films: Switching, jamming, and relaxation

NASA Astrophysics Data System (ADS)

Scott, J. F.; Hershkovitz, A.; Ivry, Y.; Lu, H.; Gruverman, A.; Gregg, J. M.

2017-12-01

Recent experimental work shows that ferroelectric switching can occur in large jumps in which ferroelastic superdomains switch together, rather than having the numerous smaller ferroelectric domains switch within them. In this sense, the superdomains play a role analogous to that of Abrikosov vortices in thin superconducting films under the Kosterlitz-Thouless framework, which control the dynamics more than individual Cooper pairs within them do. Here, we examine the dynamics of ferroelastic superdomains in ferroelastic ferroelectrics and their role in switching devices such as memories. Jamming of ferroelectric domains in thin films has revealed an unexpected time dependence of t-1/4 at long times (hours), but it is difficult to discriminate between power-law and exponential relaxation. Other aspects of this work, including spatial period doubling of domains, led to a description of ferroelastic domains as nonlinear processes in a viscoelastic medium, which produce folding and metastable kinetically limited states. This ¼ exponent is a surprising agreement with the well-known value of ¼ for coarsening dynamics in viscoelastic media. We try to establish a link between these two processes, hitherto considered unrelated, and with superdomains and domain bundles. We note also that high-Tc superconductors share many of the ferroelastic domain properties discussed here and that several new solar cell materials and metal-insulator transition systems are ferroelastic.

Spectral hole lifetimes and spin population relaxation dynamics in neodymium-doped yttrium orthosilicate

NASA Astrophysics Data System (ADS)

Cruzeiro, E. Zambrini; Tiranov, A.; Usmani, I.; Laplane, C.; Lavoie, J.; Ferrier, A.; Goldner, P.; Gisin, N.; Afzelius, M.

2017-05-01

We present a detailed study of the lifetime of optical spectral holes due to population storage in Zeeman sublevels of Nd3 +:Y2SiO5 . The lifetime is measured as a function of magnetic field strength and orientation, temperature, and Nd3 + doping concentration. At the lowest temperature of 3 K we find a general trend where the lifetime is short at low field strengths, then increases to a maximum lifetime at a few hundred mT, and then finally decays rapidly for high field strengths. This behavior can be modeled with a relaxation rate dominated by Nd3 +-Nd3 + cross relaxation at low fields and spin lattice relaxation at high magnetic fields. The maximum lifetime depends strongly on both the field strength and orientation, due to the competition between these processes and their different angular dependencies. The cross relaxation limits the maximum lifetime for concentrations as low as 30 ppm of Nd3 + ions. By decreasing the concentration to less than 1 ppm we could completely eliminate the cross relaxation, reaching a lifetime of 3.8 s at 3 K. At higher temperatures the spectral hole lifetime is limited by the magnetic-field-independent Raman and Orbach processes. In addition we show that the cross relaxation rate can be strongly reduced by creating spectrally large holes of the order of the optical inhomogeneous broadening. Our results are important for the development and design of new rare-earth-ion doped crystals for quantum information processing and narrow-band spectral filtering for biological tissue imaging.

A quantum mechanical alternative to the Arrhenius equation in the interpretation of proton spin-lattice relaxation data for the methyl groups in solids.

PubMed

Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir

2015-11-21

The theory of nuclear spin-lattice relaxation in methyl groups in solids has been a recurring problem in nuclear magnetic resonance (NMR) spectroscopy. The current view is that, except for extreme cases of low torsional barriers where special quantum effects are at stake, the relaxation behaviour of the nuclear spins in methyl groups is controlled by thermally activated classical jumps of the methyl group between its three orientations. The temperature effects on the relaxation rates can be modelled by Arrhenius behaviour of the correlation time of the jump process. The entire variety of relaxation effects in protonated methyl groups have recently been given a consistent quantum mechanical explanation not invoking the jump model regardless of the temperature range. It exploits the damped quantum rotation (DQR) theory originally developed to describe NMR line shape effects for hindered methyl groups. In the DQR model, the incoherent dynamics of the methyl group include two quantum rate (i.e., coherence-damping) processes. For proton relaxation only one of these processes is relevant. In this paper, temperature-dependent proton spin-lattice relaxation data for the methyl groups in polycrystalline methyltriphenyl silane and methyltriphenyl germanium, both deuterated in aromatic positions, are reported and interpreted in terms of the DQR model. A comparison with the conventional approach exploiting the phenomenological Arrhenius equation is made. The present observations provide further indications that incoherent motions of molecular moieties in the condensed phase can retain quantum character over much broader temperature range than is commonly thought.

Solid-state electron spin lifetime limited by phononic vacuum modes.

PubMed

Astner, T; Gugler, J; Angerer, A; Wald, S; Putz, S; Mauser, N J; Trupke, M; Sumiya, H; Onoda, S; Isoya, J; Schmiedmayer, J; Mohn, P; Majer, J

2018-04-01

Longitudinal relaxation is the process by which an excited spin ensemble decays into its thermal equilibrium with the environment. In solid-state spin systems, relaxation into the phonon bath usually dominates over the coupling to the electromagnetic vacuum 1-9 . In the quantum limit, the spin lifetime is determined by phononic vacuum fluctuations 10 . However, this limit was not observed in previous studies due to thermal phonon contributions 11-13 or phonon-bottleneck processes 10, 14,15 . Here we use a dispersive detection scheme 16,17 based on cavity quantum electrodynamics 18-21 to observe this quantum limit of spin relaxation of the negatively charged nitrogen vacancy (NV - ) centre 22 in diamond. Diamond possesses high thermal conductivity even at low temperatures 23 , which eliminates phonon-bottleneck processes. We observe exceptionally long longitudinal relaxation times T 1 of up to 8 h. To understand the fundamental mechanism of spin-phonon coupling in this system we develop a theoretical model and calculate the relaxation time ab initio. The calculations confirm that the low phononic density of states at the NV - transition frequency enables the spin polarization to survive over macroscopic timescales.

Relaxation processes in a low-order three-dimensional magnetohydrodynamics model

NASA Technical Reports Server (NTRS)

Stribling, Troy; Matthaeus, William H.

1991-01-01

The time asymptotic behavior of a Galerkin model of 3D magnetohydrodynamics (MHD) has been interpreted using the selective decay and dynamic alignment relaxation theories. A large number of simulations has been performed that scan a parameter space defined by the rugged ideal invariants, including energy, cross helicity, and magnetic helicity. It is concluded that time asymptotic state can be interpreted as a relaxation to minimum energy. A simple decay model, based on absolute equilibrium theory, is found to predict a mapping of initial onto time asymptotic states, and to accurately describe the long time behavior of the runs when magnetic helicity is present. Attention is also given to two processes, operating on time scales shorter than selective decay and dynamic alignment, in which the ratio of kinetic to magnetic energy relaxes to values 0(1). The faster of the two processes takes states initially dominant in magnetic energy to a state of near-equipartition between kinetic and magnetic energy through power law growth of kinetic energy. The other process takes states initially dominant in kinetic energy to the near-equipartitioned state through exponential growth of magnetic energy.

The Spin Relaxation of 8Li+ in Gold at Low Magnetic Field

NASA Astrophysics Data System (ADS)

MacFarlane, W. A.; Chow, K. H.; Hossain, M. D.; Karner, V. L.; Kiefl, R. F.; McFadden, R. M. L.; Morris, G. D.; Saadaoui, H.; Salman, Z.

Here we report the temperature and applied magnetic field dependence of the spin lattice relaxation of implanted into Au foil in the range 4 to 290 K and 3 to 150 G. Below about 50 G, relaxation due to the dynamic host lattice nuclear spins is important, becoming dominant below 20 G. At 150 G, this process is quenched, and the relaxation is Korringa-like. We report the first measurement of its temperature dependence which shows the characteristic features of the site change around 190 K. At lower field the relaxation is two component above 100 K and exhibits a strong peak at the site change, which we attribute to quadrupolar relaxation of the adjacent Au spins. We discuss the ingredients required for a quantitative theory of the low field relaxation.

Mechanism of resveratrol-induced relaxation of the guinea pig fundus.

PubMed

Tsai, Ching-Chung; Tey, Shu-Leei; Lee, Ming-Che; Liu, Ching-Wen; Su, Yu-Tsun; Huang, Shih-Che

2018-04-01

Resveratrol is a polyphenolic compound that can be isolated from plants and also is a constituent of red wine. Resveratrol induces relaxation of vascular smooth muscle and may prevent cardiovascular diseases. Impaired gastric accommodation plays an important role in functional dyspepsia and fundic relaxation and is a therapeutic target of functional dyspepsia. Although drugs for fundic relaxation have been developed, these types of drugs are still rare. The purpose of this study was to investigate the relaxant effects of resveratrol in the guinea pig fundus. We studied the relaxant effects of resveratrol in the guinea pig fundus. In addition, we investigated the mechanism of resveratrol-induced relaxation on the guinea pig fundus by using tetraethylammonium (a non-selective potassium channel blocker), apamine (a selective inhibitor of the small conductance calcium-activated potassium channel), iberiotoxin (an inhibitor of large conductance calcium-activated potassium channels), glibenclamide (an ATP-sensitive potassium channel blocker), KT 5720 (a cAMP-dependent protein kinase A inhibitor), KT 5823 (a cGMP-dependent protein kinase G inhibitor), NG-nitro-L-arginine (a competitive inhibitor of nitric oxide synthase), tetrodotoxin (a selective neuronal Na + channel blocker), ω-conotoxin GVIA (a selective neuronal Ca 2+ channel blocker) and G-15 (a G-protein coupled estrogen receptor antagonist). The results of this study showed that resveratrol has potent and dose-dependent relaxant effects on the guinea pig fundic muscle. In addition, the results showed that resveratrol-induced relaxation of the guinea pig fundus occurs through nitric oxide and ATP-sensitive potassium channels. This study provides the first evidence concerning the relaxant effects of resveratrol in the guinea pig fundic muscle strips. Furthermore, resveratrol may be a potential drug to relieve gastrointestinal dyspepsia. Copyright © 2018 Elsevier GmbH. All rights reserved.

Biofeedback-assisted relaxation training to decrease test anxiety in nursing students.

PubMed

Prato, Catherine A; Yucha, Carolyn B

2013-01-01

Nursing students experiencing debilitating test anxiety may be unable to demonstrate their knowledge and have potential for poor academic performance. A biofeedback-assisted relaxation training program was created to reduce test anxiety. Anxiety was measured using Spielberger's Test Anxiety Inventory and monitoring peripheral skin temperature, pulse, and respiration rates during the training. Participants were introduced to diaphragmatic breathing, progressive muscle relaxation, and autogenic training. Statistically significant changes occurred in respiratory rates and skin temperatures during the diaphragmatic breathing session; respiratory rates and peripheral skin temperatures during progressive muscle relaxation session; respiratory and pulse rates, and peripheral skin temperatures during the autogenic sessions. No statistically significant difference was noted between the first and second TAI. Subjective test anxiety scores of the students did not decrease by the end of training. Autogenic training session was most effective in showing a statistically significant change in decreased respiratory and pulse rates and increased peripheral skin temperature.

Control relaxation via dephasing: A quantum-state-diffusion study

NASA Astrophysics Data System (ADS)

Jing, Jun; Yu, Ting; Lam, Chi-Hang; You, J. Q.; Wu, Lian-Ao

2018-01-01

Dynamical decoupling as a quantum control strategy aims at suppressing quantum decoherence adopting the popular philosophy that the disorder in the unitary evolution of the open quantum system caused by environmental noises should be neutralized by a sequence of ordered or well-designed external operations acting on the system. This work studies the solution of quantum-state-diffusion equations by mixing two channels of environmental noises, i.e., relaxation (dissipation) and dephasing. It is interesting to find in two-level and three-level atomic systems that a non-Markovian relaxation or dissipation process can be suppressed by a Markovian dephasing noise. The discovery results in an anomalous control strategy by coordinating relaxation and dephasing processes. Our approach opens an avenue of noise control strategy with no artificial manipulation over the open quantum systems.

Vibrational relaxation of hot carriers in C60 molecule

NASA Astrophysics Data System (ADS)

Madjet, Mohamed; Chakraborty, Himadri

2017-04-01

Electron-phonon coupling in molecular systems is at the heart of several important physical phenomena, including the mobility of carriers in organic electronic devices. Following the optical absorption, the vibrational relaxation of excited (hot) electrons and holes to the fullerene band-edges driven by electron-phonon coupling, known as the hot carrier thermalization process, is of particular fundamental interest. Using the non-adiabatic molecular dynamical methodology (PYXAID + Quantum Espresso) based on density functional approach, we have performed a simulation of vibrionic relaxations of hot carriers in C60. Time-dependent population decays and transfers in the femtosecond scale from various excited states to the states at the band-edge are calculated to study the details of this relaxation process. This work was supported by the U.S. National Science Foundation.

Electron and hole relaxation pathways in semiconductor quantum dots

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

Klimov, V.I.; McBranch, D.W.; Leatherdale, C.A.

1999-11-01

Femtosecond (fs) broad-band transient absorption (TA) is used to study the intraband relaxation and depopulation dynamics of electron and hole quantized states in CdSe nanocrystals (NC{close_quote}s) with a range of surface properties. Instead of the drastic reduction in the energy relaxation rate expected due to a {open_quotes}phonon bottleneck,{close_quotes} we observe a fast subpicosecond 1P-to-1S electron relaxation, with the rate exceeding that due to phonon emission in bulk semiconductors. The energy relaxation is enhanced with reducing the NC{close_quote}s radius, and does not show any dependence on the NC surface properties (quality of the surface passivation). These data indicate that electron energymore » relaxation occurs by neither multiphonon emission nor by coupling to surface defects, but is likely meditated by Auger-type electron-hole energy transfer. We use fs infrared TA to probe electron and hole intraband transitions, which allows us to distinguish between electron and hole relaxation pathways leading to the depopulation of NC quantized states. In contrast to the electron relaxation, which is controlled by NC surface passivation, the depopulation of hole quantized states is extremely fast (sub-ps-to-ps time scales) in all types of samples, independent of NC surface treatment (including NC{close_quote}s overcoated with a ZnS layer). Our results indicate that ultrafast hole dynamics are not due to trapping at localized surface defects such as a vacancy, but rather arise from relaxation into intrinsic NC states or intrinsically unpassivated interface states. {copyright} {ital 1999} {ital The American Physical Society}« less

OCT-based approach to local relaxations discrimination from translational relaxation motions

NASA Astrophysics Data System (ADS)

Matveev, Lev A.; Matveyev, Alexandr L.; Gubarkova, Ekaterina V.; Gelikonov, Grigory V.; Sirotkina, Marina A.; Kiseleva, Elena B.; Gelikonov, Valentin M.; Gladkova, Natalia D.; Vitkin, Alex; Zaitsev, Vladimir Y.

2016-04-01

Multimodal optical coherence tomography (OCT) is an emerging tool for tissue state characterization. Optical coherence elastography (OCE) is an approach to mapping mechanical properties of tissue based on OCT. One of challenging problems in OCE is elimination of the influence of residual local tissue relaxation that complicates obtaining information on elastic properties of the tissue. Alternatively, parameters of local relaxation itself can be used as an additional informative characteristic for distinguishing the tissue in normal and pathological states over the OCT image area. Here we briefly present an OCT-based approach to evaluation of local relaxation processes in the tissue bulk after sudden unloading of its initial pre-compression. For extracting the local relaxation rate we evaluate temporal dependence of local strains that are mapped using our recently developed hybrid phase resolved/displacement-tracking (HPRDT) approach. This approach allows one to subtract the contribution of global displacements of scatterers in OCT scans and separate the temporal evolution of local strains. Using a sample excised from of a coronary arteria, we demonstrate that the observed relaxation of local strains can be reasonably fitted by an exponential law, which opens the possibility to characterize the tissue by a single relaxation time. The estimated local relaxation times are assumed to be related to local biologically-relevant processes inside the tissue, such as diffusion, leaking/draining of the fluids, local folding/unfolding of the fibers, etc. In general, studies of evolution of such features can provide new metrics for biologically-relevant changes in tissue, e.g., in the problems of treatment monitoring.

Dielectric behavior of MgO:Li/sup +/ crystals

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

Puma, M.; Lorincz, A.; Andrews, J.F.

1980-01-01

Measurements of the dielectric constant in crystals of MgO doped with Li/sup +/ ions have been carried out after quenching from anneals at 1300/sup 0/C in static air. Prior to heat treatment the crystals showed no discernible dielectric loss but afterwards the loss tangent exceeded 0.4. For 10 min anneals the dielectric relaxation is very close to a Debye process and the temperature dependence of the maximum of the loss peak corresponds to an activation energy of 0.72 eV. When plotted in the form of a Cole-Cole arc the data indicate that deviation from a Debye relaxation amounts to amore » distribution of relaxation time no greater than that which can be accounted for with a distribution of activation energies only 0.007 eV. For longer heating times overlapping relaxation processes appear. The lack of broadening of the loss peak and the magnitude of the relaxation time yield clues as to possible loss mechanisms.« less

Dielectric behavior of MgO:Li/sup +/ crystals

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

Puma, M.; Lorincz, A.; Andrews, J.F.

1982-06-01

Measurements of the dielectric constant in crystals of MgO doped with Li/sup +/ ions have been carried out after quenching from anneals at 1300 /sup 0/C in static air. Prior to heat treatment, the crystals showed no discernible dielectric loss, but afterwards, the loss tangent exceeded 0.4. For 10-min anneals, the dielectric relaxation is very close to a Debye process, and the temperature dependence of the maximum of the loss peak corresponds to an activation energy of 0.724 eV. When plotted in the form of a Cole-Cole arc, the data indicate that deviation from a Debye relaxation amounts to amore » distribution of relaxation time no greater than that which can be accounted for with a distribution of activation energies of only 0.007 eV. For longer heating times, overlapping relaxation processes appear. The lack of broadening of the loss peak, and the magnitude of the relaxation time, yield clues as to possible loss mechanisms.« less

Relaxation-phenomena in LiAl/FeS-cells

NASA Astrophysics Data System (ADS)

Borger, W.; Kappus, W.; Panesar, H. S.

A theoretical model of the capacity of strongly relaxing electrochemical systems is applied to the LiAl/FeS system. Relaxation phenomena in LiAl and FeS electrodes can be described by this model. Experimental relaxation data indicate that lithium transport through the alpha-LiAl layer to the particle surface is the capacity limiting process at high discharge current density in the LiAl electrode in LiCl-KCl and LiF-LiCl-LiBr mixtures. Strong relaxation is observed in the FeS electrode with LiCl-KCl electrolyte caused by lithium concentration gradients and precipitation of KCl in the pores.

Genome evolution and speciation genetics of clawed frogs (Xenopus and Silurana).

PubMed

Evans, Ben J

2008-05-01

Speciation of clawed frogs occurred through bifurcation and reticulation of evolutionary lineages, and resulted in extant species with different ploidy levels. Duplicate gene evolution and expression in these animals provides a unique perspective into the earliest genomic transformations after vertebrate whole genome duplication (WGD) and suggests that functional constraints are relaxed compared to before duplication but still consistently strong for millions of years following WGD. Additionally, extensive quantitative expression divergence between duplicate genes occurred after WGD. Diversification of clawed frogs was potentially catalyzed by transposition and divergent resolution--processes that occur through different genetic mechanisms but that have analogous implications for genome structure. How sex determination is maintained after genome duplication is fundamental to our understanding of why allopolyploidization is so prevalent in this group, and why clawed frogs violate Haldane's Rule for hybrid sterility. Future studies of expression subfunctionalization in polyploids will shed light on the role and purviews of cis- and trans-regulatory elements in gene regulation.

Light-induced electronic non-equilibrium in plasmonic particles.

PubMed

Kornbluth, Mordechai; Nitzan, Abraham; Seideman, Tamar

2013-05-07

We consider the transient non-equilibrium electronic distribution that is created in a metal nanoparticle upon plasmon excitation. Following light absorption, the created plasmons decohere within a few femtoseconds, producing uncorrelated electron-hole pairs. The corresponding non-thermal electronic distribution evolves in response to the photo-exciting pulse and to subsequent relaxation processes. First, on the femtosecond timescale, the electronic subsystem relaxes to a Fermi-Dirac distribution characterized by an electronic temperature. Next, within picoseconds, thermalization with the underlying lattice phonons leads to a hot particle in internal equilibrium that subsequently equilibrates with the environment. Here we focus on the early stage of this multistep relaxation process, and on the properties of the ensuing non-equilibrium electronic distribution. We consider the form of this distribution as derived from the balance between the optical absorption and the subsequent relaxation processes, and discuss its implication for (a) heating of illuminated plasmonic particles, (b) the possibility to optically induce current in junctions, and (c) the prospect for experimental observation of such light-driven transport phenomena.

Glass transition dynamics of stacked thin polymer films

NASA Astrophysics Data System (ADS)

Fukao, Koji; Terasawa, Takehide; Oda, Yuto; Nakamura, Kenji; Tahara, Daisuke

2011-10-01

The glass transition dynamics of stacked thin films of polystyrene and poly(2-chlorostyrene) were investigated using differential scanning calorimetry and dielectric relaxation spectroscopy. The glass transition temperature Tg of as-stacked thin polystyrene films has a strong depression from that of the bulk samples. However, after annealing at high temperatures above Tg, the stacked thin films exhibit glass transition at a temperature almost equal to the Tg of the bulk system. The α-process dynamics of stacked thin films of poly(2-chlorostyrene) show a time evolution from single-thin-film-like dynamics to bulk-like dynamics during the isothermal annealing process. The relaxation rate of the α process becomes smaller with increase in the annealing time. The time scale for the evolution of the α dynamics during the annealing process is very long compared with that for the reptation dynamics. At the same time, the temperature dependence of the relaxation time for the α process changes from Arrhenius-like to Vogel-Fulcher-Tammann dependence with increase of the annealing time. The fragility index increases and the distribution of the α-relaxation times becomes smaller with increase in the annealing time for isothermal annealing. The observed change in the α process is discussed with respect to the interfacial interaction between the thin layers of stacked thin polymer films.

Numerical modeling of bubble dynamics in viscoelastic media with relaxation

PubMed Central

Warnez, M. T.; Johnsen, E.

2015-01-01

Cavitation occurs in a variety of non-Newtonian fluids and viscoelastic materials. The large-amplitude volumetric oscillations of cavitation bubbles give rise to high temperatures and pressures at collapse, as well as induce large and rapid deformation of the surroundings. In this work, we develop a comprehensive numerical framework for spherical bubble dynamics in isotropic media obeying a wide range of viscoelastic constitutive relationships. Our numerical approach solves the compressible Keller–Miksis equation with full thermal effects (inside and outside the bubble) when coupled to a highly generalized constitutive relationship (which allows Newtonian, Kelvin–Voigt, Zener, linear Maxwell, upper-convected Maxwell, Jeffreys, Oldroyd-B, Giesekus, and Phan-Thien-Tanner models). For the latter two models, partial differential equations (PDEs) must be solved in the surrounding medium; for the remaining models, we show that the PDEs can be reduced to ordinary differential equations. To solve the general constitutive PDEs, we present a Chebyshev spectral collocation method, which is robust even for violent collapse. Combining this numerical approach with theoretical analysis, we simulate bubble dynamics in various viscoelastic media to determine the impact of relaxation time, a constitutive parameter, on the associated physics. Relaxation time is found to increase bubble growth and permit rebounds driven purely by residual stresses in the surroundings. Different regimes of oscillations occur depending on the relaxation time. PMID:26130967

A new laboratory approach to shale analysis using NMR relaxometry

USGS Publications Warehouse

Washburn, Kathryn E.; Birdwell, Justin E.; Baez, Luis; Beeney, Ken; Sonnenberg, Steve

2013-01-01

Low-field nuclear magnetic resonance (LF-NMR) relaxometry is a non-invasive technique commonly used to assess hydrogen-bearing fluids in petroleum reservoir rocks. Measurements made using LF-NMR provide information on rock porosity, pore-size distributions, and in some cases, fluid types and saturations (Timur, 1967; Kenyon et al., 1986; Straley et al., 1994; Brown, 2001; Jackson, 2001; Kleinberg, 2001; Hurlimann et al., 2002). Recent improvements in LF-NMR instrument electronics have made it possible to apply methods used to measure pore fluids to assess highly viscous and even solid organic phases within reservoir rocks. T1 and T2 relaxation responses behave very differently in solids and liquids; therefore the relationship between these two modes of relaxation can be used to differentiate organic phases in rock samples or to characterize extracted organic materials. Using T1-T2 correlation data, organic components present in shales, such as kerogen and bitumen, can be examined in laboratory relaxometry measurements. In addition, implementation of a solid-echo pulse sequence to refocus T2 relaxation caused by homonuclear dipolar coupling during correlation measurements allows for improved resolution of solid-phase protons. LF-NMR measurements of T1 and T2 relaxation time distributions were carried out on raw oil shale samples from the Eocene Green River Formation and pyrolyzed samples of these shales processed by hydrous pyrolysis and techniques meant to mimic surface and in-situ retorting. Samples processed using the In Situ Simulator approach ranged from bitumen and early oil generation through to depletion of petroleum generating potential. The standard T1-T2 correlation plots revealed distinct peaks representative of solid- and liquid-like organic phases; results on the pyrolyzed shales reflect changes that occurred during thermal processing. The solid-echo T1 and T2 measurements were used to improve assessment of the solid organic phases, specifically kerogen, thermally degraded kerogen, and char. Integrated peak areas from the LF-NMR results representative of kerogen and bitumen were found to be well correlated with S1 and S2 parameters from Rock-Eval programmed pyrolysis. This study demonstrates that LFNMR relaxometry can provide a wide range of information on shales and other reservoir rocks that goes well beyond porosity and pore-fluid analysis.

Diffusional mechanisms augment the fluorine magnetic resonance relaxation in paramagnetic perfluorocarbon nanoparticles that provides a “relaxation switch” for detecting cellular endosomal activation

PubMed Central

Hu, Lingzhi; Zhang, Lei; Chen, Junjie; Lanza, Gregory M.; Wickline, Samuel A.

2011-01-01

Purpose To develop a physical model for the 19F relaxation enhancement in paramagnetic perfluorocarbon nanoparticles (PFC NP) and demonstrate its application in monitoring cellular endosomal functionality through a “19F relaxation switch” phenomenon. Materials and Methods An explicit expression for 19F longitudinal relaxation enhancement was derived analytically. Monte-Carlo simulation was performed to confirm the gadolinium induced magnetic field inhomogenity inside the PFC NP. Field dependent T1 measurements for three types of paramagnetic PFC NPs were carried out to validate the theoretical prediction. Based on the physical model, 19F and 1H relaxation properties of macrophage internalized paramagnetic PFC NPs were measured to evaluate the intracellular process of NPs by macrophages in vitro. Results The theoretical description was confirmed experimentally by field-dependent T1 measurements. The shortening of 19F T1 was found to be attributed to the Brownian motion of PFC molecules inside the NP in conjunction with their ability to permeate into the lipid surfactant coating. A dramatic change of 19F T1 was observed upon endocytosis, revealing the transition from intact bound PFC NP to processed constituents. Conclusion The proposed first-principle analysis of 19F spins in paramagnetic PFC NP relates their structural parameters to the special MR relaxation features. The demonstrated “19F relaxation switch” phenomenon is potentially useful for monitoring cellular endosomal functionality. PMID:21761488

Stochastic tools hidden behind the empirical dielectric relaxation laws

NASA Astrophysics Data System (ADS)

Stanislavsky, Aleksander; Weron, Karina

2017-03-01

The paper is devoted to recent advances in stochastic modeling of anomalous kinetic processes observed in dielectric materials which are prominent examples of disordered (complex) systems. Theoretical studies of dynamical properties of ‘structures with variations’ (Goldenfield and Kadanoff 1999 Science 284 87-9) require application of such mathematical tools—by means of which their random nature can be analyzed and, independently of the details distinguishing various systems (dipolar materials, glasses, semiconductors, liquid crystals, polymers, etc), the empirical universal kinetic patterns can be derived. We begin with a brief survey of the historical background of the dielectric relaxation study. After a short outline of the theoretical ideas providing the random tools applicable to modeling of relaxation phenomena, we present probabilistic implications for the study of the relaxation-rate distribution models. In the framework of the probability distribution of relaxation rates we consider description of complex systems, in which relaxing entities form random clusters interacting with each other and single entities. Then we focus on stochastic mechanisms of the relaxation phenomenon. We discuss the diffusion approach and its usefulness for understanding of anomalous dynamics of relaxing systems. We also discuss extensions of the diffusive approach to systems under tempered random processes. Useful relationships among different stochastic approaches to the anomalous dynamics of complex systems allow us to get a fresh look at this subject. The paper closes with a final discussion on achievements of stochastic tools describing the anomalous time evolution of complex systems.

40 CFR 57.205 - Submission of supplementary information upon relaxation of an SO2 SIP emission limitation.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 5 2011-07-01 2011-07-01 false Submission of supplementary information upon relaxation of an SO2 SIP emission limitation. 57.205 Section 57.205 Protection of Environment... Application and the NSO Process § 57.205 Submission of supplementary information upon relaxation of an SO2 SIP...

Enthalpy relaxation kinetics of Ge20Te(80-y)Sey far-infrared glasses in the glass transition range

NASA Astrophysics Data System (ADS)

Svoboda, Roman; Málek, Jiří

2016-06-01

Differential scanning calorimetry was used to study enthalpy relaxation kinetics of the Ge20Te(80-y)Sey infrared chalcogenide glasses for the compositional range y = 0-8. The relaxation behaviour was described in terms of the phenomenological Tool-Narayanaswamy-Moynihan (TNM) model. The direct curve-fitting procedure was used to determine the values of TNM parameters. Compositional evolution of the TNM parameters was interpreted with respect to the involved structural entities and their motions. Based on the joint Raman scattering study, the addition of Se leads to increased amount of edge-shared GeTe4-xSex tetrahedra. While the primary structural basis for the relaxation movements appears not to be affected by addition of Se (constant value of non-linearity), changes of the non-exponentiality parameter indicate increased structural variability occurring within the groups of directly interlinked tetrahedra, which were found to carry the main portion of relaxation movements. Increased activation energy was explained by the presence of significantly stronger Ge-Se bonds and increased amount of edge-shared tetrahedra.

Thermal relaxation behavior of residual stress in laser hardened 17-4PH steel after shot peening treatment

NASA Astrophysics Data System (ADS)

Wang, Zhou; Chen, Yanhua; Jiang, Chuanhai

2011-09-01

In order to investigate the residual stress relaxations of shot peened layer, isothermal annealing treatments were carried out on tempered and laser hardened 17-4PH steel after shot peening with different temperatures from 300 °C to 600 °C. The results showed that the residual stresses were relaxed in the whole deformation layer especially under higher temperature. The maximum rates of stress relaxation took place at the initial stage of annealing process in all conditions. The relaxation process during isothermal annealing could be described by Zener-Wert-Avrami function. The thermal stability of residual stress in tempered 17-4PH was higher than that in laser hardened 17-4PH as well as that in α-iron, which was due to the pinning effects of ɛ-Cu precipitates on the dislocation movement. As massive ɛ-Cu precipitates formed in the temperature about 480 °C, the activation enthalpies for stress relaxation in laser hardened 17-4PH were the same as that in tempered 17-4PH in the conditions of isothermal annealing temperatures of 500 °C and 600 °C.

Average-atom treatment of relaxation time in x-ray Thomson scattering from warm dense matter.

PubMed

Johnson, W R; Nilsen, J

2016-03-01

The influence of finite relaxation times on Thomson scattering from warm dense plasmas is examined within the framework of the average-atom approximation. Presently most calculations use the collision-free Lindhard dielectric function to evaluate the free-electron contribution to the Thomson cross section. In this work, we use the Mermin dielectric function, which includes relaxation time explicitly. The relaxation time is evaluated by treating the average atom as an impurity in a uniform electron gas and depends critically on the transport cross section. The calculated relaxation rates agree well with values inferred from the Ziman formula for the static conductivity and also with rates inferred from a fit to the frequency-dependent conductivity. Transport cross sections determined by the phase-shift analysis in the average-atom potential are compared with those evaluated in the commonly used Born approximation. The Born approximation converges to the exact cross sections at high energies; however, differences that occur at low energies lead to corresponding differences in relaxation rates. The relative importance of including relaxation time when modeling x-ray Thomson scattering spectra is examined by comparing calculations of the free-electron dynamic structure function for Thomson scattering using Lindhard and Mermin dielectric functions. Applications are given to warm dense Be plasmas, with temperatures ranging from 2 to 32 eV and densities ranging from 2 to 64 g/cc.

Average-atom treatment of relaxation time in x-ray Thomson scattering from warm dense matter

DOE PAGES

Johnson, W. R.; Nilsen, J.

2016-03-14

Here, the influence of finite relaxation times on Thomson scattering from warm dense plasmas is examined within the framework of the average-atom approximation. Presently most calculations use the collision-free Lindhard dielectric function to evaluate the free-electron contribution to the Thomson cross section. In this work, we use the Mermin dielectric function, which includes relaxation time explicitly. The relaxation time is evaluated by treating the average atom as an impurity in a uniform electron gas and depends critically on the transport cross section. The calculated relaxation rates agree well with values inferred from the Ziman formula for the static conductivity andmore » also with rates inferred from a fit to the frequency-dependent conductivity. Transport cross sections determined by the phase-shift analysis in the average-atom potential are compared with those evaluated in the commonly used Born approximation. The Born approximation converges to the exact cross sections at high energies; however, differences that occur at low energies lead to corresponding differences in relaxation rates. The relative importance of including relaxation time when modeling x-ray Thomson scattering spectra is examined by comparing calculations of the free-electron dynamic structure function for Thomson scattering using Lindhard and Mermin dielectric functions. Applications are given to warm dense Be plasmas, with temperatures ranging from 2 to 32 eV and densities ranging from 2 to 64 g/cc.« less

Influence of different environments on the excited-state proton transfer and dual fluorescence of fisetin

NASA Astrophysics Data System (ADS)

Guharay, Jayanti; Dennison, S. Moses; Sengupta, Pradeep K.

1999-05-01

The influence of different protic and aprotic solvent environments on the excited-state intramolecular proton transfer (ESIPT) leading to a dual fluorescence behaviour of a biologically important, naturally occurring, polyhydroxyflavone, fisetin (3,3',4',7-tetrahydroxyflavone), has been investigated. The normal fluorescence band, in particular, is extremely sensitive to solvent polarity with νmax shifting from 24 510 cm -1 in dioxane ( ET(30)=36.0) to 20 790 cm -1 in methanol ( ET(30)=55.5). This is rationalized in terms of solvent dipolar relaxation process, which also accounts for the red edge excitation shifts (REES) observed in viscous environments such as glycerol at low temperatures. Significant solvent dependence of the tautomer fluorescence properties ( νmax, yield and decay kinetics) reveals the influence of external hydrogen bonding perturbation on the internal hydrogen bond of the molecule. These excited-state relaxation phenomena and their relevant parameters have been used to probe the microenvironment of fisetin in a membrane mimetic system, namely AOT reverse micelles in n-heptane at different water/surfactant molar ratio ( w0).

Separation of Dynamics in the Free Energy Landscape

NASA Astrophysics Data System (ADS)

Ekimoto, Toru; Odagaki, Takashi; Yoshimori, Akira

2008-02-01

The dynamics of a representative point in a model free energy landscape (FEL) is analyzed by the Langevin equation with the FEL as the driving potential. From the detailed analysis of the generalized susceptibility, fast, slow and Johari-Goldstein (JG) processes are shown to be well described by the FEL. Namely, the fast process is determined by the stochastic motion confined in a basin of the FEL and the relaxation time is related to the curvature of the FEL at the bottom of the basin. The jump motion among basins gives rise to the slow relaxation whose relaxation time is determined by the distribution of the barriers in the FEL and the JG process is produced by weak modulation of the FEL.

Temperature and voltage stress dependent dielectric relaxation process of the doped Ba0.67Sr0.33TiO3 ceramics

NASA Astrophysics Data System (ADS)

Yan, Shiguang; Mao, Chaoliang; Wang, Genshui; Yao, Chunhua; Cao, Fei; Dong, Xianlin

2013-09-01

The current decay characteristic in the time domain is studied in Y3+ and Mn2+ modified Ba0.67Sr0.33TiO3 ceramics under different temperatures (25 °C-213 °C) and voltage stresses (0 V-800 V). The decay of the current is correlated with the overlapping of the relaxation process and leakage current. With respect to the inherent remarkable dielectric nonlinearity, a simple method through curve fitting is derived to differentiate these two currents. Two mechanisms of the relaxation process are proposed: a distribution of the potential barriers mode around room temperature and an electron injection mode at the elevated temperature of 110 °C.

Spin relaxation 1/f noise in graphene

NASA Astrophysics Data System (ADS)

Omar, S.; Guimarães, M. H. D.; Kaverzin, A.; van Wees, B. J.; Vera-Marun, I. J.

2017-02-01

We report the first measurement of 1/f type noise associated with electronic spin transport, using single layer graphene as a prototypical material with a large and tunable Hooge parameter. We identify the presence of two contributions to the measured spin-dependent noise: contact polarization noise from the ferromagnetic electrodes, which can be filtered out using the cross-correlation method, and the noise originated from the spin relaxation processes. The noise magnitude for spin and charge transport differs by three orders of magnitude, implying different scattering mechanisms for the 1/f fluctuations in the charge and spin transport processes. A modulation of the spin-dependent noise magnitude by changing the spin relaxation length and time indicates that the spin-flip processes dominate the spin-dependent noise.

Mass transport in micellar surfactant solutions: 2. Theoretical modeling of adsorption at a quiescent interface.

PubMed

Danov, K D; Kralchevsky, P A; Denkov, N D; Ananthapadmanabhan, K P; Lips, A

2006-01-31

Here, we apply the detailed theoretical model of micellar kinetics from part 1 of this study to the case of surfactant adsorption at a quiescent interface, i.e., to the relaxation of surface tension and adsorption after a small initial perturbation. Our goal is to understand why for some surfactant solutions the surface tension relaxes as inverse-square-root of time, 1/t(1/2), but two different expressions for the characteristic relaxation time are applicable to different cases. In addition, our aim is to clarify why for other surfactant solutions the surface tension relaxes exponentially. For this goal, we carried out a computer modeling of the adsorption process, based on the general system of equations derived in part 1. This analysis reveals the existence of four different consecutive relaxation regimes (stages) for a given micellar solution: two exponential regimes and two inverse-square-root regimes, following one after another in alternating order. Experimentally, depending on the specific surfactant and method, one usually registers only one of these regimes. Therefore, to interpret properly the data, one has to identify which of these four kinetic regimes is observed in the given experiment. Our numerical results for the relaxation of the surface tension, micelle concentration and aggregation number are presented in the form of kinetic diagrams, which reveal the stages of the relaxation process. At low micelle concentrations, "rudimentary" kinetic diagrams could be observed, which are characterized by merging of some stages. Thus, the theoretical modeling reveals a general and physically rich picture of the adsorption process. To facilitate the interpretation of experimental data, we have derived convenient theoretical expressions for the time dependence of surface tension and adsorption in each of the four regimes.

Low temperature detection of phase transitions and relaxation processes in strontium titanate by means of cathodoluminescence

NASA Astrophysics Data System (ADS)

Yang, B.; Townsend, P. D.; Fromknecht, R.

2004-11-01

Cathodoluminescence is an effective tool for investigating phase changes and relaxation processes in insulators and data are presented for strontium titanate. The results demonstrate considerable sensitivity to the origin of the samples as the detailed spectra and intensity changes with temperature are strongly dependent on the growth conditions, trace impurities and radiation induced defects. It is of particular note that in the defective surface layer the normal second-order phase transition cited near 105 K transforms into a sharply defined first-order transition because of the relaxation of the near surface layer in doped crystals. Detection of the other main relaxation stages is also straightforward via intensity and spectral changes. Secondary effects of phase changes incorporated within the surface layers are clearly evident, particularly for the 197 K sublimation of CO2 nanoparticle inclusions.

Relaxation and decoherence of qubits encoded in collective states of engineered magnetic structures

NASA Astrophysics Data System (ADS)

Shakirov, Alexey M.; Rubtsov, Alexey N.; Lichtenstein, Alexander I.; Ribeiro, Pedro

2017-09-01

The quantum nature of a microscopic system can only be revealed when it is sufficiently decoupled from surroundings. Interactions with the environment induce relaxation and decoherence that turn the quantum state into a classical mixture. Here, we study the timescales of these processes for a qubit encoded in the collective state of a set of magnetic atoms deposited on a metallic surface. For that, we provide a generalization of the commonly used definitions of T1 and T2 characterizing relaxation and decoherence rates. We calculate these quantities for several atomic structures, including a collective spin, a setup implementing a decoherence-free subspace, and two examples of spin chains. Our work contributes to the comprehensive understanding of the relaxation and decoherence processes and shows the advantages of the implementation of a decoherence free subspace in these setups.

Ultrasonic Relaxation Study of 1-Alkyl-3-methylimidazolium-Based Room-Temperature Ionic Liquids: Probing the Role of Alkyl Chain Length in the Cation.

PubMed

Zorębski, Michał; Zorębski, Edward; Dzida, Marzena; Skowronek, Justyna; Jężak, Sylwia; Goodrich, Peter; Jacquemin, Johan

2016-04-14

Ultrasound absorption spectra of four 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imides were determined as a function of the alkyl chain length on the cation from 1-propyl to 1-hexyl from 293.15 to 323.15 K at ambient pressure. Herein, the ultrasound absorption measurements were carried out using a standard pulse technique within a frequency range from 10 to 300 MHz. Additionally, the speed of sound, density, and viscosity have been measured. The presence of strong dissipative processes during the ultrasound wave propagation was found experimentally, i.e., relaxation processes in the megahertz range were observed for all compounds over the whole temperature range. The relaxation spectra (both relaxation amplitude and relaxation frequency) were shown to be dependent on the alkyl side chain length of the 1-alkyl-3-methylimidazolium ring. In most cases, a single-Debye model described the absorption spectra very well. However, a comparison of the determined spectra with the spectra of a few other imidazolium-based ionic liquids reported in the literature (in part recalculated in this work) shows that the complexity of the spectra increases rapidly with the elongation of the alkyl chain length on the cation. This complexity indicates that both the volume viscosity and the shear viscosity are involved in relaxation processes even in relatively low frequency ranges. As a consequence, the sound velocity dispersion is present at relatively low megahertz frequencies.

Stress and structure development in polymeric coatings

NASA Astrophysics Data System (ADS)

Vaessen, Diane Melissa

2002-09-01

The main goal of this research is to measure the stress evolution in various polymer coating systems to establish the mechanisms responsible for stress development, stress relaxation, and defect formation. Investigated systems include ultraviolet (UV)-curable coatings, dense and porous coatings from polymer solutions, and latex coatings. Coating stress was measured using a controlled environment stress apparatus based on a cantilever deflection principle. For acrylate coatings, it was found that by cycling a UV-lamp on and off, keeping the total dose constant, coating stress was lowered by 60% by decreasing the cycle period. A stress minimum was also found to exist for a given dose of radiation. The lower stress is attributed to stress relaxation and/or slower reaction during dark periods. A viscoelastic stress model of this process was formulated and predicted stress values close to those observed experimentally. During drying of cellulose acetate (CA) coatings cast in acetone, final stress increased from 10 to 45 MPa as coating thickness decreased from 60 to 10 mum. This thickness dependent coating stress for a solvent-cast polymer coating is a new finding and is attributed to (1) less shrinkage in thicker coatings due to more trapped solvent (from skinning) and (2) greater amounts of polymer stress relaxation in thicker coatings. For porous CA coatings prepared by dry-cast phase separation, final in-plane stresses ranged from 20 MPa for coatings containing small pores (˜1 mum) to 5 MPa for coatings containing small pores and macrovoids (˜200 mum). For these coatings, a small amount of stress relaxation occurs due to capillary pressure relief. A stress plateau for the macrovoid-containing coating is likely caused by stress-induced rupture of the polymer-rich phase. Measured stress in pigment-free latex coatings was much lower (˜0.3 MPa) than UV-curable and solvent-cast polymer coatings and was found to increase with increasing latex glass transition temperature. Observations from infrared spectroscopy, scanning electron microscopy, camera imaging, and indentation were also studied to correlate coating properties to measured stresses. The results obtained in this thesis will lead to strategies for material selection, process optimization, and defect elimination in polymeric coatings.

Developing a Learning Algorithm-Generated Empirical Relaxer

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

Mitchell, Wayne; Kallman, Josh; Toreja, Allen

2016-03-30

One of the main difficulties when running Arbitrary Lagrangian-Eulerian (ALE) simulations is determining how much to relax the mesh during the Eulerian step. This determination is currently made by the user on a simulation-by-simulation basis. We present a Learning Algorithm-Generated Empirical Relaxer (LAGER) which uses a regressive random forest algorithm to automate this decision process. We also demonstrate that LAGER successfully relaxes a variety of test problems, maintains simulation accuracy, and has the potential to significantly decrease both the person-hours and computational hours needed to run a successful ALE simulation.

Aging of ceramic carbonized hydroxyapatite at room temperature

NASA Astrophysics Data System (ADS)

Tkachenko, M. V.; Kamzin, A. S.

2016-08-01

The process of aging of ceramic carbonized hydroxyapatite (CHA) produced in a dry carbon dioxide atmosphere at temperatures of 800-1200°C has been studied by chemical and X-ray structural analysis, infrared spectroscopy, and scanning electron microscopy methods. The phase composition and structure of initial prepared ceramics samples and those aged for a year have been compared. It has been shown that relaxation of internal stresses occurring during pressed sample sintering causes plastic deformation of crystallites at room temperature, accompanied by redistribution of carbonate ions between A1, A2, B1, and B2 sites and CHA decomposition with the formation of CaO separations.

Predictable self-assembled [2×2] Ln(III)4 square grids (Ln = Dy,Tb)-SMM behaviour in a new lanthanide cluster motif.

PubMed

Anwar, Muhammad Usman; Thompson, Laurence Kenneth; Dawe, Louise Nicole; Habib, Fatemah; Murugesu, Muralee

2012-05-14

The ditopic carbohydrazone ligand (L1) produces the square, self-assembled [2×2] grids [Dy(4)(L1)(4)(OH)(4)]Cl(2) (1) and [Ln(4)(L1)(4)(μ(4)-O)(μ(2)-1,1-N(3))(4)] (Ln = Dy (2), Tb (3)), with 2 exhibiting SMM behaviour. Two relaxation processes occur with U(eff) = 51 K, 91 K in the absence of an external field, and one with U(eff) = 270 K in the presence of a 1600 Oe optimum field. This journal is © The Royal Society of Chemistry 2012

Gauge invariance of phenomenological models of the interaction of quantum dissipative systems with electromagnetic fields

NASA Astrophysics Data System (ADS)

Tokman, M. D.

2009-05-01

We discuss specific features of the electrodynamic characteristics of quantum systems within the framework of models that include a phenomenological description of the relaxation processes. As is shown by W. E. Lamb, Jr., R. R. Schlicher, and M. O. Scully [Phys. Rev. A 36, 2763 (1987)], the use of phenomenological relaxation operators, which adequately describe the attenuation of eigenvibrations of a quantum system, may lead to incorrect solutions in the presence of external electromagnetic fields determined by the vector potential for different resonance processes. This incorrectness can be eliminated by giving a gauge-invariant form to the relaxation operator. Lamb, Jr., proposed the corresponding gauge-invariant modification for the Weisskopf-Wigner relaxation operator, which is introduced directly into the Schrödinger equation within the framework of the two-level approximation. In the present paper, this problem is studied for the von Neumann equation supplemented by a relaxation operator. First, we show that the solution of the equation for the density matrix with the relaxation operator correctly obtained “from the first principles” has properties that ensure gauge invariance for the observables. Second, we propose a common recipe for transformation of the phenomenological relaxation operator into the correct (gauge-invariant) form in the density-matrix equations for a multilevel system. Also, we discuss the methods of elimination of other inaccuracies (not related to the gauge-invariance problem) which arise if the electrodynamic response of a dissipative quantum system is calculated within the framework of simplified relaxation models (first of all, the model corresponding to constant relaxation rates of coherences in quantum transitions). Examples illustrating the correctness of the results obtained within the framework of the proposed methods in contrast to inaccuracy of the results of the standard calculation techniques are given.

Magnetic Resonance T1 Relaxation Time of Venous Thrombus Is Determined by Iron Processing and Predicts Susceptibility to Lysis

PubMed Central

Modarai, Bijan; Blume, Ulrike; Humphries, Julia; Patel, Ashish S.; Phinikaridou, Alkystis; Evans, Colin E.; Mattock, Katherine; Grover, Steven P.; Ahmad, Anwar; Lyons, Oliver T.; Attia, Rizwan Q.; Renné, Thomas; Premaratne, Sobath; Wiethoff, Andrea J.; Botnar, René M.; Schaeffter, Tobias; Waltham, Matthew; Smith, Alberto

2014-01-01

Background The magnetic resonance longitudinal relaxation time (T1) changes with thrombus age in humans. In this study, we investigate the possible mechanisms that give rise to the T1 signal in venous thrombi and whether changes in T1 relaxation time are informative of the susceptibility to lysis. Methods and Results Venous thrombosis was induced in the vena cava of BALB/C mice, and temporal changes in T1 relaxation time correlated with thrombus composition. The mean T1 relaxation time of thrombus was shortest at 7days following thrombus induction and returned to that of blood as the thrombus resolved. T1 relaxation time was related to thrombus methemoglobin formation and further processing. Studies in inducible nitric oxide synthase (iNOS−/−)–deficient mice revealed that inducible nitric oxide synthase mediates oxidation of erythrocyte lysis–derived iron to paramagnetic Fe3+, which causes thrombus T1 relaxation time shortening. Studies using chemokine receptor-2–deficient mice (Ccr2−/−) revealed that the return of the T1 signal to that of blood is regulated by removal of Fe3+ by macrophages that accumulate in the thrombus during its resolution. Quantification of T1 relaxation time was a good predictor of successful thrombolysis with a cutoff point of <747 ms having a sensitivity and specificity to predict successful lysis of 83% and 94%, respectively. Conclusions The source of the T1 signal in the thrombus results from the oxidation of iron (released from the lysis of trapped erythrocytes in the thrombus) to its paramagnetic Fe3+ form. Quantification of T1 relaxation time appears to be a good predictor of the success of thrombolysis. PMID:23820077

Nitroglycerin overdose

MedlinePlus

Nitroglycerin is a medicine that helps relax the blood vessels leading to the heart. It is used to prevent and treat chest pain ( angina ). Nitroglycerin overdose occurs when someone takes more than the ...

Poroelastic Response to the 2012 Costa Rica Earthquake and the Effects on Geodetic Surface Deformation and Groundwater Fluxes

NASA Astrophysics Data System (ADS)

McCormack, K. A.; Hesse, M.

2016-12-01

Remote sensing and geodetic measurements are providing a new wealth of spatially distributed, time-series data that have the ability to improve our understanding of co-seismic rupture and post-seismic processes in subduction zones. Following a large earthquake, large-scale deformation is influenced by a myriad of post-seismic processes occurring on different spatial and temporal scales. These include continued slip on the fault plane (after-slip), a poroelastic response due to the movement of over-pressurized groundwater and viscoelastic relaxation of the underlying mantle. Often, the only means of observing these phenomena are through surface deformation measurements - either GPS or InSAR. Such tools measure the combined result of all these processes, which makes studying the effects of any single process difficult. For the 2012 Mw 7.6 Costa Rica Earthquake, we formulate a Bayesian inverse problem to infer the slip distribution on the plate interface using an elastic finite element model and GPS surface deformation measurements. From this study we identify a horseshoe-shaped rupture area surrounding a locked patch that is likely to release stress in the future. The results of our inversion are then used as an initial condition in a coupled poroelastic forward model to investigate the role of poroelastic effects on post-seismic deformation and stress transfer. We model the co-seismic pore pressure change as well as the pressure evolution and resulting deformation in the months after the earthquake. The surface permeability field is constrained by pump-test data from 526 groundwater wells throughout the study area. The results of the forward model indicate that earthquake-induced pore pressure changes dissipate quickly in most areas near the surface, resulting in relaxation of the surface in the seven to twenty days following the earthquake. Near the subducting slab interface, pore pressure changes can be an order of magnitude larger and may persist for many months after the earthquake. Dissipation of earthquake-induced pore pressure in deeper, low permeability areas manifests as surface deformation over a much longer timescale - on the order of months - which may influence the interpretation of longer timescale post-seismic deformation as purely viscoelastic relaxation.

Hydrodynamics of the Dirac spectrum

DOE PAGES

Liu, Yizhuang; Warchoł, Piotr; Zahed, Ismail

2015-12-15

We discuss a hydrodynamical description of the eigenvalues of the Dirac spectrum in even dimensions in the vacuum and in the large N (volume) limit. The linearized hydrodynamics supports sound waves. The hydrodynamical relaxation of the eigenvalues is captured by a hydrodynamical (tunneling) minimum configuration which follows from a pertinent form of Euler equation. As a result, the relaxation from a phase of unbroken chiral symmetry to a phase of broken chiral symmetry occurs over a time set by the speed of sound.

Increasing the effective energy barrier promoted by the change of a counteranion in a Zn-Dy-Zn SMM: slow relaxation via the second excited state.

PubMed

Oyarzabal, I; Ruiz, J; Ruiz, E; Aravena, D; Seco, J M; Colacio, E

2015-08-11

The trinuclear complex [ZnCl(μ-L)Dy(μ-L)ClZn]PF6 exhibits a single-molecule magnetic behaviour under zero field with a relatively large effective energy barrier of 186 cm(-1). Ab initio calculations reveal that the relaxation of the magnetization is symmetry-driven (the Dy(III) ion possesses a C2 symmetry) and occurs via the second excited state.

Changes in base composition bias of nuclear and mitochondrial genes in lice (Insecta: Psocodea).

PubMed

Yoshizawa, Kazunori; Johnson, Kevin P

2013-12-01

While it is well known that changes in the general processes of molecular evolution have occurred on a variety of timescales, the mechanisms underlying these changes are less well understood. Parasitic lice ("Phthiraptera") and their close relatives (infraorder Nanopsocetae of the insect order Psocodea) are a group of insects well known for their unusual features of molecular evolution. We examined changes in base composition across parasitic lice and bark lice. We identified substantial differences in percent GC content between the clade comprising parasitic lice plus closely related bark lice (=Nanopsocetae) versus all other bark lice. These changes occurred for both nuclear and mitochondrial protein coding and ribosomal RNA genes, often in the same direction. To evaluate whether correlations in base composition change also occurred within lineages, we used phylogenetically controlled comparisons, and in this case few significant correlations were identified. Examining more constrained sites (first/second codon positions and rRNA) revealed that, in comparison to the other bark lice, the GC content of parasitic lice and close relatives tended towards 50 % either up from less than 50 % GC or down from greater than 50 % GC. In contrast, less constrained sites (third codon positions) in both nuclear and mitochondrial genes showed less of a consistent change of base composition in parasitic lice and very close relatives. We conclude that relaxed selection on this group of insects is a potential explanation of the change in base composition for both mitochondrial and nuclear genes, which could lead to nucleotide frequencies closer to random expectation (i.e., 50 % GC) in the absence of any mutation bias. Evidence suggests this relaxed selection arose once in the non-parasitic common ancestor of Phthiraptera + Nanopsocetae and is not directly related to the evolution of the parasitism in lice.

Molecular dynamics and vibrational relaxations in liquid nitromethane.

NASA Astrophysics Data System (ADS)

Grazia Giorgini, Maria; Mariani, Leonardo; Morresi, Assunta; Paliani, Giulio; Cataliotti, Rosario Sergio

The vibrational relaxation processes of totally symmetric v1 (CH stretching and v5 (NO2 bending) motions of liquid nitromethane have been studied as a function of temperature and concentration in CD3NO2 and CCl4 solutions. The experimental vibrational correlation functions of these two modes have shown that relaxation is collision assisted and suitable for modelling with the stochastic Kubo-Rothschild theory.

Mechanisms of chiral discrimination by topoisomerase IV

PubMed Central

Neuman, K. C.; Charvin, G.; Bensimon, D.; Croquette, V.

2009-01-01

Topoisomerase IV (Topo IV), an essential ATP-dependent bacterial type II topoisomerase, transports one segment of DNA through a transient double-strand break in a second segment of DNA. In vivo, Topo IV unlinks catenated chromosomes before cell division and relaxes positive supercoils generated during DNA replication. In vitro, Topo IV relaxes positive supercoils at least 20-fold faster than negative supercoils. The mechanisms underlying this chiral discrimination by Topo IV and other type II topoisomerases remain speculative. We used magnetic tweezers to measure the relaxation rates of single and multiple DNA crossings by Topo IV. These measurements allowed us to determine unambiguously the relative importance of DNA crossing geometry and enzymatic processivity in chiral discrimination by Topo IV. Our results indicate that Topo IV binds and passes DNA strands juxtaposed in a nearly perpendicular orientation and that relaxation of negative supercoiled DNA is perfectly distributive. Together, these results suggest that chiral discrimination arises primarily from dramatic differences in the processivity of relaxing positive and negative supercoiled DNA: Topo IV is highly processive on positively supercoiled DNA, whereas it is perfectly distributive on negatively supercoiled DNA. These results provide fresh insight into topoisomerase mechanisms and lead to a model that reconciles contradictory aspects of previous findings while providing a framework to interpret future results. PMID:19359479

Dynamics of aqueous binary glass-formers confined in MCM-41.

PubMed

Elamin, Khalid; Jansson, Helén; Swenson, Jan

2015-05-21

Dielectric permittivity measurements were performed on water solutions of propylene glycol (PG) and propylene glycol monomethyl ether (PGME) confined in 21 Å pores of the silica matrix MCM-41 C10 in wide frequency (10(-2)-10(6) Hz) and temperature (130-250 K) ranges. The aim was to elucidate how the formation of large hydrogen bonded structural entities, found in bulk solutions of PGME, was affected by the confined geometry, and to make comparisons with the dynamic behavior of the PG-water system. For all solutions the measurements revealed four almost concentration independent relaxation processes. The intensity of the fastest process is low compared to the other relaxation processes and might be caused by both hydroxyl groups of the pore surfaces and by local motions of water and solute molecules. The second fastest process contains contributions from both the main water relaxation as well as the intrinsic β-relaxation of the solute molecules. The third fastest process is the viscosity related α-relaxation. Its concentration independency is very different compared to the findings for the corresponding bulk systems, particularly for the PGME-water system. The experimental data suggests that the surface interactions induce a micro-phase separation of the two liquids, resulting in a full molecular layer of water molecules coordinating to the hydrophilic hydroxyl groups on the surfaces of the silica pores. This, in turn, increases the geometrical confinement effect for the remaining solution even more and prevents the building up of the same type of larger structural entities in the PGME-water system as in the corresponding bulk solutions. The slowest process is mainly hidden in the high conductivity contribution at low frequencies, but its temperature dependence can be extracted for the PGME-water system. However, its origin is not fully clear, as will be discussed.

Analysis of afterslip and viscoelastic relaxation following the 2004 Sumatra-Andaman earthquake from GPS observations in northern Sumatra

NASA Astrophysics Data System (ADS)

Gunawan, E.; Sagiya, T.; Ito, T.; Kimata, F.; Tabei, T.; Ohta, Y.; Meilano, I.; Abidin, H. Z.; Agustan, A.; Nurdin, I.; Sugiyanto, D.

2013-12-01

Global Positioning System (GPS) data in northern Sumatra, Andaman Islands and Thailand provides an opportunity to understand the postseismic deformation associated with the 2004 Sumatra-Andaman earthquake. Previous study of postseismic deformation after the 2004 earthquake reached different conclusions, which attributed to different assumption on the postseismic deformation mechanisms. Also, previous studies use only a certain part (e.g. Andaman Islands only) of observations without investigating postseismic deformation data in northern Sumatra, which is close to the largest coseismic slip rupture of 2004 SAE. In this study, we tackle this problem by taking GPS data in northern Sumatra, Aceh GPS Network for Sumatran Fault System (AGNeSS), into account. AGNeSS data are important because of the following reasons: (1) The network is located in the near-field of the main slip patch of the 2004 SAE. (2) GPS measurements started a few months after the main shock, providing information of early postseismic deformation after the 2004 SAE. (3) Continuous GPS measurements provide a good control on both horizontal and vertical components. (4) GPS data have never been used in analyzing postseismic deformation. The continuous GPS data in northern Sumatra suggest that there are multiple physical mechanisms controls the postseismic deformation, that is afterslip and viscoelastic relaxation. In the first step, we search for the optimum rheology model by fitting vertical component with viscoelastic relaxation model, and consider residual is caused by an afterslip. Using the estimated rheology model, we calculate 'afterslip' displacements by subtracting predicted viscoelastic displacements from observed GPS data, and with these 'afterslip' displacements, we estimate afterslip distribution on the plate interface. Since in the first estimation of the rheology model analyzed displacement data contain afterslip effects, we then correct the afterslip contribution from the original deformation data and estimate the rheology model again. We iterate this calculation process until we obtain the optimum model. By using this strategy, we can calculate joint mechanisms of viscoelastic relaxation and afterslip simultaneously. For viscoelastic relaxation, our best solution yields a rheological structure with elastic layer depth of 65×5 km and a Maxwell viscosity of 8.0×1 x 1e18 Pa s, respectively. The afterslip inversion results shows that major afterslip occurred during two years after the 2004 Sumatra-Andaman earthquake where the maximum slip was approximately 0.9 m occurred between 20 to 40 km depth. Our afterslip patch result showed that it is consistent with the idea of afterslip is driven by the stress change due to the mainshock. We also find that the dominance of viscoelastic relaxation significantly increased, as the afterslip continuously decreased during the four years time periods between 2005.91~2009.87. Finally, our results suggest that our model satisfied observation data in northern Sumatra, however, it poorly fit GPS data in Thailand, respectively.

Short Pulse UV-Visible Waveguide Laser.

DTIC Science & Technology

1980-07-01

27 B. Relaxation Processes ...... ................... ... 30 C. Equivalent Circuit ...... .................... ... 33 II V. KINETIC MODELING...101 2 2-() 0 10 20 30 40 TIME (nsec) Fig. 6 Temporal evolution of the current, various N +densities, and the electron density as revealed by the...processes consisting of dissociative 30 * TABLE 1 RELAXATION REACTION RATES USED IN THE He-N MODEL 2 Reaction Rate. Reference Helium Metastable Reactions 1

Depolarization current relaxation process of insulating dielectrics after corona poling under different charging conditions

NASA Astrophysics Data System (ADS)

Zhang, J. W.; Zhou, T. C.; Wang, J. X.; Yang, X. F.; Zhu, F.; Tian, L. M.; Liu, R. T.

2017-10-01

As an insulating dielectric, polyimide is favorable for the application of optoelectronics, electrical insulation system in electric power industry, insulating, and packaging materials in space aircraft, due to its excellent thermal, mechanical and electrical insulating stability. The charge storage profile of such insulating dielectric is utmost important to its application, when it is exposed to electron irradiation, high voltage corona discharge or other treatments. These treatments could induce changes in physical and chemical properties of treated samples. To investigate the charge storage mechanism of the insulating dielectrics after high-voltage corona discharge, the relaxation processes responsible for corona charged polyimide films under different poling conditions were analyzed by the Thermally Stimulated Discharge Currents method (TSDC). In the results of thermal relaxation process, the appearance of various peaks in TSDC spectra provided a deep insight into the molecular status in the dielectric material and reflected stored space charge relaxation process in the insulating polymers after corona discharge treatments. Furthermore, the different space charge distribution status under various poling temperature and different discharge voltage level were also investigated, which could partly reflect the influence of the ambiance condition on the functional dielectrics after corona poling.

Non-rigid ultrasound image registration using generalized relaxation labeling process

NASA Astrophysics Data System (ADS)

Lee, Jong-Ha; Seong, Yeong Kyeong; Park, MoonHo; Woo, Kyoung-Gu; Ku, Jeonghun; Park, Hee-Jun

2013-03-01

This research proposes a novel non-rigid registration method for ultrasound images. The most predominant anatomical features in medical images are tissue boundaries, which appear as edges. In ultrasound images, however, other features can be identified as well due to the specular reflections that appear as bright lines superimposed on the ideal edge location. In this work, an image's local phase information (via the frequency domain) is used to find the ideal edge location. The generalized relaxation labeling process is then formulated to align the feature points extracted from the ideal edge location. In this work, the original relaxation labeling method was generalized by taking n compatibility coefficient values to improve non-rigid registration performance. This contextual information combined with a relaxation labeling process is used to search for a correspondence. Then the transformation is calculated by the thin plate spline (TPS) model. These two processes are iterated until the optimal correspondence and transformation are found. We have tested our proposed method and the state-of-the-art algorithms with synthetic data and bladder ultrasound images of in vivo human subjects. Experiments show that the proposed method improves registration performance significantly, as compared to other state-of-the-art non-rigid registration algorithms.

High-resolution simulations of unstable cylindrical gravity currents undergoing wandering and splitting motions in a rotating system

NASA Astrophysics Data System (ADS)

Dai, Albert; Wu, Ching-Sen

2018-02-01

High-resolution simulations of unstable cylindrical gravity currents when wandering and splitting motions occur in a rotating system are reported. In this study, our attention is focused on the situation of unstable rotating cylindrical gravity currents when the ratio of Coriolis to inertia forces is larger, namely, 0.5 ≤ C ≤ 2.0, in comparison to the stable ones when C ≤ 0.3 as investigated previously by the authors. The simulations reproduce the major features of the unstable rotating cylindrical gravity currents observed in the laboratory, i.e., vortex-wandering or vortex-splitting following the contraction-relaxation motion, and good agreement is found when compared with the experimental results on the outrush radius of the advancing front and on the number of bulges. Furthermore, the simulations provide energy budget information which could not be attained in the laboratory. After the heavy fluid is released, the heavy fluid collapses and a contraction-relaxation motion is at work for approximately 2-3 revolutions of the system. During the contraction-relaxation motion of the heavy fluid, the unstable rotating cylindrical gravity currents behave similar to the stable ones. Towards the end of the contraction-relaxation motion, the dissipation rate in the system reaches a local minimum and a quasi-geostrophic equilibrium state is reached. After the quasi-geostrophic equilibrium state, vortex-wandering or vortex-splitting may occur depending on the ratio of Coriolis to inertia forces. The vortex-splitting process begins with non-axisymmetric bulges and, as the bulges grow, the kinetic energy increases at the expense of decreasing potential energy in the system. The completion of vortex-splitting is accompanied by a local maximum of dissipation rate and a local maximum of kinetic energy in the system. A striking feature of the unstable rotating cylindrical gravity currents is the persistent upwelling and downwelling motions, which are observed for both the vortex-wandering and vortex-splitting motions and were not previously documented for such flows. Depending on the Reynolds number, the bulges around the circumference of the unstable rotating cylindrical gravity currents may or may not develop into cutoff distinct circulations. The number of bulges is seen to be dependent on the ratio of Coriolis to inertia forces but independent of the Reynolds number for the range of Reynolds number considered in this study.

Theoretical studies of solar-pumped lasers

NASA Technical Reports Server (NTRS)

Harries, W. L.

1983-01-01

Metallic vapor lasers of Na2 and Li2 are examined as solar energy converters. The absorbed photons cause transitions to vibrational-rotational levels in an upper electronic state. With broad band absorption the resultant levels can have quantum numbers considerably higher than the upper lasing level. The excited molecule then relaxes to the upper lasing level which is one of the lower vibrational levels in the upper electronic state. The relaxation occurs from collisions, provided the molecule is not quenched into the ground level electronic state. Lasing occurs with a transition to a vibrational level in the lower electronic state. Rough estimates of solar power efficiencies are 1 percent for Na2 and probably a similar figure for Li2. The nondissociative lasers from a family distinct from materials which dissociate to yield an excited atom.

Kv7 Channel Activation Underpins EPAC-Dependent Relaxations of Rat Arteries.

PubMed

Stott, Jennifer B; Barrese, Vincenzo; Greenwood, Iain A

2016-12-01

To establish the role of Kv7 channels in EPAC (exchange protein directly activated by cAMP)-dependent relaxations of the rat vasculature and to investigate whether this contributes to β-adrenoceptor-mediated vasorelaxations. Isolated rat renal and mesenteric arteries (RA and MA, respectively) were used for isometric tension recording to study the relaxant effects of a specific EPAC activator and the β-adrenoceptor agonist isoproterenol in the presence of potassium channel inhibitors and cell signaling modulators. Isolated myocytes were used in proximity ligation assay studies to detect localization of signaling intermediaries with Kv7.4 before and after cell stimulation. Our studies showed that the EPAC activator (8-pCPT-2Me-cAMP-AM) produced relaxations and enhanced currents of MA and RA that were sensitive to linopirdine (Kv7 inhibitor). Linopirdine also inhibited isoproterenol-mediated relaxations in both RA and MA. In the MA, isoproterenol relaxations were sensitive to EPAC inhibition, but not protein kinase A inhibition. In contrast, isoproterenol relaxations in RA were attenuated by protein kinase A but not by EPAC inhibition. Proximity ligation assay showed a localization of Kv7.4 with A-kinase anchoring protein in both vessels in the basal state, which increased only in the RA with isoproterenol stimulation. In the MA, but not the RA, a localization of Kv7.4 with both Rap1a and Rap2 (downstream of EPAC) increased with isoproterenol stimulation. EPAC-dependent vasorelaxations occur in part via activation of Kv7 channels. This contributes to the isoproterenol-mediated relaxation in mesenteric, but not renal, arteries. © 2016 American Heart Association, Inc.

The effect of deep and slow breathing on pain perception, autonomic activity, and mood processing--an experimental study.

PubMed

Busch, Volker; Magerl, Walter; Kern, Uwe; Haas, Joachim; Hajak, Göran; Eichhammer, Peter

2012-02-01

Deep and slow breathing (DSB) techniques, as a component of various relaxation techniques, have been reported as complementary approaches in the treatment of chronic pain syndromes, but the relevance of relaxation for alleviating pain during a breathing intervention was not evaluated so far. In order to disentangle the effects of relaxation and respiration, we investigated two different DSB techniques at the same respiration rates and depths on pain perception, autonomic activity, and mood in 16 healthy subjects. In the attentive DSB intervention, subjects were asked to breathe guided by a respiratory feedback task requiring a high degree of concentration and constant attention. In the relaxing DSB intervention, the subjects relaxed during the breathing training. The skin conductance levels, indicating sympathetic tone, were measured during the breathing maneuvers. Thermal detection and pain thresholds for cold and hot stimuli and profile of mood states were examined before and after the breathing sessions. The mean detection and pain thresholds showed a significant increase resulting from the relaxing DSB, whereas no significant changes of these thresholds were found associated with the attentive DSB. The mean skin conductance levels indicating sympathetic activity decreased significantly during the relaxing DSB intervention but not during the attentive DSB. Both breathing interventions showed similar reductions in negative feelings (tension, anger, and depression). Our results suggest that the way of breathing decisively influences autonomic and pain processing, thereby identifying DSB in concert with relaxation as the essential feature in the modulation of sympathetic arousal and pain perception. Wiley Periodicals, Inc.

Li + transport in poly(ethylene oxide) based electrolyte: A combined study of neutron scattering, dielectric spectroscopy, and MD simulation

NASA Astrophysics Data System (ADS)

Do, Changwoo; Lunkenheimer, Peter; Diddens, Diddo; Götz, Marion; Weiß, Matthias; Loidl, Alois; Sun, Xiao-Guang; Allgaier, Jürgen; Ohl, Michael

2013-03-01

Dynamics of Li + transport in polyethylene oxide (PEO) and lithium bis(trifluoromethanesulfonyl)imde (LiTFSI) mixtures are investigated by combining various experimental techniques (neutron spin-echo and dielectric spectroscopy) with molecular dynamics (MD) simulations. Our results suggest that the characteristic live times within the cages formed by oxygens are mainly determined by the alpha-relaxation which corresponds to local segmental motions of polymers, to a much lesser extent by the main chain relaxation, and not at all by the beta-relaxation or any other faster processes. The significant contribution of Li + hopping process to the ion conductivity is also identified. Subsequently, detailed characteristic length and time scales of various Li + transport processes in solid polymer electrolytes are presented and interpreted.

Relaxation channels of multi-photon excited xenon clusters

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

Serdobintsev, P. Yu.; Melnikov, A. S.; Department of Physics, St. Petersburg State University, Saint Petersburg 198904

2015-09-21

The relaxation processes of the xenon clusters subjected to multi-photon excitation by laser radiation with quantum energies significantly lower than the thresholds of excitation of atoms and ionization of clusters were studied. Results obtained by means of the photoelectron spectroscopy method showed that desorption processes of excited atoms play a significant role in the decay of two-photon excited xenon clusters. A number of excited states of xenon atoms formed during this process were discovered and identified.

Adsorption-desorption kinetics of soft particles onto surfaces

NASA Astrophysics Data System (ADS)

Osberg, Brendan; Gerland, Ulrich

A broad range of physical, chemical, and biological systems feature processes in which particles randomly adsorb on a substrate. Theoretical models usually assume ``hard'' (mutually impenetrable) particles, but in soft matter physics the adsorbing particles can be effectively compressible, implying ``soft'' interaction potentials. We recently studied the kinetics of such soft particles adsorbing onto one-dimensional substrates, identifying three novel phenomena: (i) a gradual density increase, or ''cramming'', replaces the usual jamming behavior of hard particles, (ii) a density overshoot, can occur (only for soft particles) on a time scale set by the desorption rate, and (iii) relaxation rates of soft particles increase with particle size (on a lattice), while hard particles show the opposite trend. The latter occurs since unjamming requires desorption and many-bodied reorganization to equilibrate -a process that is generally very slow. Here we extend this analysis to a two-dimensional substrate, focusing on the question of whether the adsorption-desorption kinetics of particles in two dimensions is similarly enriched by the introduction of soft interactions. Application to experiments, for example the adsorption of fibrinogen on two-dimensional surfaces, will be discussed.

The MHC big bang.

PubMed

Abi Rached, L; McDermott, M F; Pontarotti, P

1999-02-01

The human Major Histocompatibility Complex (MHC) shares similarities with three other chromosome regions in human. This could be the vestige of ancestral large scale duplications. We discuss here the possibility i) that these duplications occurred during two rounds of tetraploidization supposed to have taken place during chordate evolution before the jawed vertebrate radiation, and ii) that one of the quadruplicate regions, relaxed of functional constraints, gave rise to the vertebrate MHC by a quick round of gene cis-duplication and cis-exon shuffling. These different rounds of cis-duplications and exon shufflings allowed the emergence of new genes participating in novel biological functions i.e. adaptive immune responses. Cis-duplications and cis-exon shufflings are ongoing processes in the evolution of some of these genes in this region as they have occurred and were fixed at different times and in different lineages during vertebrate evolution. In contrast, other genes within the MHC have remained stable since the emergence of jawed vertebrates.

Relaxation of energetic S(1D) atoms in Xe gas: comparison of ab initio calculations with experimental data.

PubMed

Bovino, S; Zhang, P; Kharchenko, V; Dalgarno, A

2011-07-14

In this paper, we report our investigation of the translational energy relaxation of fast S((1)D) atoms in a Xe thermal bath. The interaction potential of Xe-S was constructed using ab initio methods. Total and differential cross sections were then calculated. The latter have been incorporated into the construction of the kernel of the Boltzmann equation describing the energy relaxation process. The solution of the Boltzmann equation was obtained and results were compared with those reported in experiments [G. Nan, and P. L. Houston, J. Chem. Phys. 97, 7865 (1992)]. Good agreement with the measured time-dependent relative velocity of fast S((1)D) atoms was obtained except at long relaxation times. The discrepancy may be due to the error accumulation caused by the use of hard sphere approximation and the Monte Carlo analysis of the experimental data. Our accurate description of the energy relaxation process led to an increase in the number of collisions required to achieve equilibrium by an order of magnitude compared to the number given by the hard-sphere approximation.

Dielectric behavior and AC conductivity of Cr doped α-Mn2O3

NASA Astrophysics Data System (ADS)

Chandra, Mohit; Yadav, Satish; Singh, K.

2018-05-01

The complex dielectric behavior of polycrystalline α-Mn2-xCrxO3 (x = 0.10) has been investigated isothermally at wide frequency range (4Hz-1 MHz) at different temperatures (300-390K). The dielectric spectroscopy results have been discussed in different formulism like dielectric constant, impedance and ac conductivity. The frequency dependent dielectric loss (tanδ) exhibit a clear relaxation behavior in the studied temperature range. The relaxation frequency increases with increasing temperature. These results are fitted using Arrhenius equation which suggest thermally activated process and the activation energy is 0.173±0.0024 eV. The normalized tanδ curves at different temperatures merge as a single master curve which indicate that the relaxation process follow the similar relaxation dynamics in the studied temperature range. Further, the dielectric relaxation follows non-Debye behavior. The impedance results inference that the grain boundary contribution dominate at lower frequency whereas grain contribution appeared at higher frequencies and exhibit strong temperature dependence. The ac conductivity data shows that the ac conductivity increases with increasing temperature which corroborate the semiconducting nature of the studied sample.

Rotational dynamics of trehalose in aqueous solutions studied by depolarized light scattering

NASA Astrophysics Data System (ADS)

Gallina, M. E.; Comez, L.; Morresi, A.; Paolantoni, M.; Perticaroli, S.; Sassi, P.; Fioretto, D.

2010-06-01

High resolution depolarized light scattering spectra, extended from 0.5 to 2×104 GHz by the combined used of a dispersive and an interferometric setup, give evidence of separated solute and solvent dynamics in diluted trehalose aqueous solutions. The slow relaxation process, located in the gigahertz frequency region, is analyzed as a function of temperature and concentration and assigned to the rotational diffusion of the sugar molecule. The results are discussed in comparison with the data obtained on glucose solutions and they are used to clarify the molecular origin of some among the several relaxation processes reported in literature for oligosaccharides solutions. The concentration dependence of relaxation time and of shear viscosity are also discussed, suggesting that the main effect of carbohydrate molecules on the structural relaxation of diluted aqueous solutions is the perturbation induced on the dynamics of the first hydration shell of each solute molecule.

Interfacial elastic relaxation during the ejection of bi-layered tablets.

PubMed

Anuar, M S; Briscoe, B J

2010-03-15

The predilection of a bi-layered tablet to fail in the interface region after its initial formation in the compaction process reduces its practicality as a choice for controlled release solid drug delivery system. Hence, a fundamental appreciation of the governing mechanism that causes the weakening of the interfacial bonds within the bi-layered tablet is crucial in order to improve the overall bi-layered tablet mechanical integrity. This work has shown that the occurrence of the elastic relaxation in the interface region during the ejection stage of the compaction process decreases with the increase in the bi-layered tablet interface strength. This is believed to be due to the increase in the plastic bonding in the interface region. The tablet diametrical elastic relaxation affects the tablet height elastic relaxation, where the impediment of the tablet height expansion is observed when the interface region experiences a diametrical expansion. 2009 Elsevier B.V. All rights reserved.

Shear-transformation-zone theory of linear glassy dynamics.

PubMed

Bouchbinder, Eran; Langer, J S

2011-06-01

We present a linearized shear-transformation-zone (STZ) theory of glassy dynamics in which the internal STZ transition rates are characterized by a broad distribution of activation barriers. For slowly aging or fully aged systems, the main features of the barrier-height distribution are determined by the effective temperature and other near-equilibrium properties of the configurational degrees of freedom. Our theory accounts for the wide range of relaxation rates observed in both metallic glasses and soft glassy materials such as colloidal suspensions. We find that the frequency-dependent loss modulus is not just a superposition of Maxwell modes. Rather, it exhibits an α peak that rises near the viscous relaxation rate and, for nearly jammed, glassy systems, extends to much higher frequencies in accord with experimental observations. We also use this theory to compute strain recovery following a period of large, persistent deformation and then abrupt unloading. We find that strain recovery is determined in part by the initial barrier-height distribution, but that true structural aging also occurs during this process and determines the system's response to subsequent perturbations. In particular, we find by comparison with experimental data that the initial deformation produces a highly disordered state with a large population of low activation barriers, and that this state relaxes quickly toward one in which the distribution is dominated by the high barriers predicted by the near-equilibrium analysis. The nonequilibrium dynamics of the barrier-height distribution is the most important of the issues raised and left unresolved in this paper.

Microseismic monitoring of columnar jointed basalt fracture activity: a trial at the Baihetan Hydropower Station, China

NASA Astrophysics Data System (ADS)

Chen, Bing-Rui; Li, Qing-Peng; Feng, Xia-Ting; Xiao, Ya-Xun; Feng, Guang-Liang; Hu, Lian-Xing

2014-10-01

Severe stress release has occurred to the surrounding rocks of the typically columnar jointed basalt after excavation at the Baihetan Hydropower Station, Jinsha River, China, where cracking, collapse, and other types of failure may take place occasionally due to relaxation fracture. In order to understand the relaxation fracture characteristics of the columnar jointed basalt in the entire excavation process at the diversion tunnel of the Baihetan Hydropower Station, real-time microseismic monitoring tests were performed. First, the applicability of a geophone and accelerometer was analyzed in the columnar jointed basalt tunnel, and the results show that the accelerometer was more applicable to the cracking monitoring of the columnar jointed basalt. Next, the waveform characteristics of the microseismic signals were analyzed, and the microseismic signals were identified as follows: rock fracture signal, drilling signal, electrical signal, heavy vehicle passing signal, and blast signal. Then, the attenuation characteristics of the microseismic signals in the columnar jointed basalt tunnel were studied, as well as the types and characteristics of the columnar jointed basalt fracture. Finally, location analysis was conducted on the strong rock fracture events, in which four or more sensors were triggered, to obtain the temporal and spatial evolution characteristics and laws of the columnar jointed basalt relaxation fracture after excavation. The test results are not only of important reference value to the excavation and support of diversion tunnel at the Baihetan Hydropower Station, but also of great referential significance and value to the conduction of similar tests.

Theory of nonlinear elasticity, stress-induced relaxation, and dynamic yielding in dense fluids of hard nonspherical colloids

NASA Astrophysics Data System (ADS)

Zhang, Rui; Schweizer, Kenneth S.

2012-04-01

We generalize the microscopic naïve mode coupling and nonlinear Langevin equation theories of the coupled translation-rotation dynamics of dense suspensions of uniaxial colloids to treat the effect of applied stress on shear elasticity, cooperative cage escape, structural relaxation, and dynamic and static yielding. The key concept is a stress-dependent dynamic free energy surface that quantifies the center-of-mass force and torque on a moving colloid. The consequences of variable particle aspect ratio and volume fraction, and the role of plastic versus double glasses, are established in the context of dense, glass-forming suspensions of hard-core dicolloids. For low aspect ratios, the theory provides a microscopic basis for the recently observed phenomenon of double yielding as a consequence of stress-driven sequential unlocking of caging constraints via reduction of the distinct entropic barriers associated with the rotational and translational degrees of freedom. The existence, and breadth in volume fraction, of the double yielding phenomena is predicted to generally depend on both the degree of particle anisotropy and experimental probing frequency, and as a consequence typically occurs only over a window of (high) volume fractions where there is strong decoupling of rotational and translational activated relaxation. At high enough concentrations, a return to single yielding is predicted. For large aspect ratio dicolloids, rotation and translation are always strongly coupled in the activated barrier hopping event, and hence for all stresses only a single yielding process is predicted.

Dynamic measurements and simulations of airborne picolitre-droplet coalescence in holographic optical tweezers

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

Bzdek, Bryan R.; Reid, Jonathan P., E-mail: j.p.reid@bristol.ac.uk; Collard, Liam

We report studies of the coalescence of pairs of picolitre aerosol droplets manipulated with holographic optical tweezers, probing the shape relaxation dynamics following coalescence by simultaneously monitoring the intensity of elastic backscattered light (EBL) from the trapping laser beam (time resolution on the order of 100 ns) while recording high frame rate camera images (time resolution <10 μs). The goals of this work are to: resolve the dynamics of droplet coalescence in holographic optical traps; assign the origin of key features in the time-dependent EBL intensity; and validate the use of the EBL alone to precisely determine droplet surface tensionmore » and viscosity. For low viscosity droplets, two sequential processes are evident: binary coalescence first results from the overlap of the optical traps on the time scale of microseconds followed by the recapture of the composite droplet in an optical trap on the time scale of milliseconds. As droplet viscosity increases, the relaxation in droplet shape eventually occurs on the same time scale as recapture, resulting in a convoluted evolution of the EBL intensity that inhibits quantitative determination of the relaxation time scale. Droplet coalescence was simulated using a computational framework to validate both experimental approaches. The results indicate that time-dependent monitoring of droplet shape from the EBL intensity allows for robust determination of properties such as surface tension and viscosity. Finally, the potential of high frame rate imaging to examine the coalescence of dissimilar viscosity droplets is discussed.« less

Acetylcholine released by endothelial cells facilitates flow‐mediated dilatation

PubMed Central

Wilson, Calum; Lee, Matthew D.

2016-01-01

Key points The endothelium plays a pivotal role in the vascular response to chemical and mechanical stimuli.The endothelium is exquisitely sensitive to ACh, although the physiological significance of ACh‐induced activation of the endothelium is unknown.In the present study, we investigated the mechanisms of flow‐mediated endothelial calcium signalling.Our data establish that flow‐mediated endothelial calcium responses arise from the autocrine action of non‐neuronal ACh released by the endothelium. Abstract Circulating blood generates frictional forces (shear stress) on the walls of blood vessels. These frictional forces critically regulate vascular function. The endothelium senses these frictional forces and, in response, releases various vasodilators that relax smooth muscle cells in a process termed flow‐mediated dilatation. Although some elements of the signalling mechanisms have been identified, precisely how flow is sensed and transduced to cause the release of relaxing factors is poorly understood. By imaging signalling in large areas of the endothelium of intact arteries, we show that the endothelium responds to flow by releasing ACh. Once liberated, ACh acts to trigger calcium release from the internal store in endothelial cells, nitric oxide production and artery relaxation. Flow‐activated release of ACh from the endothelium is non‐vesicular and occurs via organic cation transporters. ACh is generated following mitochondrial production of acetylCoA. Thus, we show ACh is an autocrine signalling molecule released from endothelial cells, and identify a new role for the classical neurotransmitter in endothelial mechanotransduction. PMID:27730645

The potential of Virtual Reality as anxiety management tool: a randomized controlled study in a sample of patients affected by Generalized Anxiety Disorder

PubMed Central

Gorini, Alessandra; Riva, Giuseppe

2008-01-01

Background Generalized anxiety disorder (GAD) is a psychiatric disorder characterized by a constant and unspecific anxiety that interferes with daily-life activities. Its high prevalence in general population and the severe limitations it causes, point out the necessity to find new efficient strategies to treat it. Together with the cognitive-behavioural treatments, relaxation represents a useful approach for the treatment of GAD, but it has the limitation that it is hard to be learned. To overcome this limitation we propose the use of virtual reality (VR) to facilitate the relaxation process by visually presenting key relaxing images to the subjects. The visual presentation of a virtual calm scenario can facilitate patients' practice and mastery of relaxation, making the experience more vivid and real than the one that most subjects can create using their own imagination and memory, and triggering a broad empowerment process within the experience induced by a high sense of presence. According to these premises, the aim of the present study is to investigate the advantages of using a VR-based relaxation protocol in reducing anxiety in patients affected by GAD. Methods/Design The trial is based on a randomized controlled study, including three groups of 25 patients each (for a total of 75 patients): (1) the VR group, (2) the non-VR group and (3) the waiting list (WL) group. Patients in the VR group will be taught to relax using a VR relaxing environment and audio-visual mobile narratives; patients in the non-VR group will be taught to relax using the same relaxing narratives proposed to the VR group, but without the VR support, and patients in the WL group will not receive any kind of relaxation training. Psychometric and psychophysiological outcomes will serve as quantitative dependent variables, while subjective reports of participants will be used as qualitative dependent variables. Conclusion We argue that the use of VR for relaxation represents a promising approach in the treatment of GAD since it enhances the quality of the relaxing experience through the elicitation of the sense of presence. This controlled trial will be able to evaluate the effects of the use of VR in relaxation while preserving the benefits of randomization to reduce bias. Trial Registration NCT00602212 (ClinicalTrials.gov) PMID:18457580

β-adrenergic Receptor Blocker ICI 118,551 Selectively Increases Intermediate-Conductance Calcium-Activated Potassium Channel (IKCa )-Mediated Relaxations in Rat Main Mesenteric Artery.

PubMed

Ozkan, Melike Hacer; Uma, Serdar

2018-06-01

Endothelial IK C a and/or SK C a channels play an important role in the control of vascular tone by participating in endothelium-dependent relaxation. Whether β-AR antagonists, mainly used in hypertension, affect endothelial K C a channel function is unknown. In this study, we examined the effect of the β2-AR antagonist and inverse agonist ICI 118,551 on the IK C a /SK C a channel activity by assessing functional relaxation responses to several agonists that stimulate these channels. Mesenteric arterial rings isolated from male Sprague Dawley mounted to organ baths. Acetylcholine elicited IK C a - and SK C a -mediated relaxations that were abolished by TRAM-34 and apamin, respectively. ICI 118,551, which did not dilate the arteries per se, increased the IK C a -mediated relaxations, whereas SK C a -mediated relaxations remained unaltered. Same potentiating effect was also detected on the IK C a -mediated relaxations to carbachol and A23187, but not to NS309. Neither acetylcholine-induced nitric oxide-mediated relaxations nor SNP relaxations changed with ICI 118,551. The PKA inhibitor KT-5720, the selective β2-AR agonist salbutamol, the selective β2-AR antagonist butoxamine, the non-selective β-AR antagonist propranolol, and the inverse agonists carvedilol or nadolol failed to affect the IK C a -mediated relaxations. ICI 118,551-induced increase was not reversed by salbutamol or propranolol as well. Besides, low potassium-induced relaxations in endothelium-removed arteries remained the same in the presence of ICI 118,551. These data demonstrate a previously unrecognized action of ICI 118,551, the ability to potentiate endothelial IK C a channel-mediated vasodilation, through a mechanism independent of β2-AR antagonistic or inverse agonistic action. Instead, the enhancement of acetylcholine relaxation seems likely to occur by a mechanism secondary to endothelial calcium increase. © 2017 Nordic Association for the Publication of BCPT (former Nordic Pharmacological Society).

Structural Relaxation of Vit4Amorphous Alloy by the Enthalpy Relaxation

NASA Astrophysics Data System (ADS)

O'Reilly, James; Hammond, Vincent

2002-03-01

The structural relaxation of an amorphous alloy designated Vit4 has been investigated as a function of thermal history using differential scanning calorimetry. Results indicate that the width of the glass transition region is approximately 30 °C, which is broader than molecular or polymeric glasses but similar to inorganic glasses. The broad transition implies a large distribution of relaxation times, a low activation energy, or a combination of these effects. The Tool-Narayanaswamy model for structural relaxation has been used to analyze the change in fictive temperature that occurs for a series of cooling rates. The activation energy calculated from these data the is 187 kJ/mol, a value that is low compared to other glasses. Using optimization programs, the other relaxation parameters, the characteristic relaxation time, the non-linearity parameter, x, and the fractional exponent of distribution of relaxation times, b, were determined from the experimental specific heat curves. Although the parameters were in good agreement with values typical of other glassy materials, there appears to be less correlation between them than is observed in molecular and polymeric glasses. The results obtained in this study indicate that the structural relaxation of Vit 4 is similar to other glasses except for a low activation energy with high glass transition. This could be due to a low free volume or configurational entropy. The width of the glass transition could result from a large distribution of relaxation times or a low activation energy. The exponent of the distribution of relaxation times, b, is 0.45±0.1 and the non-linearity parameter, x =0.5±0.2. The structural relaxation of Vit 4 is dominated by a low activation energy which is related to the atomic jump motion of hard spheres. The DCp at Tg should be 11.7 J/mol. deg per bead according to Wunderlich’s rule. This means that the change in Cp at Tg in Vit4 can be accounted for by one bead although there are five metal components in the glass. More detailed comparisons with other glass formers will be presented.

Epoxy-based hydrogels investigated by high-frequency dielectric relaxation spectroscopy.

PubMed

Krakovský, Ivan; Shikata, Toshiyuki; Hasegawa, Ryuta

2013-11-14

Using high-frequency dielectric relaxation spectroscopy, nanophase-separated structures of epoxy-based hydrogels were investigated as a function of water content at 25 °C. The dielectric spectra resulting from the hydrogels were reasonably decomposed into two Debye-type and two Cole-Cole-type relaxation modes. The fastest Debye-type mode, found at 8.3 ps, was attributed to the rotational relaxation process of free water molecules in the bulk state. The other Debye-type mode, at ca. 20-34 ps, originates from the exchange process of water molecules that are hydrogen-bonded to the hydrophilic epoxy network portions for free bulk ones. The first Cole-Cole-type mode observed, at ca. 20-370 ps, was assigned to the complicated dynamics for electric dipole moments of the hydrophilic groups in the epoxy networks (mainly monomeric oxyethylene units). The slowest major Cole-Cole-type mode, at 5-29 ns, was attributed to the Maxwell-Wagner-Sillars polarization process and confirmed the presence of the nanophase-separated structures as revealed by the previous small-angle neutron scattering experiments.

Novel Small Airway Bronchodilator Responses to Rosiglitazone in Mouse Lung Slices

PubMed Central

Bai, Yan; Donovan, Chantal; Esposito, James G.; Tan, Xiahui; Sanderson, Michael J.

2014-01-01

There is a need to identify novel agents that elicit small airway relaxation when β2-adrenoceptor agonists become ineffective in difficult-to-treat asthma. Because chronic treatment with the synthetic peroxisome proliferator activated receptor (PPAR)γ agonist rosiglitazone (RGZ) inhibits airway hyperresponsiveness in mouse models of allergic airways disease, we tested the hypothesis that RGZ causes acute airway relaxation by measuring changes in small airway size in mouse lung slices. Whereas the β-adrenoceptor agonists albuterol (ALB) and isoproterenol induced partial airway relaxation, RGZ reversed submaximal and maximal contraction to methacholine (MCh) and was similarly effective after precontraction with serotonin or endothelin-1. Concentration-dependent relaxation to RGZ was not altered by the β-adrenoceptor antagonist propranolol and was enhanced by ALB. RGZ-induced relaxation was mimicked by other synthetic PPARγ agonists but not by the putative endogenous agonist 15-deoxy-PGJ2 and was not prevented by the PPARγ antagonist GW9662. To induce airway relaxation, RGZ inhibited the amplitude and frequency of MCh-induced Ca2+ oscillations of airway smooth muscle cells (ASMCs). In addition, RGZ reduced MCh-induced Ca2+ sensitivity of the ASMCs. Collectively, these findings demonstrate that acute bronchodilator responses induced by RGZ are PPARγ independent, additive with ALB, and occur by the inhibition of ASMC Ca2+ signaling and Ca2+ sensitivity. Because RGZ continues to elicit relaxation when β-adrenoceptor agonists have a limited effect, RGZ or related compounds may have potential as bronchodilators for the treatment of difficult asthma. PMID:24188042

Effects of calcium dobesilate on the synthesis of endothelium-dependent relaxing factors in rabbit isolated aorta

PubMed Central

Ruiz, E; Lorente, R; Tejerina, T

1997-01-01

Some cardiovascular disturbances which occur in diabetics are a consequence of alterations in vascular contractility as well as in endothelium-dependent relaxation. Calcium dobesilate (DOBE) is a drug used in diabetic retinopathy and its mechanism of action is not yet understood. The aim of this study was to investigate the effects of DOBE on synthesis and release of endothelium-dependent relaxing factor (EDRF) and endothelium-dependent hyperpolarizing factor (EDHF) in rabbit isolated aorta. Endothelium-dependent relaxation induced by acetylcholine (ACh) (10−8–10−5 M) increased in the presence of DOBE 10−5 M only when vascular endothelium was kept intact. NG-nitro-L-arginine methyl ester (L-NAME; 10−8–10−4 M progressively decreased the enhancing effect of DOBE on endothelium-dependent relaxation whereas it was progressively increased by L-Arg. DOBE 10−5 M increased in a non-significant manner endothelium-dependent relaxation induced by ACh when the arteries were incubated with both L-NAME 10−4 M and indomethacin 10−6 M. DOBE (10−6 M and 10−5 M) was able to scavenge superoxide anion radicals generated by the hypoxanthine/xanthine oxidase reaction. These results provide evidence that DOBE is able to affect the vascular disorders associated with diabetes mellitus since it enhances the synthesis of endothelium-dependent relaxing factors. PMID:9208138

Strain relaxation and ambipolar electrical transport in GaAs/InSb core-shell nanowires.

PubMed

Rieger, Torsten; Zellekens, Patrick; Demarina, Natalia; Hassan, Ali Al; Hackemüller, Franz Josef; Lüth, Hans; Pietsch, Ullrich; Schäpers, Thomas; Grützmacher, Detlev; Lepsa, Mihail Ion

2017-11-30

The growth, crystal structure, strain relaxation and room temperature transport characteristics of GaAs/InSb core-shell nanowires grown using molecular beam epitaxy are investigated. Due to the large lattice mismatch between GaAs and InSb of 14%, a transition from island-based to layer-like growth occurs during the formation of the shell. High resolution transmission electron microscopy in combination with geometric phase analyses as well as X-ray diffraction with synchrotron radiation are used to investigate the strain relaxation and prove the existence of different dislocations relaxing the strain on zinc blende and wurtzite core-shell nanowire segments. While on the wurtzite phase only Frank partial dislocations are found, the strain on the zinc blende phase is relaxed by dislocations with perfect, Shockley partial and Frank partial dislocations. Even for ultrathin shells of about 2 nm thickness, the strain caused by the high lattice mismatch between GaAs and InSb is relaxed almost completely. Transfer characteristics of the core-shell nanowires show an ambipolar conductance behavior whose strength strongly depends on the dimensions of the nanowires. The interpretation is given based on an electronic band profile which is calculated for completely relaxed core/shell structures. The peculiarities of the band alignment in this situation implies simultaneously occupied electron and hole channels in the InSb shell. The ambipolar behavior is then explained by the change of carrier concentration in both channels by the gate voltage.

Effect of water content on specific heat capacity of porcine septum cartilage

NASA Astrophysics Data System (ADS)

Chae, Yongseok; Lavernia, Enrique J.; Wong, Brian J.

2002-06-01

The effect of water content on specific heat capacity was examined using temperature modulated Differential Scanning Calorimetry (TMDSC). This research was motivated in part by the development laser cartilage reshaping operations, which use photothermal heating to accelerate stress relaxation and shape change. Deposition of thermal energy leads to mechanical stress relaxation and redistribution of cartilage internal stresses, which may lead to a permanent shape change. The specific heat of cartilage specimens (dia: 3 mm and thickness 1-2 mm) was measured using a heating rate of 2 degree(s)C/min for conventional DSC and 2 degree(s)C/min with an amplitude 0.38-0.45 degree(s)C and a period 60-100 sec for TMDSC. The amount of water in cartilaginous tissue was determined using thermogravimetry analysis (TGA) under ambient conditions. In order to correlate changes in heat flow with alterations in cartilage mechanical behavior, dynamic mechanical temperature analysis (DMTA) was used to estimate the specific transition temperatures where stress relaxation occurs. With decreasing water content, we identified a phase transition that shifted to a higher temperature after 35-45% water content was measured. The phase transition energy increased from 0.12 J/g to 1.68 J/g after a 45% weight loss. This study is a preliminary investigation focused on understanding the mechanism of the stress relaxation of cartilage during heating. The energy requirement of such a transition estimated using TMDSC and temperature range, where cartilage shape changes likely occur, was estimated.

Temperature dependent dielectric properties and ion transportation in solid polymer electrolyte for lithium ion batteries

NASA Astrophysics Data System (ADS)

Sengwa, R. J.; Dhatarwal, Priyanka; Choudhary, Shobhna

2016-05-01

Solid polymer electrolyte (SPE) film consisted of poly(ethylene oxide) (PEO) and poly(methyl methacrylate) (PMMA) blend matrix with lithium tetrafluroborate (LiBF4) as dopant ionic salt and poly(ethylene glycol) (PEG) as plasticizer has been prepared by solution casting method followed by melt pressing. Dielectric properties and ionic conductivity of the SPE film at different temperatures have been determined by dielectric relaxation spectroscopy. It has been observed that the dc ionic conductivity of the SPE film increases with increase of temperature and also the decrease of relaxation time. The temperature dependent relaxation time and ionic conductivity values of the electrolyte are governed by the Arrhenius relation. Correlation observed between dc conductivity and relaxation time confirms that ion transportation occurs with polymer chain segmental dynamics through hopping mechanism. The room temperature ionic conductivity is found to be 4 × 10-6 S cm-1 which suggests the suitability of the SPE film for rechargeable lithium batteries.

Temperature dependent dielectric properties and ion transportation in solid polymer electrolyte for lithium ion batteries

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

Sengwa, R. J., E-mail: rjsengwa@rediffmail.com; Dhatarwal, Priyanka, E-mail: dhatarwalpriyanka@gmail.com; Choudhary, Shobhna, E-mail: shobhnachoudhary@rediffmail.com

2016-05-06

Solid polymer electrolyte (SPE) film consisted of poly(ethylene oxide) (PEO) and poly(methyl methacrylate) (PMMA) blend matrix with lithium tetrafluroborate (LiBF{sub 4}) as dopant ionic salt and poly(ethylene glycol) (PEG) as plasticizer has been prepared by solution casting method followed by melt pressing. Dielectric properties and ionic conductivity of the SPE film at different temperatures have been determined by dielectric relaxation spectroscopy. It has been observed that the dc ionic conductivity of the SPE film increases with increase of temperature and also the decrease of relaxation time. The temperature dependent relaxation time and ionic conductivity values of the electrolyte are governedmore » by the Arrhenius relation. Correlation observed between dc conductivity and relaxation time confirms that ion transportation occurs with polymer chain segmental dynamics through hopping mechanism. The room temperature ionic conductivity is found to be 4 × 10{sup −6} S cm{sup −1} which suggests the suitability of the SPE film for rechargeable lithium batteries.« less

A unified inversion scheme to process multifrequency measurements of various dispersive electromagnetic properties

NASA Astrophysics Data System (ADS)

Han, Y.; Misra, S.

2018-04-01

Multi-frequency measurement of a dispersive electromagnetic (EM) property, such as electrical conductivity, dielectric permittivity, or magnetic permeability, is commonly analyzed for purposes of material characterization. Such an analysis requires inversion of the multi-frequency measurement based on a specific relaxation model, such as Cole-Cole model or Pelton's model. We develop a unified inversion scheme that can be coupled to various type of relaxation models to independently process multi-frequency measurement of varied EM properties for purposes of improved EM-based geomaterial characterization. The proposed inversion scheme is firstly tested in few synthetic cases in which different relaxation models are coupled into the inversion scheme and then applied to multi-frequency complex conductivity, complex resistivity, complex permittivity, and complex impedance measurements. The method estimates up to seven relaxation-model parameters exhibiting convergence and accuracy for random initializations of the relaxation-model parameters within up to 3-orders of magnitude variation around the true parameter values. The proposed inversion method implements a bounded Levenberg algorithm with tuning initial values of damping parameter and its iterative adjustment factor, which are fixed in all the cases shown in this paper and irrespective of the type of measured EM property and the type of relaxation model. Notably, jump-out step and jump-back-in step are implemented as automated methods in the inversion scheme to prevent the inversion from getting trapped around local minima and to honor physical bounds of model parameters. The proposed inversion scheme can be easily used to process various types of EM measurements without major changes to the inversion scheme.

Comparison of Younger and Older Adults' Acceptability of Treatment for Generalized Anxiety Disorder Co-Occurring with Parkinson's Disease

ERIC Educational Resources Information Center

Lundervold, Duane A.; Ament, Patrick A.; Holt, Peter S.; Hunt, Lauren S.

2013-01-01

Acceptability ratings of medication or Behavioral Relaxation Training (BRT), for general anxiety disorder (GAD) co-occurring with Parkinson's Disease (PD) were obtained from younger ("n" = 79) and older ("n" = 54) adults. Participants read a case description of an older adult with PD and comorbid GAD followed by a description…

Thermal fluctuations and elastic relaxation in the compressed exponential dynamics of colloidal gels

NASA Astrophysics Data System (ADS)

Bouzid, Mehdi; Colombo, Jader; Del Gado, Emanuela

Colloidal gels belong to the class of amorphous systems, they are disordered elastic solids that can form at very low volume fraction, via aggregation into a rich variety of networks. They exhibit a slow relaxation process in the aging regime similar to the glassy dynamics. A wide range of experiments on colloidal gels show unusual compressed exponential of the relaxation dynamical properties. We use molecular dynamics simulation to investigate how the dynamic change with the age of the system. Upon breaking and reorganization of the network structure, the system may display stretched or compressed exponential relaxation. We show that the transition between these two regimes is associated to the interplay between thermally activated rearrangements and the elastic relaxation of internal stresses. In particular, ballistic-like displacements emerge from the non local relaxation of internal stresses mediated by a series of ''micro-collapses''. When thermal fluctuations dominate, the gel restructuring involves instead more homogeneous displacements across the heterogeneous gel network, leading to a stretched exponential type of relaxation.

Anomaly diffuse and dielectric relaxation in strontium doped lanthanum molybdate

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

Liu, Xiao; Fan, Huiqing, E-mail: hqfan3@163.com; Shi, Jing

2011-12-15

Highlights: Black-Right-Pointing-Pointer The anomaly diffuse and dielectric relaxation behaviors are fitted by the Cole-Cole approach. Black-Right-Pointing-Pointer The peak in the LSMO is corresponding to different oxygen ion diffusion process. Black-Right-Pointing-Pointer We first give better explanation about the strange conductivity change caused by doping. Black-Right-Pointing-Pointer The oxygen ion diffusion is due to a combination of the dipolar relaxation and the motion of ions. -- Abstract: The dielectric properties of the La{sub 2-x}Sr{sub x}Mo{sub 2}O{sub 9-{delta}} (x = 0-0.2) ceramics were investigated in the temperature range of 300-800 K. Dielectric measurement reveals that two dielectric anomalies, associated with the oxygen ion diffusion,more » exist in frequency spectrum with x = 0.5. The broad dielectric peaks in tan {delta}({omega}) can be well fitted by a modified Cole-Cole approach. When x = 0.1, only one dielectric relaxation peak is observed, corresponding to different oxygen ion diffusion processes, as distinct from the only relaxation peak in the pure La{sub 2}Mo{sub 2}O{sub 9}. The relaxation parameters {tau}{sub 0}, the dielectric relaxation strength {Delta}, and the activation energy E{sub a} were obtained. The result of this work shows that, the conductivity change caused by doping between the two phases is due to the combination of the dipolar effects and motion of ions.« less

Conformational exchange in pseudoazurin: different kinds of microsecond to millisecond dynamics characterized by their pH and buffer dependence using 15N NMR relaxation.

PubMed

Hass, Mathias A S; Vlasie, Monica D; Ubbink, Marcellus; Led, Jens J

2009-01-13

The dynamics of the reduced form of the blue copper protein pseudoazurin from Alcaligenes faecalis S-6 was investigated using (15)N relaxation measurements with a focus on the dynamics of the micro- to millisecond time scale. Different types of conformational exchange processes are observed in the protein on this time scale. At low pH, the protonation of the C-terminal copper-ligated histidine, His81, is observed. A comparison of the exchange rates in the presence and absence of added buffers shows that the protonation is the rate-limiting step at low buffer concentrations. This finding agrees with previous observations for other blue copper proteins, e.g., amicyanin and plastocyanin. However, in contrast to plastocyanin but similar to amicyanin, a second conformational exchange between different conformations of the protonated copper site is observed at low pH, most likely triggered by the protonation of His81. This process has been further characterized using CPMG dispersion methods and is found to occur with a rate of a few thousands per second. Finally, micro- to millisecond motions are observed in one of the loop regions and in the alpha-helical regions. These motions are unaffected by pH and are unrelated to the conformational changes in the active site of pseudoazurin.

Blink and you’ll miss it: the role of blinking in the perception of magic tricks

PubMed Central

Nakano, Tamami

2016-01-01

Magicians use several techniques to deceive their audiences, including, for example, the misdirection of attention and verbal suggestion. We explored another potential stratagem, namely the relaxation of attention. Participants watched a video of a highly skilled magician whilst having their eye-blinks recorded. The timing of spontaneous eye-blinks was highly synchronized across participants. In addition, the synchronized blinks frequency occurred immediately after a seemingly impossible feat, and often coincided with actions that the magician wanted to conceal from the audience. Given that blinking is associated with the relaxation of attention, these findings suggest that blinking plays an important role in the perception of magic, and that magicians may utilize blinking and the relaxation of attention to hide certain secret actions. PMID:27069808

Navier-Stokes relaxation to sinh-Poisson states at finite Reynolds numbers

NASA Technical Reports Server (NTRS)

Montgomery, David; Shan, Xiaowen; Matthaeus, William H.

1993-01-01

A mathematical framework is proposed in which it seems possible to justify the computationally-observed relaxation of a two-dimensional Navier-Stokes fluid to a 'most probable', or maximum entropy, state. The relaxation occurs at large but finite Reynolds numbers, and involves substantial decay of higher-order ideal invariants such as enstrophy. A two-fluid formulation, involving interpenetrating positive and negative vorticity fluxes (continuous and square integrable) is developed, and is shown to be intimately related to the passive scalar decay problem. Increasing interpenetration of the two fluids corresponds to the decay of vorticity flux due to viscosity. It is demonstrated numerically that, in two dimensions, passive scalars decay rapidly, relative to mean-square vorticity (enstrophy). This observation provides a basis for assigning initial data to the two-fluid field variables.

Blink and you'll miss it: the role of blinking in the perception of magic tricks.

PubMed

Wiseman, Richard J; Nakano, Tamami

2016-01-01

Magicians use several techniques to deceive their audiences, including, for example, the misdirection of attention and verbal suggestion. We explored another potential stratagem, namely the relaxation of attention. Participants watched a video of a highly skilled magician whilst having their eye-blinks recorded. The timing of spontaneous eye-blinks was highly synchronized across participants. In addition, the synchronized blinks frequency occurred immediately after a seemingly impossible feat, and often coincided with actions that the magician wanted to conceal from the audience. Given that blinking is associated with the relaxation of attention, these findings suggest that blinking plays an important role in the perception of magic, and that magicians may utilize blinking and the relaxation of attention to hide certain secret actions.

Communication: Vibrational relaxation of CO(1Σ) in collision with Ar(1S) at temperatures relevant to the hypersonic flight regime.

PubMed

Denis-Alpizar, Otoniel; Bemish, Raymond J; Meuwly, Markus

2017-03-21

Vibrational energy relaxation (VER) of diatomics following collisions with the surrounding medium is an important elementary process for modeling high-temperature gas flow. VER is characterized by two parameters: the vibrational relaxation time τ vib and the state relaxation rates. Here the vibrational relaxation of CO(ν=0←ν=1) in Ar is considered for validating a computational approach to determine the vibrational relaxation time parameter (pτ vib ) using an accurate, fully dimensional potential energy surface. For lower temperatures, comparison with experimental data shows very good agreement whereas at higher temperatures (up to 25 000 K), comparisons with an empirically modified model due to Park confirm its validity for CO in Ar. Additionally, the calculations provide insight into the importance of Δν>1 transitions that are ignored in typical applications of the Landau-Teller framework.

Observation of partial relaxation mechanisms via anisotropic strain relief on epitaxial islands using semiconductor nanomembranes

NASA Astrophysics Data System (ADS)

Rosa, Barbara L. T.; Marçal, Lucas A. B.; Ribeiro Andrade, Rodrigo; Dornellas Pinto, Luciana; Rodrigues, Wagner N.; Lustoza Souza, Patrícia; Pamplona Pires, Mauricio; Wagner Nunes, Ricardo; Malachias, Angelo

2017-07-01

In this work we attempt to directly observe anisotropic partial relaxation of epitaxial InAs islands using transmission electron microscopy (TEM) and synchrotron x-ray diffraction on a 15 nm thick InAs:GaAs nanomembrane. We show that under such conditions TEM provides improved real-space statistics, allowing the observation of partial relaxation processes that were not previously detected by other techniques or by usual TEM cross section images. Besides the fully coherent and fully relaxed islands that are known to exist above previously established critical thickness, we prove the existence of partially relaxed islands, where incomplete 60° half-loop misfit dislocations lead to a lattice relaxation along one of the <110> directions, keeping a strained lattice in the perpendicular direction. Although individual defects cannot be directly observed, their implications to the resulting island registry are identified and discussed within the frame of half-loops propagations.

Observation of partial relaxation mechanisms via anisotropic strain relief on epitaxial islands using semiconductor nanomembranes.

PubMed

Rosa, Barbara L T; Marçal, Lucas A B; Andrade, Rodrigo Ribeiro; Pinto, Luciana Dornellas; Rodrigues, Wagner N; Souza, Patrícia Lustoza; Pires, Mauricio Pamplona; Nunes, Ricardo Wagner; Malachias, Angelo

2017-07-28

In this work we attempt to directly observe anisotropic partial relaxation of epitaxial InAs islands using transmission electron microscopy (TEM) and synchrotron x-ray diffraction on a 15 nm thick InAs:GaAs nanomembrane. We show that under such conditions TEM provides improved real-space statistics, allowing the observation of partial relaxation processes that were not previously detected by other techniques or by usual TEM cross section images. Besides the fully coherent and fully relaxed islands that are known to exist above previously established critical thickness, we prove the existence of partially relaxed islands, where incomplete 60° half-loop misfit dislocations lead to a lattice relaxation along one of the 〈110〉 directions, keeping a strained lattice in the perpendicular direction. Although individual defects cannot be directly observed, their implications to the resulting island registry are identified and discussed within the frame of half-loops propagations.

Upside/Downside statistical mechanics of nonequilibrium Brownian motion. I. Distributions, moments, and correlation functions of a free particle.

PubMed

Craven, Galen T; Nitzan, Abraham

2018-01-28

Statistical properties of Brownian motion that arise by analyzing, separately, trajectories over which the system energy increases (upside) or decreases (downside) with respect to a threshold energy level are derived. This selective analysis is applied to examine transport properties of a nonequilibrium Brownian process that is coupled to multiple thermal sources characterized by different temperatures. Distributions, moments, and correlation functions of a free particle that occur during upside and downside events are investigated for energy activation and energy relaxation processes and also for positive and negative energy fluctuations from the average energy. The presented results are sufficiently general and can be applied without modification to the standard Brownian motion. This article focuses on the mathematical basis of this selective analysis. In subsequent articles in this series, we apply this general formalism to processes in which heat transfer between thermal reservoirs is mediated by activated rate processes that take place in a system bridging them.

Upside/Downside statistical mechanics of nonequilibrium Brownian motion. I. Distributions, moments, and correlation functions of a free particle

NASA Astrophysics Data System (ADS)

Craven, Galen T.; Nitzan, Abraham

2018-01-01

Statistical properties of Brownian motion that arise by analyzing, separately, trajectories over which the system energy increases (upside) or decreases (downside) with respect to a threshold energy level are derived. This selective analysis is applied to examine transport properties of a nonequilibrium Brownian process that is coupled to multiple thermal sources characterized by different temperatures. Distributions, moments, and correlation functions of a free particle that occur during upside and downside events are investigated for energy activation and energy relaxation processes and also for positive and negative energy fluctuations from the average energy. The presented results are sufficiently general and can be applied without modification to the standard Brownian motion. This article focuses on the mathematical basis of this selective analysis. In subsequent articles in this series, we apply this general formalism to processes in which heat transfer between thermal reservoirs is mediated by activated rate processes that take place in a system bridging them.

Synergic nature of dielectric relaxation process in the layered perovskite halide salts: The case of 1,3- diammoniumpropylenetetrabromocadmate compound

NASA Astrophysics Data System (ADS)

Staśkiewicz, Beata

2018-06-01

The negative thermal expansion (NTE) property was a prototype to discuss the origin of difference between classical Debye relaxation process and the non-Debye behavior in the layered perovskite halide salt of chemical formula NH3(CH2)3NH3CdBr4. The analysis has been taken by dielectric relaxation spectroscopy measurements in almost six decades in frequency 5 × 102 ≤ f(ω) ≤ 1.2 × 108 and in the temperature range 315 ≤ T(K) ≤ 390. It was shown that the investigated sample exhibit an antiferrodistortive nature of phase transition between two orthorhombic structural modifications i.e. Pnma (phase I) and Ima2 (phase II) at Tc1(I → II) = 326 K, leading from an antiferroelectric to a paraelectric phase. The involvement of an odd number of carbon atoms in the alkylammonium chains in dielectric properties of examined sample is proved. Higher structural modifications, i.e. Ima2 (phase II) and P21/m (phase III), have shown significant deviations from a regular circle on the Cole-Cole diagram. Presented experimental observations are essentially important for the theoretical explanation of relaxation processes in analyzed organic - inorganic compound crystallizing in a perovskite-like topology and may provide new perspective on the fundamental aspect of relaxation response in "diammonium" series.

Thermal diffusivity and nuclear spin relaxation: a continuous wave free precession NMR study.

PubMed

Venâncio, Tiago; Engelsberg, Mario; Azeredo, Rodrigo B V; Colnago, Luiz A

2006-07-01

Continuous wave free precession (CWFP) nuclear magnetic resonance is capable of yielding quantitative and easily obtainable information concerning the kinetics of processes that change the relaxation rates of the nuclear spins through the action of some external agent. In the present application, heat flow from a natural rubber sample to a liquid nitrogen thermal bath caused a large temperature gradient leading to a non-equilibrium temperature distribution. The ensuing local changes in the relaxation rates could be monitored by the decay of the CWFP signals and, from the decays, it was possible to ascertain the prevalence of a diffusive process and to obtain an average value for the thermal diffusivity.

Theoretical study on ultrafast intersystem crossing of chromium(III) acetylacetonate

NASA Astrophysics Data System (ADS)

Ando, Hideo; Iuchi, Satoru; Sato, Hirofumi

2012-05-01

In the relaxation process from the 4T2g state of chromium(III) acetylacetonate, CrIII(acac)3, ultrafast intersystem crossing (ISC) competes with vibrational relaxation (VR). This contradicts the conventional cascade model, where ISC rates are slower than VR ones. We hence investigate the relaxation process with quantum chemical calculations and excited-state wavepacket simulations to obtain clues about the origins of the ultrafast ISC. It is found that a potential energy curve of the 4T2g state crosses those of the 2T1g states near the Franck-Condon region and their spin-orbit couplings are strong. Consequently, ultrafast ISC between these states is observed in the wavepacket simulation.

Micro-Macro Coupling in Plasma Self-Organization Processes during Island Coalescence

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

Wan Weigang; Lapenta, Giovanni; Centrum voor Plasma-Astrofysica, Departement Wiskunde, Katholieke Universiteit Leuven, Celestijnenlaan 200B, 3001 Leuven

The collisionless island coalescence process is studied with particle-in-cell simulations, as an internal-driven magnetic self-organization scenario. The macroscopic relaxation time, corresponding to the total time required for the coalescence to complete, is found to depend crucially on the scale of the system. For small-scale systems, where the macroscopic scales and the dissipation scales are more tightly coupled, the relaxation time is independent of the strength of the internal driving force: the small-scale processes of magnetic reconnection adjust to the amount of the initial magnetic flux to be reconnected, indicating that at the microscopic scales reconnection is enslaved by the macroscopicmore » drive. However, for large-scale systems, where the micro-macro scale separation is larger, the relaxation time becomes dependent on the driving force.« less

Dynamics of asymmetric non-polymeric binary glass formers—A nuclear magnetic resonance and dielectric spectroscopy study

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

Pötzschner, B.; Mohamed, F.; Lichtinger, A.

2015-10-21

We study a dynamically asymmetric binary glass former with the low-T{sub g} component m-tri-cresyl phosphate (m-TCP: T{sub g} = 206 K) and a spirobichroman derivative as a non-polymeric high-T{sub g} component (T{sub g} = 382 K) by means of {sup 1}H nuclear magnetic resonance (NMR), {sup 31}P NMR, and dielectric spectroscopy which allow component-selectively probing the dynamics. The entire concentration range is covered, and two main relaxation processes with two T{sub g} are identified, T{sub g1} and T{sub g2}. The slower one is attributed to the high-T{sub g} component (α{sub 1}-process), and the faster one is related to the m-TCPmore » molecules (α{sub 2}-process). Yet, there are indications that a small fraction of m-TCP is associated also with the α{sub 1}-process. While the α{sub 1}-relaxation only weakly broadens upon adding m-TCP, the α{sub 2}-relaxation becomes extremely stretched leading to quasi-logarithmic correlation functions at low m-TCP concentrations—as probed by {sup 31}P NMR stimulated echo experiments. Frequency-temperature superposition does not apply for the α{sub 2}-process and it reflects an isotropic, liquid-like motion which is observed even below T{sub g1}, i.e., in the matrix of the arrested high-T{sub g} molecules. As proven by 2D {sup 31}P NMR, the corresponding dynamic heterogeneities are of transient nature, i.e., exchange occurs within the distribution G(lnτ{sub α2}). At T{sub g1} a crossover is found for the temperature dependence of (mean) τ{sub α2}(T) from non-Arrhenius above to Arrhenius below T{sub g1} which is attributed to intrinsic confinement effects. This “fragile-to-strong” transition also leads to a re-decrease of T{sub g2}(c{sub m−TCP}) at low concentration c{sub m−TCP}, i.e., a maximum is observed in T{sub g2}(c{sub m−TCP}) while T{sub g1}(c{sub m−TCP}) displays the well-known plasticizer effect. Although only non-polymeric components are involved, we re-discover essentially all features previously reported for polymer-plasticizer systems.« less

Correlations of low-field NMR and variable-field NMR parameters with osteoarthritis in human articular cartilage under load.

PubMed

Rössler, Erik; Mattea, Carlos; Saarakkala, Simo; Lehenkari, Petri; Finnilä, Mikko; Rieppo, Lassi; Karhula, Sakari; Nieminen, Miika T; Stapf, Siegfried

2017-08-01

NMR experiments carried out at magnetic fields below 1 T provide new relaxation parameters unavailable with conventional clinical scanners. Contrast of T 1 generally becomes larger towards low fields, as slow molecular reorientation processes dominate relaxation at the corresponding Larmor frequencies. This advantage has to be considered in the context of lower sensitivity and frequently reduced spatial resolution. The layered structure of cartilage is one example where a particularly strong variation of T 1 across the tissue occurs, being affected by degenerative diseases such as osteoarthritis (OA). Furthermore, the presence of 1 H- 14  N cross-relaxation, leading to so-called quadrupolar dips in the 1 H relaxation time dispersion, provide insight into the concentration and mobility of proteoglycans and collagen in cartilage, both being affected by OA. In this study, low-field imaging and variable-field NMR relaxometry were combined for the first time for tissue samples, employing unidirectional load to probe the mechanical properties. 20 human knee cartilage samples were placed in a compression cell, and studied by determining relaxation profiles without and with applied pressure (0.6 MPa) at 50 μm in-plane resolution, and comparing with volume-averaged T 1 dispersion. Samples were subsequently stored in formalin, prepared for histology and graded according to the Mankin score system. Quadrupolar dips and thickness change under load showed the strongest correlation with Mankin grade. Average T 1 and change of maximum T 1 under load, as well as its position, correlate with thickness and thickness change. Furthermore, T 1 (ω) above 25 mT was found to correlate with thickness change. While volume-averaged T 1 is not a suitable indicator for OA, its change due to mechanical load and its extreme values are suggested as biomarkers available in low-field MRI systems. The shape of the dispersion T 1 (ω) represents a promising access to understanding and quantifying molecular dynamics in tissue, pointing toward future in vivo tissue studies. Copyright © 2017 John Wiley & Sons, Ltd.

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

Doughty, Benjamin; Simpson, Mary Jane; Yang, Bin

Our work aims to simplify multi-dimensional femtosecond transient absorption microscopy (TAM) data into decay associated amplitude maps that describe the spatial distributions of dynamical processes occurring on various characteristic timescales. Application of this method to TAM data obtained from a model methyl-ammonium lead iodide (CH 3NH 3PbI 3) perovskite thin film allows us to simplify the dataset consisting of a 68 time-resolved images into 4 decay associated amplitude maps. Furthermore, these maps provide a simple means to visualize the complex electronic excited-state dynamics in this system by separating distinct dynamical processes evolving on characteristic timescales into individual spatial images. Thismore » approach provides new insight into subtle aspects of ultrafast relaxation dynamics associated with excitons and charge carriers in the perovskite thin film, which have recently been found to coexist at spatially distinct locations.« less

Viscous relaxation as a prerequisite for tectonic resurfacing on Ganymede: Insights from numerical models of lithospheric extension

USGS Publications Warehouse

Bland, Michael T.; McKinnon, William B.

2018-01-01

Ganymede’s bright terrain formed during a near-global resurfacing event (or events) that produced both heavily tectonized and relatively smooth terrains. The mechanism(s) by which resurfacing occurred on Ganymede (e.g., cryovolcanic or tectonic), and the relationship between the older, dark and the younger, bright terrain are fundamental to understanding the geological evolution of the satellite. Using a two-dimensional numerical model of lithospheric extension that has previously been used to successfully simulate surface deformation consistent with grooved terrain morphologies, we investigate whether large-amplitude preexisting topography can be resurfaced (erased) by extension (i.e., tectonic resurfacing). Using synthetically produced initial topography, we show that when the total relief of the initial topography is larger than 25–50 m, periodic groove-like structures fail to form. Instead, extension is localized in a few individual, isolated troughs. These results pose a challenge to the tectonic resurfacing hypothesis. We further investigate the effects of preexisting topography by performing suites of simulations initialized with topography derived from digital terrain models of Ganymede’s surface. These include dark terrain, fresh (relatively deep) impact craters, smooth bright terrain, and a viscously relaxed impact crater. The simulations using dark terrain and fresh impact craters are consistent with our simulations using synthetic topography: periodic groove-like deformation fails to form. In contrast, when simulations were initialized with bright smooth terrain topography, groove-like deformation results from a wide variety of heat flow and surface temperature conditions. Similarly, when a viscously relaxed impact crater was used, groove-like structures were able to form during extension. These results suggest that tectonic resurfacing may require that the amplitude of the initial topography be reduced before extension begins. We emphasize that viscous relaxation may be the key to enabling tectonic resurfacing, as the heat fluxes associated with groove terrain formation are also capable of reducing crater topography through viscous relaxation. For long-wavelength topography (large craters) viscous relaxation is unavoidable. We propose that the resurfacing of Ganymede occurred through a combination of viscous relaxation, tectonic resurfacing, cryovolcanism and, at least in a few cases, band formation. Variations in heat flow and strain magnitudes across Ganymede likely produced the complex variety of terrain types currently observed.

Viscous relaxation as a prerequisite for tectonic resurfacing on Ganymede: Insights from numerical models of lithospheric extension

NASA Astrophysics Data System (ADS)

Bland, Michael T.; McKinnon, William B.

2018-05-01

Ganymede's bright terrain formed during a near-global resurfacing event (or events) that produced both heavily tectonized and relatively smooth terrains. The mechanism(s) by which resurfacing occurred on Ganymede (e.g., cryovolcanic or tectonic), and the relationship between the older, dark and the younger, bright terrain are fundamental to understanding the geological evolution of the satellite. Using a two-dimensional numerical model of lithospheric extension that has previously been used to successfully simulate surface deformation consistent with grooved terrain morphologies, we investigate whether large-amplitude preexisting topography can be resurfaced (erased) by extension (i.e., tectonic resurfacing). Using synthetically produced initial topography, we show that when the total relief of the initial topography is larger than 25-50 m, periodic groove-like structures fail to form. Instead, extension is localized in a few individual, isolated troughs. These results pose a challenge to the tectonic resurfacing hypothesis. We further investigate the effects of preexisting topography by performing suites of simulations initialized with topography derived from digital terrain models of Ganymede's surface. These include dark terrain, fresh (relatively deep) impact craters, smooth bright terrain, and a viscously relaxed impact crater. The simulations using dark terrain and fresh impact craters are consistent with our simulations using synthetic topography: periodic groove-like deformation fails to form. In contrast, when simulations were initialized with bright smooth terrain topography, groove-like deformation results from a wide variety of heat flow and surface temperature conditions. Similarly, when a viscously relaxed impact crater was used, groove-like structures were able to form during extension. These results suggest that tectonic resurfacing may require that the amplitude of the initial topography be reduced before extension begins. We emphasize that viscous relaxation may be the key to enabling tectonic resurfacing, as the heat fluxes associated with groove terrain formation are also capable of reducing crater topography through viscous relaxation. For long-wavelength topography (large craters) viscous relaxation is unavoidable. We propose that the resurfacing of Ganymede occurred through a combination of viscous relaxation, tectonic resurfacing, cryovolcanism and, at least in a few cases, band formation. Variations in heat flow and strain magnitudes across Ganymede likely produced the complex variety of terrain types currently observed.

Fluid Transport in Porous Media probed by Relaxation-Exchange NMR

NASA Astrophysics Data System (ADS)

Olaru, A. M.; Kowalski, J.; Sethi, V.; Blümich, B.

2011-12-01

The characterization of fluid transport in porous media represents a matter of high interest in fields like the construction industry, oil exploitation, and soil science. Moisture migration or flow at low rates, such as those occurring in soil during rain are difficult to characterize by classical high-field NMR velocimetry due to the dedicated hardware and elaborate techniques required for adequate signal encoding. The necessity of field studies raises additional technical problems, which can be solved only by the use of portable low-field NMR instruments. In this work we extend the use of low-field relaxation exchange experiments from the study of diffusive transport to that of advection. Relaxation exchange experiments were performed using a home-built Halbach magnet on model porous systems with controlled pore-size distributions and on natural porous systems (quartz sand with a broad pore-size distribution) exposed to unidirectional flow. Different flow rates leave distinctive marks on the exchange maps obtained by inverse Laplace transformation of the time domain results, due to the superposition of exchange, diffusion and inflow/outflow in multiple relaxation sites of the liquids in the porous media. In the case of slow velocities there is no loss of signal due to outflow, and the relaxation-exchange effects prevail, leading to a tilt of the diagonal distribution around a pivot point with increasing mixing time. The tilt suggests an asymmetry in the exchange between relaxation sites of large and small decay rates. Another observed phenomenon is the presence of a bigger number of exchange cross-peaks compared to the exchange maps obtained for the same systems in zero-flow conditions. We assume that this is due to enhanced exchange caused by the superposition of flow. For high velocities the outflow effects dominate and the relaxation-time distribution collapses towards lower values of the average relaxation times. In both cases the pore-size distribution has a strong effect on the results, the asymmetries being more obvious in the natural porous systems than in the glass bead packs used as models, while the enhanced exchange phenomenon appears predominantly in the maps obtained on the model systems. This is probably due to diffusion occurring in the presence of different internal field gradients. Shifts and tilts in the exchange maps can be simulated by solving the relaxation site-averaged Bloch-Torrey system forward in time and assuming an asymmetric closure for the transport, which might be realistic for preferential flow phenomena or for pore-size distributions with two or more clearly distinct pore size classes. When comparing the simulations results with the experimental data we observed a correspondence of signal collapse and translation towards lower relaxation times. The asymmetries could be qualitatively reproduced by making further assumptions on the pore structure, but further work is required to characterize and model the physical phenomenon behind. The results obtained reveal the possibility of characterizing advective fluid transport in porous systems by simple correlation experiments performed with inexpensive and mobile hardware.

HDL-associated dehydroepiandrosterone fatty acyl esters: enhancement of vasodilatory effect of HDL.

PubMed

Paatela, Hanna; Mervaala, Eero; Deb, Somdatta; Wähälä, Kristiina; Tikkanen, Matti J

2009-10-01

Dehydroepiandrosterone (DHEA) and high-density lipoprotein (HDL) are both vascular relaxants. In the circulation, HDL transports DHEA fatty acyl esters (DHEA-FAEs), which are naturally occurring lipophilic derivatives of DHEA. We studied in isolated rat mesenteric arteries whether HDL-associated DHEA-FAE improves the vasodilatory effect of HDL. To prepare DHEA-FAE-enriched HDL, we incubated DHEA with human plasma. After incubation, HDL was isolated, purified, and added in cumulative doses (0.1-125 microg/ml) to noradrenaline-precontracted rat arterial rings. DHEA-FAE-enriched HDL caused a dose-dependent relaxation (maximal 43+/-4%), which was significantly stronger than the effect of HDL from the control incubation without addition of DHEA (25+/-2%, p<0.001). When plasma incubation of DHEA was carried out in the presence of lecithin:cholesterol acyltransferase (LCAT) inhibitor, the relaxation response to HDL (25+/-3%) did not differ from the control HDL (p=0.98). Pretreatment of the arterial rings with nitric oxide synthase (NOS) antagonist impaired the relaxation response to DHEA-FAE-enriched HDL (43+/-4% vs. 30+/-3%, p=0.008). Similar experiments were performed with 17beta-estradiol (E(2)). Compared to control HDL, E(2)-FAE-enriched HDL induced slightly but non-significantly stronger relaxation. DHEA-FAE-enriched HDL was a stronger vasodilator than native HDL, and vascular relaxation was in part mediated by NOS, suggesting that DHEA-FAE may improve HDL's antiatherogenic function.

CHD3 and CHD4 recruitment and chromatin remodeling activity at DNA breaks is promoted by early poly(ADP-ribose)-dependent chromatin relaxation.

PubMed

Smith, Rebecca; Sellou, Hafida; Chapuis, Catherine; Huet, Sébastien; Timinszky, Gyula

2018-05-04

One of the first events to occur upon DNA damage is the local opening of the compact chromatin architecture, facilitating access of repair proteins to DNA lesions. This early relaxation is triggered by poly(ADP-ribosyl)ation by PARP1 in addition to ATP-dependent chromatin remodeling. CHD4 recruits to DNA breaks in a PAR-dependent manner, although it lacks any recognizable PAR-binding domain, and has the ability to relax chromatin structure. However, its role in chromatin relaxation at the site of DNA damage has not been explored. Using a live cell fluorescence three-hybrid assay, we demonstrate that the recruitment of CHD4 to DNA damage, while being poly(ADP-ribosyl)ation-dependent, is not through binding poly(ADP-ribose). Additionally, we show that CHD3 is recruited to DNA breaks in the same manner as CHD4 and that both CHD3 and CHD4 play active roles in chromatin remodeling at DNA breaks. Together, our findings reveal a two-step mechanism for DNA damage induced chromatin relaxation in which PARP1 and the PAR-binding remodeler activities of Alc1/CHD1L induce an initial chromatin relaxation phase that promotes the subsequent recruitment of CHD3 and CHD4 via binding to DNA for further chromatin remodeling at DNA breaks.

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

Johnson, W. R.; Nilsen, J.

Here, the influence of finite relaxation times on Thomson scattering from warm dense plasmas is examined within the framework of the average-atom approximation. Presently most calculations use the collision-free Lindhard dielectric function to evaluate the free-electron contribution to the Thomson cross section. In this work, we use the Mermin dielectric function, which includes relaxation time explicitly. The relaxation time is evaluated by treating the average atom as an impurity in a uniform electron gas and depends critically on the transport cross section. The calculated relaxation rates agree well with values inferred from the Ziman formula for the static conductivity andmore » also with rates inferred from a fit to the frequency-dependent conductivity. Transport cross sections determined by the phase-shift analysis in the average-atom potential are compared with those evaluated in the commonly used Born approximation. The Born approximation converges to the exact cross sections at high energies; however, differences that occur at low energies lead to corresponding differences in relaxation rates. The relative importance of including relaxation time when modeling x-ray Thomson scattering spectra is examined by comparing calculations of the free-electron dynamic structure function for Thomson scattering using Lindhard and Mermin dielectric functions. Applications are given to warm dense Be plasmas, with temperatures ranging from 2 to 32 eV and densities ranging from 2 to 64 g/cc.« less

Collective relaxation processes in atoms, molecules and clusters

NASA Astrophysics Data System (ADS)

Kolorenč, Přemysl; Averbukh, Vitali; Feifel, Raimund; Eland, John

2016-04-01

Electron correlation is an essential driver of a variety of relaxation processes in excited atomic and molecular systems. These are phenomena which often lead to autoionization typically involving two-electron transitions, such as the well-known Auger effect. However, electron correlation can give rise also to higher-order processes characterized by multi-electron transitions. Basic examples include simultaneous two-electron emission upon recombination of an inner-shell vacancy (double Auger decay) or collective decay of two holes with emission of a single electron. First reports of this class of processes date back to the 1960s, but their investigation intensified only recently with the advent of free-electron lasers. High fluxes of high-energy photons induce multiple excitation or ionization of a system on the femtosecond timescale and under such conditions the importance of multi-electron processes increases significantly. We present an overview of experimental and theoretical works on selected multi-electron relaxation phenomena in systems of different complexity, going from double Auger decay in atoms and small molecules to collective interatomic autoionization processes in nanoscale samples.

Dynamic neutron scattering from conformational dynamics. I. Theory and Markov models

NASA Astrophysics Data System (ADS)

Lindner, Benjamin; Yi, Zheng; Prinz, Jan-Hendrik; Smith, Jeremy C.; Noé, Frank

2013-11-01

The dynamics of complex molecules can be directly probed by inelastic neutron scattering experiments. However, many of the underlying dynamical processes may exist on similar timescales, which makes it difficult to assign processes seen experimentally to specific structural rearrangements. Here, we show how Markov models can be used to connect structural changes observed in molecular dynamics simulation directly to the relaxation processes probed by scattering experiments. For this, a conformational dynamics theory of dynamical neutron and X-ray scattering is developed, following our previous approach for computing dynamical fingerprints of time-correlation functions [F. Noé, S. Doose, I. Daidone, M. Löllmann, J. Chodera, M. Sauer, and J. Smith, Proc. Natl. Acad. Sci. U.S.A. 108, 4822 (2011)]. Markov modeling is used to approximate the relaxation processes and timescales of the molecule via the eigenvectors and eigenvalues of a transition matrix between conformational substates. This procedure allows the establishment of a complete set of exponential decay functions and a full decomposition into the individual contributions, i.e., the contribution of every atom and dynamical process to each experimental relaxation process.

Accidental Kähler moduli inflation

NASA Astrophysics Data System (ADS)

Maharana, Anshuman; Rummel, Markus; Sumitomo, Yoske

2015-09-01

We study a model of accidental inflation in type IIB string theory where inflation occurs near the inflection point of a small Kähler modulus. A racetrack structure helps to alleviate the known concern that string-loop corrections may spoil Kähler Moduli Inflation unless having a significant suppression via the string coupling or a special brane setup. Also, the hierarchy of gauge group ranks required for the separation between moduli stabilization and inflationary dynamics is relaxed. The relaxation becomes more significant when we use the recently proposed D-term generated racetrack model.

Fast relaxations in foam

NASA Astrophysics Data System (ADS)

Krishan, Kapilanjan; Helal, Ahmed; Höhler, Reinhard; Cohen-Addad, Sylvie

2010-07-01

Aqueous foams present an anomalous macroscopic viscoelastic response at high frequency, previously shown to arise from collective relaxations in the disordered bubble packing. We demonstrate experimentally how these mesoscopic dynamics are in turn tuned by physico-chemical processes on the scale of the gas-liquid interfaces. Two specific local dissipation processes are identified, and we show how the rigidity of the interfaces selects the dominant one, depending on the choice of the surfactant.

Surface properties and exponential stress relaxations of mammalian meibum films.

PubMed

Eftimov, Petar; Yokoi, Norihiko; Tonchev, Vesselin; Nencheva, Yana; Georgiev, Georgi As

2017-03-01

The surface properties of meibomian secretion (MGS), the major constituent of the tear film (TF) lipid layer, are of key importance for TF stability. The interfacial properties of canine, cMGS, and feline, fMGS, meibum films were studied using a Langmuir surface balance. These species were selected because they have blinking frequency and TF stability similar to those of humans. The sample's performance during dynamic area changes was evaluated by surface pressure (π)-area (A) isocycles and the layer structure was monitored with Brewster angle microscopy. The films' dilatational rheology was probed via the stress-relaxation technique. The animal MGS showed similar behavior both between each other and with human MGS (studied previously). They form reversible, non-collapsible, multilayer thick films. The relaxations of canine, feline, and human MGS films were well described by double exponential decay reflecting the presence of two processes: (1) fast elastic process, with characteristic time τ < 10 s and (2) slow viscous process, with τ > 100 s-emphasizing the meibum layers viscoelasticity. The temperature decrease from 35 to 25 °C resulted in decreased thickness and lateral expansion of all MGS layers accompanied with increase of the π/A hysteresis and of the elastic process contribution to π relaxation transients. Thus, MGS films of mammals with similar blinking frequency and TF stability have similar surface properties and stress relaxations unaltered by the interspecies MGS compositional variations. Such knowledge may impact the selection of animal mimics of human MGS and on a better understanding of lipid classes' impact on meibum functionality.

Non-polymeric asymmetric binary glass-formers. II. Secondary relaxation studied by dielectric, 2H NMR, and 31P NMR spectroscopy

NASA Astrophysics Data System (ADS)

Pötzschner, B.; Mohamed, F.; Bächer, C.; Wagner, E.; Lichtinger, A.; Bock, D.; Kreger, K.; Schmidt, H.-W.; Rössler, E. A.

2017-04-01

We investigate the secondary (β-) relaxations of an asymmetric binary glass former consisting of a spirobichroman derivative (SBC; Tg = 356 K) as the high-Tg component and the low-Tg component tripropyl phosphate (TPP; Tg = 134 K). The main relaxations are studied in Paper I [B. Pötzschner et al., J. Chem. Phys. 146, 164503 (2017)]. A high Tg contrast of ΔTg = 222 K is put into effect in a non-polymeric system. Component-selective studies are carried out by combining results from dielectric spectroscopy (DS) for mass concentrations cTPP ≥ 60% and those from different methods of 2H and 31P NMR spectroscopy. In the case of NMR, the full concentration range (10% ≤ cTPP ≤ 100%) is covered. The neat components exhibit a β-relaxation (β1 (SBC) and β2 (TPP)). The latter is rediscovered by DS in the mixtures for all concentrations with unchanged time constants. NMR spectroscopy identifies the β-relaxations as being alike to those in neat glasses. A spatially highly restricted motion with angular displacement below ±10° encompassing all molecules is involved. In the low temperature range, where TPP shows the typical 31P NMR echo spectra of the β2-process, very similar spectral features are observed for the (deuterated) SBC component by 2H NMR, in addition to its "own" β1-process observed at high temperatures. Apparently, the small TPP molecules enslave the large SBC molecules to perform a common hindered reorientation. The temperature dependence of the spin-lattice relaxation time of both components is the same and reveals an angular displacement of the SBC molecules somewhat smaller than that of TPP, though the time constants τβ2 are the same. Furthermore, T1(T) of TPP in the temperature region of the β2-process is absolutely the same as in the mixture TPP/polystyrene investigated previously. It appears that the manifestations of the β-process introduced by one component are essentially independent of the second component. Finally, at cTPP ≤ 20% one finds indications that the β2-process starts to disintegrate. More and more TPP molecules get immobilized upon decreasing cTPP. We conclude that the β-process is a cooperative process.

Effect of fluctuations on the NMR relaxation beyond the Abrikosov vortex state

DOE PAGES

Glatz, A.; Galda, A.; Varlamov, A. A.

2015-08-25

Here, the effect of fluctuations on the nuclear magnetic resonance (NMR) relaxation rate W = T –1 1 is studied in a complete phase diagram of a two-dimensional superconductor above the upper critical field line H c2(T). In the region of relatively high temperatures and low magnetic fields, the relaxation rate W is determined by two competing effects. The first one is its decrease in the result of suppression of the quasiparticle density of states (DOS) due to formation of fluctuation Cooper pairs (FCPs). The second one is a specific, purely quantum relaxation process of the Maki-Thompson (MT) type, whichmore » for low field leads to an increase of the relaxation rate. The latter describes particular fluctuation processes involving self-pairing of a single electron on self-intersecting trajectories of a size up to phase-breaking length ℓ Φ which becomes possible due to an electron spin-flip scattering event at a nucleus. As a result, different scenarios with either growth or decrease of the NMR relaxation rate are possible upon approaching the normal-metal–type-II superconductor transition. The character of fluctuations changes along the line H c2(T) from the thermal long-wavelength type in weak magnetic fields to the clusters of rotating FCPs in fields comparable to Hc2(0). We find that below the well-defined temperature T* 0 ≈ 0.6T c0, the MT process becomes ineffective even in the absence of intrinsic pair breaking. The small scale of the FCP rotations ξ xy in such high fields impedes formation of long (≲ℓ Φ) self-intersecting trajectories, causing the corresponding relaxation mechanism to lose its efficiency. This reduces the effect of superconducting fluctuations in the domain of high fields and low temperatures to just the suppression of quasiparticle DOS, analogous to the Abrikosov vortex phase below the H c2(T) line.« less

Dynamics in supercooled polyalcohols: Primary and secondary relaxation

NASA Astrophysics Data System (ADS)

Döß, A.; Paluch, M.; Sillescu, H.; Hinze, G.

2002-10-01

We have studied details of the molecular dynamics in a series of pure polyalcohols by means of dielectric spectroscopy and 2H nuclear magnetic resonance (NMR). From glycerol to threitol, xylitol and sorbitol a systematic change in the dynamics of the primary and secondary relaxation is found. With increasing molecular weight and fragility an increase in the width of the α-peak is observed. Details of the molecular reorientation process responsible for the α-relaxation were exploited by two-dimensional NMR experiments. It is found that in the same sequence of polyalcohols the appearance of the secondary relaxation changes gradually from a wing type scenario to a pronounced β-peak. From NMR experiments using selectively deuterated samples the molecular origin of the secondary relaxation could be elucidated in more detail.

Mechanisms of postseismic relaxation after a great subduction earthquake constrained by cross-scale thermomechanical model and geodetic observations

NASA Astrophysics Data System (ADS)

Sobolev, Stephan; Muldashev, Iskander

2016-04-01

According to conventional view, postseismic relaxation process after a great megathrust earthquake is dominated by fault-controlled afterslip during first few months to year, and later by visco-elastic relaxation in mantle wedge. We test this idea by cross-scale thermomechanical models of seismic cycle that employs elasticity, mineral-physics constrained non-linear transient viscous rheology and rate-and-state friction plasticity. As initial conditions for the models we use thermomechanical models of subduction zones at geological time-scale including a narrow subduction channel with low static friction for two settings, similar to the Southern Chile in the region of the great Chile Earthquake of 1960 and Japan in the region of Tohoku Earthquake of 2011. We next introduce in the same models classic rate-and state friction law in subduction channels, leading to stick-slip instability. The models start to generate spontaneous earthquake sequences and model parameters are set to closely replicate co-seismic deformations of Chile and Japan earthquakes. In order to follow in details deformation process during the entire seismic cycle and multiple seismic cycles we use adaptive time-step algorithm changing integration step from 40 sec during the earthquake to minute-5 year during postseismic and interseismic processes. We show that for the case of the Chile earthquake visco-elastic relaxation in the mantle wedge becomes dominant relaxation process already since 1 hour after the earthquake, while for the smaller Tohoku earthquake this happens some days after the earthquake. We also show that our model for Tohoku earthquake is consistent with the geodetic observations for the day-to-4year time range. We will demonstrate and discuss modeled deformation patterns during seismic cycles and identify the regions where the effects of afterslip and visco-elastic relaxation can be best distinguished.

Thermal conductivity in large - J two-dimensional antiferromagnets: Role of phonon scattering

DOE PAGES

Chernyshev, A. L.; Brenig, Wolfram

2015-08-05

Different types of relaxation processes for magnon heat current are discussed, with a particular focus on coupling to three-dimensional phonons. There is thermal conductivity by these in-plane magnetic excitations using two distinct techniques: Boltzmann formalism within the relaxation-time approximation and memory-function approach. Also considered are the scattering of magnons by both acoustic and optical branches of phonons. We demonstrate an accord between the two methods, regarding the asymptotic behavior of the effective relaxation rates. It is strongly suggested that scattering from optical or zone-boundary phonons is important for magnon heat current relaxation in a high-temperature window of ΘD≲T<< J.

Hybrid Cognitive Behavioral Therapy versus Relaxation Training for Co-Occurring Anxiety and Alcohol Disorder: A Randomized Clinical Trial

ERIC Educational Resources Information Center

Kushner, Matt G.; Maurer, Eric W.; Thuras, Paul; Donahue, Chris; Frye, Brenda; Menary, Kyle R.; Hobbs, Jennifer; Haeny, Angela M.; Van Demark, Joani

2013-01-01

Objective: Treatment for alcohol use disorder (AUD) is far less effective for those with a co-occurring anxiety disorder. Surprisingly, adding an independent anxiety treatment to AUD treatment does not substantially improve the poor alcohol outcomes of these patients. This may reflect the lack of attention from independent treatments to the…

Solute induced relaxation in glassy polymers: Experimental measurements and nonequilibrium thermodynamic model

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

Minelli, Matteo; Doghieri, Ferruccio

2014-05-15

Data for kinetics of mass uptake from vapor sorption experiments in thin glassy polymer samples are here interpreted in terms of relaxation times for volume dilation. To this result, both models from non-equilibrium thermodynamics and from mechanics of volume relaxation contribute. Different kind of sorption experiments have been considered in order to facilitate the direct comparison between kinetics of solute induced volume dilation and corresponding data from process driven by pressure or temperature jumps.

Spin-lattice relaxation of individual solid-state spins

NASA Astrophysics Data System (ADS)

Norambuena, A.; Muñoz, E.; Dinani, H. T.; Jarmola, A.; Maletinsky, P.; Budker, D.; Maze, J. R.

2018-03-01

Understanding the effect of vibrations on the relaxation process of individual spins is crucial for implementing nanosystems for quantum information and quantum metrology applications. In this work, we present a theoretical microscopic model to describe the spin-lattice relaxation of individual electronic spins associated to negatively charged nitrogen-vacancy centers in diamond, although our results can be extended to other spin-boson systems. Starting from a general spin-lattice interaction Hamiltonian, we provide a detailed description and solution of the quantum master equation of an electronic spin-one system coupled to a phononic bath in thermal equilibrium. Special attention is given to the dynamics of one-phonon processes below 1 K where our results agree with recent experimental findings and analytically describe the temperature and magnetic-field scaling. At higher temperatures, linear and second-order terms in the interaction Hamiltonian are considered and the temperature scaling is discussed for acoustic and quasilocalized phonons when appropriate. Our results, in addition to confirming a T5 temperature dependence of the longitudinal relaxation rate at higher temperatures, in agreement with experimental observations, provide a theoretical background for modeling the spin-lattice relaxation at a wide range of temperatures where different temperature scalings might be expected.

Small polaronic hole hopping mechanism and Maxwell-Wagner relaxation in NdFeO3

NASA Astrophysics Data System (ADS)

Ahmad, I.; Akhtar, M. J.; Younas, M.; Siddique, M.; Hasan, M. M.

2012-10-01

In the modern micro-electronics, transition metal oxides due to their colossal values of dielectric permittivity possess huge potential for the development of capacitive energy storage devices. In the present work, the dielectric permittivity and the effects of temperature and frequency on the electrical transport properties of polycrystalline NdFeO3, prepared by solid state reaction method, are discussed. Room temperature Mossbauer spectrum confirms the phase purity, octahedral environment for Fe ion, and high spin state of Fe3+ ion. From the impedance spectroscopic measurements, three relaxation processes are observed, which are related to grains, grain boundaries (gbs), and electrode-semiconductor contact in the measured temperature and frequency ranges. Decrease in resistances and relaxation times of the grains and grain boundaries with temperature confirms the involvement of thermally activated conduction mechanisms. Same type of charge carriers (i.e., small polaron hole hopping) have been found responsible for conduction and relaxation processes through the grain and grain boundaries. The huge value of the dielectric constant (˜8 × 103) at high temperature and low frequency is correlated to the Maxwell-Wagner relaxation due to electrode-sample contact.

Polymer relaxation and stretching dynamics in semi-dilute DNA solutions: a single molecule study

NASA Astrophysics Data System (ADS)

Hsiao, Kai-Wen; Brockman, Christopher; Schroeder, Charles

2015-03-01

In this work, we study polymer relaxation and stretching dynamics in semi-dilute DNA solutions using single molecule techniques. Using this approach, we uncover a unique scaling relation for longest polymer relaxation time that falls in the crossover regime described by semi-flexible polymer solutions, which is distinct from truly flexible polymer chains. In addition, we performed a series of step-strain experiments on single polymers in semi-dilute solutions in planar extensional flow using an automated microfluidic trap. In this way, we are able to precisely control the flow strength and the amount of strain applied to single polymer chains, thereby enabling direct observation of the full stretching and relaxation process in semi-dilute solutions during transient start-up and flow cessation. Interestingly, we observe polymer individualism in the conformation of single chains in semi-dilute solutions, which to our knowledge has not yet been observed. In addition, we observe the relaxation data can be explained by a multi-exponential decay process after flow cessation in semi-dilute solutions. Overall, our work reports key advance in non-dilute polymer systems from a molecular perspective via direct observation of dynamics in strong flows. DOW fellowship.

Relaxation of selection, niche construction, and the Baldwin effect in language evolution.

PubMed

Yamauchi, Hajime; Hashimoto, Takashi

2010-01-01

Deacon has suggested that one of the key factors of language evolution is not characterized by an increase in genetic contribution, often known as the Baldwin effect, but rather by a decrease. This process effectively increases linguistic learning capability by organizing a novel synergy of multiple lower-order functions previously irrelevant to the process of language acquisition. Deacon posits that this transition is not caused by natural selection. Rather, it is due to the relaxation of natural selection. While there are some cases in which relaxation caused by some external factors indeed induces the transition, we do not know what kind of relaxation has worked in language evolution. In this article, a genetic-algorithm-based computer simulation is used to investigate how the niche-constructing aspect of linguistic behavior may trigger the degradation of genetic predisposition related to language learning. The results show that agents initially increase their genetic predisposition for language learning—the Baldwin effect. They create a highly uniform sociolinguistic environment—a linguistic niche construction. This means that later generations constantly receive very similar inputs from adult agents, and subsequently the selective pressure to retain the genetic predisposition is relaxed.

Low light adaptation: energy transfer processes in different types of light harvesting complexes from Rhodopseudomonas palustris.

PubMed

Moulisová, Vladimíra; Luer, Larry; Hoseinkhani, Sajjad; Brotosudarmo, Tatas H P; Collins, Aaron M; Lanzani, Guglielmo; Blankenship, Robert E; Cogdell, Richard J

2009-12-02

Energy transfer processes in photosynthetic light harvesting 2 (LH2) complexes isolated from purple bacterium Rhodopseudomonas palustris grown at different light intensities were studied by ground state and transient absorption spectroscopy. The decomposition of ground state absorption spectra shows contributions from B800 and B850 bacteriochlorophyll (BChl) a rings, the latter component splitting into a low energy and a high energy band in samples grown under low light (LL) conditions. A spectral analysis reveals strong inhomogeneity of the B850 excitons in the LL samples that is well reproduced by an exponential-type distribution. Transient spectra show a bleach of both the low energy and high energy bands, together with the respective blue-shifted exciton-to-biexciton transitions. The different spectral evolutions were analyzed by a global fitting procedure. Energy transfer from B800 to B850 occurs in a mono-exponential process and the rate of this process is only slightly reduced in LL compared to high light samples. In LL samples, spectral relaxation of the B850 exciton follows strongly nonexponential kinetics that can be described by a reduction of the bleach of the high energy excitonic component and a red-shift of the low energetic one. We explain these spectral changes by picosecond exciton relaxation caused by a small coupling parameter of the excitonic splitting of the BChl a molecules to the surrounding bath. The splitting of exciton energy into two excitonic bands in LL complex is most probably caused by heterogenous composition of LH2 apoproteins that gives some of the BChls in the B850 ring B820-like site energies, and causes a disorder in LH2 structure.

Molecular mobility of nematic E7 confined to molecular sieves with a low filling degree.

PubMed

Brás, A R; Frunza, S; Guerreiro, L; Fonseca, I M; Corma, A; Frunza, L; Dionísio, M; Schönhals, A

2010-06-14

The nematic liquid crystalline mixture E7 was confined with similar filling degrees to molecular sieves with constant composition but different pore diameters (from 2.8 to 6.8 nm). Fourier transform infrared analysis proved that the E7 molecules interact via the cyanogroup with the pore walls of the molecular sieves. The molecular dynamics of the system was investigated by broadband dielectric spectroscopy (10(-2)-10(9) Hz) covering a wide temperature range of approximately 200 K from temperatures well above the isotropic-nematic transition down to the glass transition of bulk E7. A variety of relaxation processes is observed including two modes that are located close to the bulk behavior in its temperature dependence. For all confined samples, two relaxation processes, at frequencies lower than the processes observed for the bulk, were detected. At lower temperatures, their relaxation rates have different temperature dependencies whereas at higher temperatures, they seem to collapse into one chart. The temperature dependence of the slowest process (S-process) obeys the Vogel-Fulcher-Tammann law indicating a glassy dynamics of the E7 molecules anchored to the pore surface. The pore size dependence of both the Vogel temperature and fragility revealed a steplike transition around 4 nm pore size, which indicates a transition from a strong to a fragile behavior. The process with a relaxation rate in between the bulklike and the S-process (I-process) shows no dependence on the pore size. The agreement of the I-process with the behavior of a 5CB surface layer adsorbed on nonporous silica leads to the assignment of E7 molecules anchored at the outer surface of the microcrystals of the molecular sieves.

Early-Time Excited-State Relaxation Dynamics of Iridium Compounds: Distinct Roles of Electron and Hole Transfer.

PubMed

Liu, Xiang-Yang; Zhang, Ya-Hui; Fang, Wei-Hai; Cui, Ganglong

2018-06-28

Excited-state and photophysical properties of Ir-containing complexes have been extensively studied because of their potential applications as organic light-emitting diode emitting materials. However, their early time excited-state relaxation dynamics are less explored computationally. Herein we have employed our recently implemented TDDFT-based generalized surface-hopping dynamics method to simulate excited-state relaxation dynamics of three Ir(III) compounds having distinct ligands. According to our multistate dynamics simulations including five excited singlet states i.e., S n ( n = 1-5) and ten excited triplet states, i.e., T n ( n = 1-10), we have found that the intersystem crossing (ISC) processes from the S n to T n are very efficient and ultrafast in these three Ir(III) compounds. The corresponding ISC rates are estimated to be 65, 81, and 140 fs, which are reasonably close to the experimentally measured ca. 80, 80, and 110 fs. In addition, the internal conversion (IC) processes within respective singlet and triplet manifolds are also ultrafast. These ultrafast IC and ISC processes are caused by large nonadiabatic and spin-orbit couplings, respectively, as well as small energy gaps. Importantly, although these Ir(III) complexes share similar macroscopic phenomena, i.e., ultrafast IC and ISC, their microscopic excited-state relaxation mechanism and dynamics are qualitatively distinct. Specifically, the dynamical behaviors of electron and hole and their roles are variational in modulating the excited-state relaxation dynamics of these Ir(III) compounds. In other words, the electronic properties of the ligands that are coordinated with the central Ir(III) atom play important roles in regulating the microscopic excited-state relaxation dynamics. These gained insights could be useful for rationally designing Ir(III) compounds with excellent photoluminescence.

Universal behavior of the osmotically compressed cell and its analogy to the colloidal glass transition

PubMed Central

Zhou, E. H.; Trepat, X.; Park, C. Y.; Lenormand, G.; Oliver, M. N.; Mijailovich, S. M.; Hardin, C.; Weitz, D. A.; Butler, J. P.; Fredberg, J. J.

2009-01-01

Mechanical robustness of the cell under different modes of stress and deformation is essential to its survival and function. Under tension, mechanical rigidity is provided by the cytoskeletal network; with increasing stress, this network stiffens, providing increased resistance to deformation. However, a cell must also resist compression, which will inevitably occur whenever cell volume is decreased during such biologically important processes as anhydrobiosis and apoptosis. Under compression, individual filaments can buckle, thereby reducing the stiffness and weakening the cytoskeletal network. However, the intracellular space is crowded with macromolecules and organelles that can resist compression. A simple picture describing their behavior is that of colloidal particles; colloids exhibit a sharp increase in viscosity with increasing volume fraction, ultimately undergoing a glass transition and becoming a solid. We investigate the consequences of these 2 competing effects and show that as a cell is compressed by hyperosmotic stress it becomes progressively more rigid. Although this stiffening behavior depends somewhat on cell type, starting conditions, molecular motors, and cytoskeletal contributions, its dependence on solid volume fraction is exponential in every instance. This universal behavior suggests that compression-induced weakening of the network is overwhelmed by crowding-induced stiffening of the cytoplasm. We also show that compression dramatically slows intracellular relaxation processes. The increase in stiffness, combined with the slowing of relaxation processes, is reminiscent of a glass transition of colloidal suspensions, but only when comprised of deformable particles. Our work provides a means to probe the physical nature of the cytoplasm under compression, and leads to results that are universal across cell type. PMID:19520830

Hall effect on a Merging Formation Process of a Field-Reversed Configuration

NASA Astrophysics Data System (ADS)

Kaminou, Yasuhiro; Guo, Xuehan; Inomoto, Michiaki; Ono, Yasushi; Horiuchi, Ritoku

2015-11-01

Counter-helicity spheromak merging is one of the formation methods of a Field-Reversed Configuration (FRC). In counter-helicity spheromak merging, two spheromaks with opposing toroidal fields merge together, through magnetic reconnection events and relax into a FRC, which has no or little toroidal field. This process contains magnetic reconnection and a relaxation phenomena, and the Hall effect has some essential effects on these process because the X-point in the magnetic reconnection or the O-point of the FRC has no or little magnetic field. However, the Hall effect as both global and local effect on counter-helicity spheromak merging has not been elucidated. In this poster, we conducted 2D/3D Hall-MHD simulations and experiments of counter-helicity spheromak merging. We find that the Hall effect enhances the reconnection rate, and reduces the generation of toroidal sheared-flow. The suppression of the ``slingshot effect'' affects the relaxation process. We will discuss details in the poster.

Dielectric Properties of Generation 3 Pamam Dendrimer Nanocomposites

NASA Astrophysics Data System (ADS)

Ristić, Sanja; Mijović, Jovan

2008-08-01

Broadband dielectric relaxation spectroscopy (DRS) was employed to study molecular dynamics of blends composed of generation 3 poly(amidoamine) (PAMAM) dendrimers with ethylenediamine core and amino surface groups and four linear polymers: poly(propylene oxide)—PPO, two block copolymers, poly(propylene oxide)/poly(ethylene oxide)—PPO/PEO with different mol ratios (29/6 and 10/31) and poly(ethylene oxide)—PEO. The results were generated over a broad range of frequency. Dielectric spectra of dendrimers in PPO matrix reveal slight shift of normal and segmental processes to higher frequency with increasing concentration of dendrimers. In the 29PPO/6PEO matrix, no effect of concentration on the average relaxation time for normal and segmental processes was observed. In the 10PPO/31PEO matrix the relaxation time of the segmental process increases with increasing dendrimer concentration, while in the PEO matrix, local processes in dendrimers slow down. A detailed analysis of the effect of concentration of dendrimers and morphology of polymer matrix on the dielectric properties of dendrimer nanocomposites will be presented.

Preliminary study of Alzheimer's Disease diagnosis based on brain electrical signals using wireless EEG

NASA Astrophysics Data System (ADS)

Handayani, N.; Akbar, Y.; Khotimah, S. N.; Haryanto, F.; Arif, I.; Taruno, W. P.

2016-03-01

This research aims to study brain's electrical signals recorded using EEG as a basis for the diagnosis of patients with Alzheimer's Disease (AD). The subjects consisted of patients with AD, and normal subjects are used as the control. Brain signals are recorded for 3 minutes in a relaxed condition and with eyes closed. The data is processed using power spectral analysis, brain mapping and chaos test to observe the level of complexity of EEG's data. The results show a shift in the power spectral in the low frequency band (delta and theta) in AD patients. The increase of delta and theta occurs in lobus frontal area and lobus parietal respectively. However, there is a decrease of alpha activity in AD patients where in the case of normal subjects with relaxed condition, brain alpha wave dominates the posterior area. This is confirmed by the results of brain mapping. While the results of chaos analysis show that the average value of MMLE is lower in AD patients than in normal subjects. The level of chaos associated with neural complexity in AD patients with lower neural complexity is due to neuronal damage caused by the beta amyloid plaques and tau protein in neurons.

Drift of charge carriers in crystalline organic semiconductors

NASA Astrophysics Data System (ADS)

Dong, Jingjuan; Si, Wei; Wu, Chang-Qin

2016-04-01

We investigate the direct-current response of crystalline organic semiconductors in the presence of finite external electric fields by the quantum-classical Ehrenfest dynamics complemented with instantaneous decoherence corrections (IDC). The IDC is carried out in the real-space representation with the energy-dependent reweighing factors to account for both intermolecular decoherence and energy relaxation by which conduction occurs. In this way, both the diffusion and drift motion of charge carriers are described in a unified framework. Based on an off-diagonal electron-phonon coupling model for pentacene, we find that the drift velocity initially increases with the electric field and then decreases at higher fields due to the Wannier-Stark localization, and a negative electric-field dependence of mobility is observed. The Einstein relation, which is a manifestation of the fluctuation-dissipation theorem, is found to be restored in electric fields up to ˜105 V/cm for a wide temperature region studied. Furthermore, we show that the incorporated decoherence and energy relaxation could explain the large discrepancy between the mobilities calculated by the Ehrenfest dynamics and the full quantum methods, which proves the effectiveness of our approach to take back these missing processes.

Drift of charge carriers in crystalline organic semiconductors.

PubMed

Dong, Jingjuan; Si, Wei; Wu, Chang-Qin

2016-04-14

We investigate the direct-current response of crystalline organic semiconductors in the presence of finite external electric fields by the quantum-classical Ehrenfest dynamics complemented with instantaneous decoherence corrections (IDC). The IDC is carried out in the real-space representation with the energy-dependent reweighing factors to account for both intermolecular decoherence and energy relaxation by which conduction occurs. In this way, both the diffusion and drift motion of charge carriers are described in a unified framework. Based on an off-diagonal electron-phonon coupling model for pentacene, we find that the drift velocity initially increases with the electric field and then decreases at higher fields due to the Wannier-Stark localization, and a negative electric-field dependence of mobility is observed. The Einstein relation, which is a manifestation of the fluctuation-dissipation theorem, is found to be restored in electric fields up to ∼10(5) V/cm for a wide temperature region studied. Furthermore, we show that the incorporated decoherence and energy relaxation could explain the large discrepancy between the mobilities calculated by the Ehrenfest dynamics and the full quantum methods, which proves the effectiveness of our approach to take back these missing processes.

Bacterially synthesized ferrite nanoparticles for magnetic hyperthermia applications.

PubMed

Céspedes, Eva; Byrne, James M; Farrow, Neil; Moise, Sandhya; Coker, Victoria S; Bencsik, Martin; Lloyd, Jonathan R; Telling, Neil D

2014-11-07

Magnetic hyperthermia uses AC stimulation of magnetic nanoparticles to generate heat for cancer cell destruction. Whilst nanoparticles produced inside magnetotactic bacteria have shown amongst the highest reported heating to date, these particles are magnetically blocked so that strong heating occurs only for mobile particles, unless magnetic field parameters are far outside clinical limits. Here, nanoparticles extracellularly produced by the bacteria Geobacter sulfurreducens are investigated that contain Co or Zn dopants to tune the magnetic anisotropy, saturation magnetization and nanoparticle sizes, enabling heating within clinical field constraints. The heating mechanisms specific to either Co or Zn doping are determined from frequency dependent specific absorption rate (SAR) measurements and innovative AC susceptometry simulations that use a realistic model concerning clusters of polydisperse nanoparticles in suspension. Whilst both particle types undergo magnetization relaxation and show heating effects in water under low AC frequency and field, only Zn doped particles maintain relaxation combined with hysteresis losses even when immobilized. This magnetic heating process could prove important in the biological environment where nanoparticle mobility may not be possible. Obtained SARs are discussed regarding clinical conditions which, together with their enhanced MRI contrast, indicate that biogenic Zn doped particles are promising for combined diagnostics and cancer therapy.

Photophysics of Ru(II)— and Os(II)—polypyridine complexes in poly(ethyleneoxide) matrices

NASA Astrophysics Data System (ADS)

Campagna, Sebastiano; Bartolotta, Antonino; Marco, Gaetano Di

1993-04-01

Photophysical properties of Ru(bpy) 32+, Ru(bpy) 2(biq) 2+, and Os(bpy) 32+ (bpy=2,2'-bipyridine; biq=2,2'-biquinoline) in poly(ethyleneoxide) matrices (PEO) constituted by (CH 2CH 2O) repeating units, with average molecular weight 400 (PEO-400, a highly viscous fluid) and 600000 dalton (PEO-600000, a semicrystalline solid) have been studied at room temperature and 77 K. Comparison with similar systems is made. The absorption spectra, luminescence spectra and lifetimes at room temperature of the three complexes in both matrices are in agreement with the typical features reported for the same complexes in fluid solutions, and indicate that fast excited state relaxation via solvent reorganization occurs in both PEO matrices at room temperature. Such behaviour is not usual for solid matrices and is attributed to the microheterogeneous nature of PEO-600000 and to the ability of the solid PEO amorphous region to stabilize polar species within the timescale of radiative relaxation. The results suggest that PEO-600000 is a promising medium for studying electron and energy transfer processes having mild driving forces in the solid state at room temperature.

Modelling of loading, stress relaxation and stress recovery in a shape memory polymer.

PubMed

Sweeney, J; Bonner, M; Ward, I M

2014-09-01

A multi-element constitutive model for a lactide-based shape memory polymer has been developed that represents loading to large tensile deformations, stress relaxation and stress recovery at 60, 65 and 70°C. The model consists of parallel Maxwell arms each comprising neo-Hookean and Eyring elements. Guiu-Pratt analysis of the stress relaxation curves yields Eyring parameters. When these parameters are used to define the Eyring process in a single Maxwell arm, the resulting model yields at too low a stress, but gives good predictions for longer times. Stress dip tests show a very stiff response on unloading by a small strain decrement. This would create an unrealistically high stress on loading to large strain if it were modelled by an elastic element. Instead it is modelled by an Eyring process operating via a flow rule that introduces strain hardening after yield. When this process is incorporated into a second parallel Maxwell arm, there results a model that fully represents both stress relaxation and stress dip tests at 60°C. At higher temperatures a third arm is required for valid predictions. Crown Copyright © 2014. Published by Elsevier Ltd. All rights reserved.

Nonequilibrium thermodynamics and information theory: basic concepts and relaxing dynamics

NASA Astrophysics Data System (ADS)

Altaner, Bernhard

2017-11-01

Thermodynamics is based on the notions of energy and entropy. While energy is the elementary quantity governing physical dynamics, entropy is the fundamental concept in information theory. In this work, starting from first principles, we give a detailed didactic account on the relations between energy and entropy and thus physics and information theory. We show that thermodynamic process inequalities, like the second law, are equivalent to the requirement that an effective description for physical dynamics is strongly relaxing. From the perspective of information theory, strongly relaxing dynamics govern the irreversible convergence of a statistical ensemble towards the maximally non-commital probability distribution that is compatible with thermodynamic equilibrium parameters. In particular, Markov processes that converge to a thermodynamic equilibrium state are strongly relaxing. Our framework generalizes previous results to arbitrary open and driven systems, yielding novel thermodynamic bounds for idealized and real processes. , which features invited work from the best early-career researchers working within the scope of J. Phys. A. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Bernhard Altaner was selected by the Editorial Board of J. Phys. A as an Emerging Talent.

Time scale bridging in atomistic simulation of slow dynamics: viscous relaxation and defect activation

NASA Astrophysics Data System (ADS)

Kushima, A.; Eapen, J.; Li, Ju; Yip, S.; Zhu, T.

2011-08-01

Atomistic simulation methods are known for timescale limitations in resolving slow dynamical processes. Two well-known scenarios of slow dynamics are viscous relaxation in supercooled liquids and creep deformation in stressed solids. In both phenomena the challenge to theory and simulation is to sample the transition state pathways efficiently and follow the dynamical processes on long timescales. We present a perspective based on the biased molecular simulation methods such as metadynamics, autonomous basin climbing (ABC), strain-boost and adaptive boost simulations. Such algorithms can enable an atomic-level explanation of the temperature variation of the shear viscosity of glassy liquids, and the relaxation behavior in solids undergoing creep deformation. By discussing the dynamics of slow relaxation in two quite different areas of condensed matter science, we hope to draw attention to other complex problems where anthropological or geological-scale time behavior can be simulated at atomic resolution and understood in terms of micro-scale processes of molecular rearrangements and collective interactions. As examples of a class of phenomena that can be broadly classified as materials ageing, we point to stress corrosion cracking and cement setting as opportunities for atomistic modeling and simulations.

ab initio calculation of the rate of vibrational relaxation and thermal dissociation of hydrogen by helium at high temperatures

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

Dove, J.E.; Raynor, S.

The master equation for the thermal dissociation of para-H/sub 2/ infinitely dilute in He, was solved for temperatures of 1000 to 10,000/sup 0/K. Transition probabilities, used in the master equation, were obtained, in the case of energy transfer transitions, from distorted wave and quasi-classical trajectory calculations and, for dissociative processes, from trajectory calculations alone. An ab initio potential was used. From the solution, values of the dissociation rate constant, vibrational relaxation times, and incubation times for dissociation and vibrational relaxation were calculated. The sensitivity of the calculated results to variations in the transition probabilities was examined. Vibrational relaxation is mostmore » sensitive to simultaneous transitions in vibration and rotation (VRT processes); pure rotational (RT) transitions also have a substantial effect. Dissociation is most strongly affected by RT processes, but changes in VRT and groups of dissociative transitions also have a significant effect. However complete suppression of all dissociative transitions except those from levels immediately next to the continuum lowers the dissociation rates only by a factor of about 2. The location of the dissociation ''bottleneck'' is discussed. 5 figures, 3 tables.« less

Dielectric characterization of neutralized and nonneutralized chitosan upon drying.

PubMed

Viciosa, M T; Dionísio, M; Mano, J F

2006-02-15

Isothermal dielectric loss spectra of neutralized and nonneutralized chitosan were acquired in successive runs from -130 degrees C up to increasing final temperatures, in a frequency range between 20 Hz and 1 MHz. Essentially, three relaxation processes were detected in the temperature range covered: (i) a beta-wet process, detected when the sample has a higher water content that vanishes after heating to 150 degrees C; (ii) a beta process, which is located at temperatures below 0 degrees C, becoming better defined and maintaining its location after annealing at 150 degrees C independently of the protonation state of the amino side group; and (iii) a sigma process that deviates to higher temperatures with drying, being more mobile in the nonneutralized form. Moreover, in dried neutralized chitosan, a fourth process was detected in the low frequency side of the secondary beta process that diminishes after annealing. Whether this process is a distinct relaxation of the dried polymer or a deviated beta-wet process due to the loss of water residues achieved by annealing is not straightforward. Only beta and sigma processes persist after annealing at 150 degrees C. The changes in molecular mobility upon drying of these two relaxation processes were evaluated. Copyright (c) 2005 Wiley Periodicals, Inc.

relaxGUI: a new software for fast and simple NMR relaxation data analysis and calculation of ps-ns and μs motion of proteins.

PubMed

Bieri, Michael; d'Auvergne, Edward J; Gooley, Paul R

2011-06-01

Investigation of protein dynamics on the ps-ns and μs-ms timeframes provides detailed insight into the mechanisms of enzymes and the binding properties of proteins. Nuclear magnetic resonance (NMR) is an excellent tool for studying protein dynamics at atomic resolution. Analysis of relaxation data using model-free analysis can be a tedious and time consuming process, which requires good knowledge of scripting procedures. The software relaxGUI was developed for fast and simple model-free analysis and is fully integrated into the software package relax. It is written in Python and uses wxPython to build the graphical user interface (GUI) for maximum performance and multi-platform use. This software allows the analysis of NMR relaxation data with ease and the generation of publication quality graphs as well as color coded images of molecular structures. The interface is designed for simple data analysis and management. The software was tested and validated against the command line version of relax.

Intrinsic and extrinsic relaxation of CaCu{sub 3}Ti{sub 4}O{sub 12} ceramics: Effect of sintering

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

Li, J. Y.; Zhao, X. T.; Li, S. T.

2010-11-15

The effect of sintering process on the electrical properties of CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) ceramic dielectrics were investigated in this paper. It was found that grain size is affected by sintering and the nonlinear current-voltage (I-V) property will decrease with the increased sintering time. Also, the frequency and temperature dependences of dielectric permittivity and loss in the ranges of 10{sup -1}-10{sup 7} Hz and 130-270 K were studied. Two relaxation processes with activation energy of 0.51 eV and 0.10 eV, respectively, were found in the frequency dependence of tan {delta} and Cole-Cole planes, which can be interpreted in termsmore » of insulating grain boundaries and semiconducting grains. It was suggested that grain boundary Maxwell-Wagner relaxation and ionization of oxygen vacancy V{sub O}{sup ++}, proposed as extrinsic and intrinsic relaxations, are responsible for the dielectric behaviors of CCTO ceramics.« less

Stability of (Fe-Tm-B) amorphous alloys: relaxation and crystallization phenomena

NASA Astrophysics Data System (ADS)

Zemčík, T.

1994-12-01

Fe-Tm-B base (TM=transition metal) amorphous alloys (metallic glasses) are thermodynamically metastable. This limits their use as otherwise favourable materials, e.g. magnetically soft, corrosion resistant and mechanically firm. By analogy of the mechanical strain-stress dependence, at a certain degree of thermal activation the amorphous structure reaches its limiting state where it changes its character and physical properties. Relaxation and early crystallization processes in amorphous alloys, starting already around 100°C, are reviewed involving subsequently stress relief, free volume shrinking, topological and chemical ordering, pre-crystallization phenomena up to partial (primary) crystallization. Two diametrically different examples are demonstrated from among the soft magnetic materials: relaxation and early crystallization processes in the Fe-Co-B metallic glasses and controlled crystallization of amorphous ribbons yielding rather modern nanocrystalline “Finemet” alloys where late relaxation and pre-crystallization phenomena overlap when forming extremely dispersive and fine-grained nanocrystals-in-amorphous-sauce structure. Mössbauer spectroscopy seems to be unique for magnetic and phase analysis of such complicated systems.

Strain relaxation in single crystal SrTiO3 grown on Si (001) by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Choi, Miri; Posadas, Agham; Dargis, Rytis; Shih, Chih-Kang; Demkov, Alexander A.; Triyoso, Dina H.; David Theodore, N.; Dubourdieu, Catherine; Bruley, John; Jordan-Sweet, Jean

2012-03-01

An epitaxial layer of SrTiO3 grown directly on Si may be used as a pseudo-substrate for the integration of perovskite oxides onto silicon. When SrTiO3 is initially grown on Si (001), it is nominally compressively strained. However, by subsequent annealing in oxygen at elevated temperature, an SiOx interlayer can be formed which alters the strain state of SrTiO3. We report a study of strain relaxation in SrTiO3 films grown on Si by molecular beam epitaxy as a function of annealing time and oxygen partial pressure. Using a combination of x-ray diffraction, reflection high energy electron diffraction, and transmission electron microscopy, we describe the process of interfacial oxidation and strain relaxation of SrTiO3 on Si (001). Understanding the process of strain relaxation of SrTiO3 on silicon will be useful for controlling the SrTiO3 lattice constant for lattice matching with functional oxide overlayers.

Interaction-induced decay of a heteronuclear two-atom system

PubMed Central

Xu, Peng; Yang, Jiaheng; Liu, Min; He, Xiaodong; Zeng, Yong; Wang, Kunpeng; Wang, Jin; Papoular, D. J.; Shlyapnikov, G. V.; Zhan, Mingsheng

2015-01-01

Two-atom systems in small traps are of fundamental interest for understanding the role of interactions in degenerate cold gases and for the creation of quantum gates in quantum information processing with single-atom traps. One of the key quantities is the inelastic relaxation (decay) time when one of the atoms or both are in a higher hyperfine state. Here we measure this quantity in a heteronuclear system of 87Rb and 85Rb in a micro optical trap and demonstrate experimentally and theoretically the presence of both fast and slow relaxation processes, depending on the choice of the initial hyperfine states. This experimental method allows us to single out a particular relaxation process thus provides an extremely clean platform for collisional physics studies. Our results have also implications for engineering of quantum states via controlled collisions and creation of two-qubit quantum gates. PMID:26199051

Nanoscopic length scale dependence of hydrogen bonded molecular associates’ dynamics in methanol

PubMed Central

Bertrand, C. E.; Self, J. L.; Copley, J. R. D.; Faraone, A.

2017-01-01

In a recent paper [C. E. Bertrand et al., J. Chem. Phys. 145, 014502 (2016)], we have shown that the collective dynamics of methanol shows a fast relaxation process related to the standard density-fluctuation heat mode and a slow non-Fickian mode originating from the hydrogen bonded molecular associates. Here we report on the length scale dependence of this slow relaxation process. Using quasielastic neutron scattering and molecular dynamics simulations, we show that the dynamics of the slow process is affected by the structuring of the associates, which is accessible through polarized neutron diffraction experiments. Using a series of partially deuterated samples, the dynamics of the associates is investigated and is found to have a similar time scale to the lifetime of hydrogen bonding in the system. Both the structural relaxation and the dynamics of the associates are thermally activated by the breaking of hydrogen bonding. PMID:28527447

Frequency-dependent acceleration of relaxation in mammalian heart: a property not relying on phospholamban and SERCA2a phosphorylation

PubMed Central

Valverde, Carlos A; Mundiña-Weilenmann, Cecilia; Said, Matilde; Ferrero, Paola; Vittone, Leticia; Salas, Margarita; Palomeque, Julieta; Petroff, Martín Vila; Mattiazzi, Alicia

2005-01-01

An increase in stimulation frequency causes an acceleration of myocardial relaxation (FDAR). Several mechanisms have been postulated to explain this effect, among which is the Ca2+–calmodulin-dependent protein kinase (CaMKII)-dependent phosphorylation of the Thr17 site of phospholamban (PLN). To gain further insights into the mechanisms of FDAR, we studied the FDAR and the phosphorylation of PLN residues in perfused rat hearts, cat papillary muscles and isolated cat myocytes. This allowed us to sweep over a wide range of frequencies, in species with either positive or negative force–frequency relationships, as well as to explore the FDAR under isometric (or isovolumic) and isotonic conditions. Results were compared with those produced by isoprenaline, an intervention known to accelerate relaxation (IDAR) via PLN phosphorylation. While IDAR occurs tightly associated with a significant increase in the phosphorylation of Ser16 and Thr17 of PLN, FDAR occurs without significant changes in the phosphorylation of PLN residues in the intact heart and cat papillary muscles. Moreover, in intact hearts, FDAR was not associated with any significant change in the CaMKII-dependent phosphorylation of sarcoplasmic/endoplasmic Ca2+ ATPase (SERCA2a), and was not affected by the presence of the CaMKII inhibitor, KN-93. In isolated myocytes, FDAR occurred associated with an increase in Thr17 phosphorylation. However, for a similar relaxant effect produced by isoprenaline, the phosphorylation of PLN (Ser16 and Thr17) was significantly higher in the presence of the β-agonist. Moreover, the time course of Thr17 phosphorylation was significantly delayed with respect to the onset of FDAR. In contrast, the time course of Ser16 phosphorylation, the first residue that becomes phosphorylated with isoprenaline, was temporally associated with IDAR. Furthermore, KN-93 significantly decreased the phosphorylation of Thr17 that was evoked by increasing the stimulation frequency, but failed to affect FDAR. Taken together, the results provide direct evidence indicating that CaMKII phosphorylation pathways are not involved in FDAR and that FDAR and IDAR do not share a common underlying mechanism. More likely, a CaMKII-independent mechanism could be involved, whereby increasing stimulation frequency would disrupt the SERCA2a–PLN interaction, leading to an increase in SR Ca2+ uptake and myocardial relaxation. PMID:15528241

Relaxation processes of the liquid crystal ME6N in the isotropic phase studied by Raman scattering experiments

NASA Astrophysics Data System (ADS)

Giorgini, Maria Grazia; Arcioni, Alberto; Polizzi, Ciro; Musso, Maurizio; Ottaviani, Paolo

2004-03-01

We have investigated the Raman profiles of the ν(C≡N) and ν(C=O) vibrational modes of the nematic liquid crystal ME6N (4-cyanophenyl-4'-hexylbenzoate) in the isotropic phase at different temperatures and used them as probes of the dynamics and structural organization of this liquid. The vibrational time correlation functions of the ν(C≡N) mode, rather adequately interpreted within the assumption of exponential modulation function (the Kubo-Rothschild theory), indicate that the system experiences an intermediate dynamical regime that gets only slightly faster with increasing temperature. However, this theory fails in predicting the non-exponential behavior that the time correlation functions manifest in the long time range (t>3 ps). For this reason we have additionally approached the interpretation of vibrational correlation functions in terms of the theory formulated by Rothschild and co-workers for locally structured liquids. The application of this theory reveals that the molecular dynamics in this liquid crystal in the isotropic phase is that deriving from a distribution of differently sized clusters, which narrows as the temperature increases. Even at the highest temperature reached in this study (87 °C above the nematic-isotropic transition), the liquid has not yet achieved the structure of the simple liquid and the dynamics has not reached the limit of the single channel process. The vibrational and orientational relaxations occur in very different time scales. The temperature independence of the orientational dynamics in the whole range from 55 °C to 135 °C has been referred to the nonhydrodynamic behavior of the system, arising when local pseudonematic structures persist for times longer than the orientational relaxation. The occurrence of the process of resonant vibrational energy transfer between the C=O groups of adjacent molecules has been revealed in the isotropic phase by a slightly positive Raman noncoincidence effect in the band associated with the ν(C=O) mode. A qualitative interpretation is tentatively given in terms of partial cancellation of contributions deriving from structures having opposite orientations of their C=O groups.

Postseismic deformation following the 2015 Mw 7.8 Gorkha earthquake and the distribution of brittle and ductile crustal processes beneath Nepal

NASA Astrophysics Data System (ADS)

Moore, J. D. P.; Barbot, S.; Peng, D.; Yu, H.; Qiu, Q.; Wang, T.; Masuti, S.; Dauwels, J.; Lindsey, E. O.; Tang, C. H.; Feng, L.; Wei, S.; Hsu, Y. J.; Nanjundiah, P.; Lambert, V.; Antoine, S.

2017-12-01

Studies of geodetic data across the earthquake cycle indicate that a wide range of mechanisms contribute to cycles of stress buildup and relaxation. Both on-fault rate and state friction and off-fault rheologies can contribute to the observed deformation; in particular, during the postseismic transient phase of the earthquake cycle. We present a novel approach to simulate on-fault and off-fault deformation simultaneously using analytical Green's functions for distributed deformation at depth [Barbot, Moore and Lambert., 2017] and surface tractions, within an integral framework [Lambert & Barbot, 2016]. This allows us to jointly explore dynamic frictional properties on the fault, and the plastic properties of the bulk rocks (including grain size and water distribution) in the lower crust with low computational cost, whilst taking into account contributions from topography and a surface approximation for gravity. These displacement and stress Green's functions can be used for both forward and inverse modelling of distributed shear, where the calculated strain-rates can be converted to effective viscosities. Here, we draw insight from the postseismic geodetic observations following the 2015 Mw 7.8 Gorkha earthquake. We forward model afterslip using rate and state friction on the megathrust geometry with the two ramp-décollement system presented by Hubbard et al., (2016) and viscoelastic relaxation using recent experimentally derived flow laws with transient rheology and the thermal structure from Cattin et al. (2001). Multivariate posterior probability density functions for model parameters are generated by incorporating the forward model evaluation and comparison to geodetic observations into a Gaussian copula framework. In particular, we find that no afterslip occurred on the up-dip portion of the fault beneath Kathmandu. A combination of viscoelastic relaxation and down-dip afterslip is required to fit the data, taking into account the bi-directional coupling between the two processes. Finally, the inclusion of topographic corrections can modify the modelled deformation field by around 10%. The postseismic deformation brings new insights into the distribution of brittle and ductile crustal processes beneath Nepal, with serious implications for future seismic hazard at Kathmandu.

Electroactive fluorinate-based polymers: Ferroelectric and dielectric properties

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

Yu Zhi; Chen Ang; Department of Physics and Department of Chemistry, University of Akron, Akron, Ohio 44325

2004-12-15

The dielectric, ferroelectric, and electroactive strain behavior of poly(vinylidene fluoride-trifluoroethylene) copolymers and poly(vinylidene fluoride-trifluoroethylene-chlorotrifluoroethylene) terpolymers is studied in a wide temperature and frequency range. The dielectric response from two dielectric polarization processes, modes A(A{sup '}) and B, and the dielectric-background contribution can be identified for these polymers by using the Cole-Cole plot method. Therefore physically reasonable parameters are obtained by fitting the relaxation time to the Vogel-Fulcher relation. On the other hand, the dielectric relaxation step and high strain decrease simultaneously with decreasing temperature; this indicates that the dielectric relaxation process and high strain behavior are strongly correlated. The electron-irradiationmore » effect in copolymers and the monomer effect in terpolymers are discussed.« less

Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling.

PubMed

Peters, William K; Couch, David E; Mignolet, Benoit; Shi, Xuetao; Nguyen, Quynh L; Fortenberry, Ryan C; Schlegel, H Bernhard; Remacle, Françoise; Kapteyn, Henry C; Murnane, Margaret M; Li, Wen

2017-12-26

Highly excited electronic states are challenging to explore experimentally and theoretically-due to the large density of states and the fact that small structural changes lead to large changes in electronic character with associated strong nonadiabatic dynamics. They can play a key role in astrophysical and ionospheric chemistry, as well as the detonation chemistry of high-energy density materials. Here, we implement ultrafast vacuum-UV (VUV)-driven electron-ion coincidence imaging spectroscopy to directly probe the reaction pathways of highly excited states of energetic molecules-in this case, methyl azide. Our data, combined with advanced theoretical simulations, show that photoexcitation of methyl azide by a 10-fs UV pulse at 8 eV drives fast structural changes and strong nonadiabatic coupling that leads to relaxation to other excited states on a surprisingly fast timescale of 25 fs. This ultrafast relaxation differs from dynamics occurring on lower excited states, where the timescale required for the wavepacket to reach a region of strong nonadiabatic coupling is typically much longer. Moreover, our theoretical calculations show that ultrafast relaxation of the wavepacket to a lower excited state occurs along one of the conical intersection seams before reaching the minimum energy conical intersection. These findings are important for understanding the unique strongly coupled non-Born-Oppenheimer molecular dynamics of VUV-excited energetic molecules. Although such observations have been predicted for many years, this study represents one of the few where such strongly coupled non-Born-Oppenheimer molecular dynamics of VUV-excited energetic molecules have been conclusively observed directly, making it possible to identify the ultrafast reaction pathways.

Evaluating the Uncertainty in Exchange Parameters Determined from Off-Resonance R1ρ Relaxation Dispersion for Systems in Fast Exchange

PubMed Central

Bothe, Jameson R.; Stein, Zachary W.; Al-Hashimi, Hashim M.

2014-01-01

Spin relaxation in the rotating frame (R1ρ) is a powerful NMR technique for characterizing fast microsecond timescale exchange processes directed toward short-lived excited states in biomolecules. At the limit of fast exchange, only kex = k1 + k−1 and Φıx = pGpE(Δω)2 can be determined from R1ρ data limiting the ability to characterize the structure and energetics of the excited state conformation. Here, we use simulations to examine the uncertainty with which exchange parameters can be determined for two state systems in intermediate-to-fast exchange using off-resonance R1ρ relaxation dispersion. R1ρ data computed by solving the Bloch-McConnell equations reveals small but significant asymmetry with respect to offset (R1ρ(ΔΩ) ≠ R1ρ(−ΔΩ)), which is a hallmark of slow-to-intermediate exchange, even under conditions of fast exchange for free precession chemical exchange line broadening (kex/Δω > 10). A grid search analysis combined with bootstrap and Monte-Carlo based statistical approaches for estimating uncertainty in exchange parameters reveals that both the sign and magnitude of Δω can be determined at a useful level of uncertainty for systems in fast exchange (kex/Δω < 10) but that this depends on the uncertainty in the R1ρ data and requires a thorough examination of the multidimensional variation of χ2 as a function of exchange parameters. Results from simulations are complemented by analysis of experimental R1ρ data measured in three nucleic acid systems with exchange processes occurring on the slow (kex/Δω = 0.2; pE = ~ 0.7%), fast (kex/Δω = ~10–16; pE = ~13%) and very fast (kex = 39,000 s−1) chemical shift timescales. PMID:24819426

Simultaneous acquisition of perfusion and permeability from corrected relaxation rates with dynamic susceptibility contrast dual gradient echo.

PubMed

Kim, Eun-Ju; Kim, Dae-Hong; Lee, Sang Hoon; Huh, Yong-Min; Song, Ho-Taek; Suh, Jin-Suck

2004-04-01

This study compared two methods, corrected (separation of T(1) and T(2)* effects) and uncorrected, in order to determine the suitability of the perfusion and permeability measures through Delta R(2)* and Delta R(1) analyses. A dynamic susceptibility contrast dual gradient echo (DSC-DGE) was used to image the fixed phantoms and flow phantoms (Sephadex perfusion phantoms and dialyzer phantom for the permeability measurements). The results confirmed that the corrected relaxation rate was linearly proportional to gadolinium-diethyltriamine pentaacetic acid (Gd-DTPA) concentration, whereas the uncorrected relaxation rate did not in the fixed phantom and simulation experiments. For the perfusion measurements, it was found that the correction process was necessary not only for the Delta R(1) time curve but also for the Delta R(2)* time curve analyses. Perfusion could not be measured without correcting the Delta R(2)* time curve. The water volume, which was expressed as the perfusion amount, was found to be closer to the theoretical value when using the corrected Delta R(1) curve in the calculations. However, this may occur in the low concentration of Gd-DTPA in tissue used in this study. For the permeability measurements based on the two-compartment model, the permeability factor (k(ev); e = extravascular, v = vascular) from the outside to the inside of the hollow fibers was greater in the corrected Delta R(1) method than in the uncorrected Delta R(1) method. The differences between the corrected and the uncorrected Delta R(1) values were confirmed by the simulation experiments. In conclusion, this study proposes that the correction for the relaxation rates, Delta R(2)* and Delta R(1), is indispensable in making accurate perfusion and permeability measurements, and that DSC-DGE is a useful method for obtaining information on perfusion and permeability, simultaneously.

Curved-line search algorithm for ab initio atomic structure relaxation

NASA Astrophysics Data System (ADS)

Chen, Zhanghui; Li, Jingbo; Li, Shushen; Wang, Lin-Wang

2017-09-01

Ab initio atomic relaxations often take large numbers of steps and long times to converge, especially when the initial atomic configurations are far from the local minimum or there are curved and narrow valleys in the multidimensional potentials. An atomic relaxation method based on on-the-flight force learning and a corresponding curved-line search algorithm is presented to accelerate this process. Results demonstrate the superior performance of this method for metal and magnetic clusters when compared with the conventional conjugate-gradient method.

Thermal Relaxation Processes and Stability in Poled Electro-Optic Polymers

DTIC Science & Technology

1994-06-30

34, Gordon Research Conference on Dielectric Phenomena, Holderness School, NH July 31-August 5, 1994. 2. K.D. Singer, R. Dureiko, J. Khaydarov , and R...Fuerst, "Relaxation in Poled Electro- optic Polymers", 4th Iketani Conference, Hawaii, May 17-20, 1994. 3. J.H. Andrews, J.D.V. Khaydarov , and K.D. Singer...Dureiko, J. Khaydarov , and R. Fuerst, "Relaxation Phenomena in Poled Electro-Optic Polymers", Proc. Mat. Res. Soc. 328, 499 (1994). 5. R.A. Fuerst, "Thermal

Percolation, sliding, localization and relaxation in topologically closed circuits

NASA Astrophysics Data System (ADS)

Hurowitz, Daniel; Cohen, Doron

2016-03-01

Considering a random walk in a random environment in a topologically closed circuit, we explore the implications of the percolation and sliding transitions for its relaxation modes. A complementary question regarding the “delocalization” of eigenstates of non-hermitian Hamiltonians has been addressed by Hatano, Nelson, and followers. But we show that for a conservative stochastic process the implied spectral properties are dramatically different. In particular we determine the threshold for under-damped relaxation, and observe “complexity saturation” as the bias is increased.

Interpreting the nonlinear dielectric response of glass-formers in terms of the coupling model

NASA Astrophysics Data System (ADS)

Ngai, K. L.

2015-03-01

Nonlinear dielectric measurements at high electric fields of glass-forming glycerol and propylene carbonate initially were carried out to elucidate the dynamic heterogeneous nature of the structural α-relaxation. Recently, the measurements were extended to sufficiently high frequencies to investigate the nonlinear dielectric response of faster processes including the so-called excess wing (EW), appearing as a second power law at high frequencies in the loss spectra of many glass formers without a resolved secondary relaxation. While a strong increase of dielectric constant and loss is found in the nonlinear dielectric response of the α-relaxation, there is a lack of significant change in the EW. A surprise to the experimentalists finding it, this difference in the nonlinear dielectric properties between the EW and the α-relaxation is explained in the framework of the coupling model by identifying the EW investigated with the nearly constant loss (NCL) of caged molecules, originating from the anharmonicity of the intermolecular potential. The NCL is terminated at longer times (lower frequencies) by the onset of the primitive relaxation, which is followed sequentially by relaxation processes involving increasing number of molecules until the terminal Kohlrausch α-relaxation is reached. These intermediate faster relaxations, combined to form the so-called Johari-Goldstein (JG) β-relaxation, are spatially and dynamically heterogeneous, and hence exhibit nonlinear dielectric effects, as found in glycerol and propylene carbonate, where the JG β-relaxation is not resolved and in D-sorbitol where it is resolved. Like the linear susceptibility, χ1(f), the frequency dispersion of the third-order dielectric susceptibility, χ3(f), was found to depend primarily on the α-relaxation time, and independent of temperature T and pressure P. I show this property of the frequency dispersions of χ1(f) and χ3(f) is the characteristic of the many-body relaxation dynamics of interacting systems which are governed solely by the intermolecular potential, and thermodynamic condition plays no role in this respect. Although linked to χ3(f), dynamic heterogeneity is one of the parallel consequences of the many-body dynamics, and it should not be considered as the principal control parameter for the other dynamic properties of glassforming systems. Results same as χ3(f) at elevated pressures had been obtained before by molecular dynamics simulations from the four-points correlation function and the intermediate scattering function. Naturally all properties obtained from the computer experiment, including dynamics heterogeneity, frequency dispersion, the relation between the α- and JG β-relaxation, and the breakdown of the Stokes-Einstein relation, are parallel consequences of the many-body relaxation dynamics governed by the intermolecular potential.

On relaxation nature of glass transition in amorphous materials

NASA Astrophysics Data System (ADS)

Sanditov, Damba S.; Ojovan, Michael I.

2017-10-01

A short review on relaxation theories of glass transition is presented. The main attention is paid to modern aspects of the glass transition equation qτg = C, suggested by Bartenev in 1951 (q - cooling rate of the melt, τg - structural relaxation time at the glass transition temperature Tg). This equation represents a criterion of structural relaxation at transition from liquid to glass at T = Tg (analogous to the condition of mechanical relaxation ωτ = 1, where the maximum of mechanical loss is observed). The empirical parameter С = δTg has the meaning of temperature range δTg that characterizes the liquid-glass transition. Different approaches of δTg calculation are reviewed. In the framework of the model of delocalized atoms a modified kinetic criterion of glass transition is proposed (q/Tg)τg = Cg, where Cg ≅ 7·10-3 is a practically universal dimensionless constant. It depends on fraction of fluctuation volume fg, which is frozen at the glass transition temperature Cg = fg/ln(1/fg). The value of fg is approximately constant fg ≅ 0.025. At Tg the process of atom delocalization, i.e. its displacement from the equilibrium position, is frozen. In silicate glasses atom delocalization is reduced to critical displacement of bridge oxygen atom in Si-O-Si bridge necessary to switch a valence bond according to Muller and Nemilov. An equation is derived for the temperature dependence of viscosity of glass-forming liquids in the wide temperature range, including the liquid-glass transition and the region of higher temperatures. Notion of (bridge) atom delocalization is developed, which is related to necessity of local low activation deformation of structural network for realization of elementary act of viscous flow - activated switch of a valence (bridge) bond. Without atom delocalization (;trigger mechanism;) a switch of the valence bond is impossible and, consequently, the viscous flow. Thus the freezing of atom delocalization process at low temperatures, around Tg, leads to the cease of the viscous flow and transition of a melt to a glassy state. This occurs when the energy of disordered lattice thermal vibrations averaged to one atom becomes equal or less than the energy of atom delocalization. The Bartenev equation for cooling rate dependence of glass transition temperature Tg = Tg(q) is discussed. The value of fg calculated from the data on the Tg(q) dependence coincides with result of the fg calculation using the data on viscosity near the glass transition. Derivation of the Bartenev equation with the account of temperature dependence of activation energy of glass transition process is considered. The obtained generalized relation describes the Tg(q) dependence in a wider interval of the cooling rate compared Bartenev equation. Experimental data related to standard cooling rate q = 3 K/min were used in this work.

Size dependence of 13C nuclear spin-lattice relaxation in micro- and nanodiamonds

NASA Astrophysics Data System (ADS)

Panich, A. M.; Sergeev, N. A.; Shames, A. I.; Osipov, V. Yu; Boudou, J.-P.; Goren, S. D.

2015-02-01

Size dependence of physical properties of nanodiamond particles is of crucial importance for various applications in which defect density and location as well as relaxation processes play a significant role. In this work, the impact of defects induced by milling of micron-sized synthetic diamonds was studied by magnetic resonance techniques as a function of the particle size. EPR and 13C NMR studies of highly purified commercial synthetic micro- and nanodiamonds were done for various fractions separated by sizes. Noticeable acceleration of 13C nuclear spin-lattice relaxation with decreasing particle size was found. We showed that this effect is caused by the contribution to relaxation coming from the surface paramagnetic centers induced by sample milling. The developed theory of the spin-lattice relaxation for such a case shows good compliance with the experiment.

Essentials of Suggestopedia: A Primer for Practitioners.

ERIC Educational Resources Information Center

Caskey, Owen L.; Flake, Muriel H.

Suggestology is the scientific study of the psychology of suggestion and Suggestopedia in the application of relaxation and suggestion techniques to learning. The approach applied to learning processes (called Suggestopedic) developed by Dr. Georgi Lozanov (called the Lozanov Method) utilizes mental and physical relaxation, deep breathing,…

Accelerated iteration schemes for transonic flow calculations using fast poisson solvers. [aerodynamics

NASA Technical Reports Server (NTRS)

Jameson, A.

1975-01-01

The use of a fast elliptic solver in combination with relaxation is presented as an effective way to accelerate the convergence of transonic flow calculations, particularly when a marching scheme can be used to treat the supersonic zone in the relaxation process.

Ultrafast dynamics of liquid water: Energy relaxation and transfer processes of the OH stretch and the HOH bend

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

Imoto, Sho; Xantheas, Sotiris S.; Saito, Shinji

2015-08-27

The vibrational energy relaxation and transfer processes of the OH stretching and the HOH bending vibrations in liquid water are investigated via the theoretical calculation of the pump-probe spectra obtained from non-equilibrium molecular dynamics simulations with the TTM3-F interaction potential. The excitation of the OH stretch induces an instantaneous response of the high frequency librational motions in the 600-1000 cm-1 range. In addition, the excess energy of the OH stretch of a water molecule quickly transfers to the OH stretches of molecules in its first hydration shell with a time constant of ~50 fs, followed by relaxation to the HOHmore » bends of the surrounding molecules with a time constant of 230 fs. The excitation of the HOH bend also results in the ultrafast excitation of the high frequency librational motions. The energy of the excited HOH bend of a water molecule decays, with a time constant of 200 fs, mainly to the relaxation of the HOH bends of its surrounding molecules. The energies of the HOH bends were found to transfer quickly to the intermolecular motions via the coupling with the high frequency librational motions. The excess energy of the OH stretch or the HOH bend relaxes to the high frequency intermolecular librational motions and eventually to the hot ground state with a time scale of ~1 ps via the coupling with the librational and translational motions. The energy relaxation and transfer processes were found to depend on the local hydrogen bonding network; the relaxations of the excess energy of the OH stretch and the HOH bend of four- and five-coordinated molecules are faster than those of a three-coordinated molecule due to the delocalization of the vibrational motions of the former (four- and five-coordinated molecules) compared to those of the later (three-coordinated molecules). The present results highlight the importance of the high frequency intermolecular librational modes in facilitating the ultrafast energy relaxation process in liquid water via their strong nonlinear couplings with the intramolecular OH stretching and HOH bending vibrations. S.S.X. acknowledges the support of the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. The calculation was carried out using the computing resources at the Research Center for Computational Science in Okazaki, Japan.« less

NMR Investigation of Chloromethane Complexes of Cryptophane-A and Its Analogue with Butoxy Groups

PubMed Central

2014-01-01

Host–guest complexes between cryptophane-A as host and dichloromethane and chloroform as guests are investigated using 1H and 13C NMR spectroscopy. Moreover, a related cryptophane, with the methoxy groups replaced by butoxy units (cryptophane-But), and its complexes with the same guests were also studied. Variable temperature spectra showed effects of chemical exchange between the free and bound guests, as well as of conformational exchange of the host. The guest exchange was studied quantitatively by exchange spectroscopy or line shape analysis. Extraction of kinetic and thermodynamic parameters led to the characterization of the affinity between guests and hosts. On the other hand, the host exchange was investigated by means of 13C Carr–Purcell–Meiboom–Gill (CPMG) relaxation dispersion which aims at the determination of the transverse relaxation rate R2, the inverse of the transverse relaxation time T2, as a function of the repetition of the π pulses in a CPMG train. The variation of the measured transverse relaxation rate with the repetition rate νCPMG indicated conformational exchange occurring on the microsecond–millisecond time scale. Structural information was obtained through measurements of cross-relaxation rates, both within the host and between the host and the guest protons. The NMR results were supported by DFT calculations. PMID:24472055

Formation and Sustainment of Flipped Spherical Torus Plasmas on HIST

NASA Astrophysics Data System (ADS)

Oguro, T.; Jinno, T.; Hasegawa, H.; Nagata, M.; Fukumoto, N.; Uyama, T.; Masamune, S.; Iida, M.; Katsurai, M.

2002-11-01

In order to understand comprehensively the relaxation and self-organization in the coaxial helicity injection system, we have investigated dynamics of ST plasmas produced in the HIST device by decreasing the external toroidal field (TF) and reversing its sign in time. In results, we have discovered that the ST relaxes towards flipped/reversed ST configurations. Surprisingly, it has been observed that not only toroidal flux but also poloidal flux reverses sign spontaneously during the relaxation process. This self-reversal of the poloidal field is thought to be evidence for global helicity conservation. Taylor helicity-driven relaxed theory predicts that there exists the relaxed state of the flipped ST plasma when the TF current is reversed. We found that when q_axis passes through the q_axis =1 rational barrier in the initial phase, the ST plasma becomes unstable and relaxes to flipped states through RFP states. The n=1 mode activities are essential in the formation and sustainment of the flipped ST.

High pressure study on molecular mobility of leucrose

NASA Astrophysics Data System (ADS)

Kaminski, K.; Kaminska, E.; Hensel-Bielowka, S.; Pawlus, S.; Paluch, M.; Ziolo, J.

2008-08-01

Broadband dielectric measurements on leucrose were performed under ambient and high pressure. We showed that in this disaccharide, there are two secondary relaxation modes, a slower one sensitive to pressure and a faster one that is not. This finding clearly indicates that the faster secondary relaxation originates from the intramolecular motion. This conclusion contradicted previous interpretations of this mode observed for trehalose and maltitol, systems very closely related to leucrose. In addition, pressure sensitivity of the slower relaxation confirms our recent interpretation about the character of this process. Furthermore, we discovered that unlike the faster relaxation, the slower secondary relaxation is sensitive to the thermodynamic history of measurements. Finally, monitoring the changes in maximum loss of the slower secondary relaxation measured at the same pressure and temperature conditions for glasses obtained via different thermodynamic routes enabled us to draw a conclusion about the density of the formed glasses. Our observations may be helpful in establishing a new method of suppressing crystallization of amorphous drugs.

Thermally induced magnetic relaxation in square artificial spin ice.

PubMed

Andersson, M S; Pappas, S D; Stopfel, H; Östman, E; Stein, A; Nordblad, P; Mathieu, R; Hjörvarsson, B; Kapaklis, V

2016-11-24

The properties of natural and artificial assemblies of interacting elements, ranging from Quarks to Galaxies, are at the heart of Physics. The collective response and dynamics of such assemblies are dictated by the intrinsic dynamical properties of the building blocks, the nature of their interactions and topological constraints. Here we report on the relaxation dynamics of the magnetization of artificial assemblies of mesoscopic spins. In our model nano-magnetic system - square artificial spin ice - we are able to control the geometrical arrangement and interaction strength between the magnetically interacting building blocks by means of nano-lithography. Using time resolved magnetometry we show that the relaxation process can be described using the Kohlrausch law and that the extracted temperature dependent relaxation times of the assemblies follow the Vogel-Fulcher law. The results provide insight into the relaxation dynamics of mesoscopic nano-magnetic model systems, with adjustable energy and time scales, and demonstrates that these can serve as an ideal playground for the studies of collective dynamics and relaxations.

Thermally induced magnetic relaxation in square artificial spin ice

NASA Astrophysics Data System (ADS)

Andersson, M. S.; Pappas, S. D.; Stopfel, H.; Östman, E.; Stein, A.; Nordblad, P.; Mathieu, R.; Hjörvarsson, B.; Kapaklis, V.

2016-11-01

The properties of natural and artificial assemblies of interacting elements, ranging from Quarks to Galaxies, are at the heart of Physics. The collective response and dynamics of such assemblies are dictated by the intrinsic dynamical properties of the building blocks, the nature of their interactions and topological constraints. Here we report on the relaxation dynamics of the magnetization of artificial assemblies of mesoscopic spins. In our model nano-magnetic system - square artificial spin ice - we are able to control the geometrical arrangement and interaction strength between the magnetically interacting building blocks by means of nano-lithography. Using time resolved magnetometry we show that the relaxation process can be described using the Kohlrausch law and that the extracted temperature dependent relaxation times of the assemblies follow the Vogel-Fulcher law. The results provide insight into the relaxation dynamics of mesoscopic nano-magnetic model systems, with adjustable energy and time scales, and demonstrates that these can serve as an ideal playground for the studies of collective dynamics and relaxations.

Slow relaxation of cascade-induced defects in Fe

DOE PAGES

Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.; ...

2015-02-17

On-the-fly kinetic Monte Carlo (KMC) simulations are performed to investigate slow relaxation of non-equilibrium systems. Point defects induced by 25 keV cascades in α -Fe are shown to lead to a characteristic time-evolution, described by the replenish and relax mechanism. Then, we produce an atomistically-based assessment of models proposed to explain the slow structural relaxation by focusing on the aggregation of 50 vacancies and 25 self-interstital atoms (SIA) in 10-lattice-parameter α-Fe boxes, two processes that are closely related to cascade annealing and exhibit similar time signature. Four atomistic effects explain the timescales involved in the evolution: defect concentration heterogeneities, concentration-enhancedmore » mobility, cluster-size dependent bond energies and defect-induced pressure. In conclusion, these findings suggest that the two main classes of models to explain slow structural relaxation, the Eyring model and the Gibbs model, both play a role to limit the rate of relaxation of these simple point-defect systems.« less

Relaxation of Vibrationally Excited States in Solid Binary Carbonate-Sulfate Systems

NASA Astrophysics Data System (ADS)

Aliev, A. R.; Akhmedov, I. R.; Kakagasanov, M. G.; Aliev, Z. A.; Gafurov, M. M.; Rabadanov, K. Sh.; Amirov, A. M.

2018-02-01

The processes of molecular relaxation in solid binary carbonate-sulfate systems, such as Li2CO3-Li2SO4, Na2CO3-Na2SO4, K2CO3-K2SO4, have been studied by Raman spectroscopy. It has been revealed that the relaxation time of CO 3 2- anion vibration ν1(A) in a binary system is higher than in an individual carbonate. It is shown that an increase in the relaxation rate may be explained by the existence of an additional mechanism of the relaxation of vibrationally excited states of a carbonate anion. This mechanism is associated with the excitation of the vibration of another anion (SO 4 2- ) and the "birth" of a lattice phonon. It has been established that the condition for the implementation of such a relaxation mechanism is that the difference between the frequencies of these vibrations must correspond to the region of a rather high density of phonon spectrum states.

Engineering and Scaling the Spontaneous Magnetization Reversal of Faraday Induced Magnetic Relaxation in Nano-Sized Amorphous Ni Coated on Crystalline Au.

PubMed

Li, Wen-Hsien; Lee, Chi-Hung; Kuo, Chen-Chen

2016-05-28

We report on the generation of large inverse remanent magnetizations in nano-sized core/shell structure of Au/Ni by turning off the applied magnetic field. The remanent magnetization is very sensitive to the field reduction rate as well as to the thermal and field processes before the switching off of the magnetic field. Spontaneous reversal in direction and increase in magnitude of the remanent magnetization in subsequent relaxations over time were found. All of the various types of temporal relaxation curves of the remanent magnetizations are successfully scaled by a stretched exponential decay profile, characterized by two pairs of relaxation times and dynamic exponents. The relaxation time is used to describe the reduction rate, while the dynamic exponent describes the dynamical slowing down of the relaxation through time evolution. The key to these effects is to have the induced eddy current running beneath the amorphous Ni shells through Faraday induction.

Service Lifetime Estimation of EPDM Rubber Based on Accelerated Aging Tests

NASA Astrophysics Data System (ADS)

Liu, Jie; Li, Xiangbo; Xu, Likun; He, Tao

2017-04-01

Service lifetime of ethylene propylene diene monomer (EPDM) rubber at room temperature (25 °C) was estimated based on accelerated aging tests. The study followed sealing stress loss on compressed cylinder samples by compression stress relaxation methods. The results showed that the cylinder samples of EPDM can quickly reach the physical relaxation equilibrium by using the over-compression method. The non-Arrhenius behavior occurred at the lowest aging temperature. A significant linear relationship was observed between compression set values and normalized stress decay results, and the relationship was not related to the ambient temperature of aging. It was estimated that the sealing stress loss in view of practical application would occur after around 86.8 years at 25 °C. The estimations at 25 °C based on the non-Arrhenius behavior were in agreement with compression set data from storage aging tests in natural environment.

Contribution of counterions and degree of ionization for birefringence creation and relaxation kinetics parameters of PAH/PAZO films

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

Raposo, Maria, E-mail: mfr@fct.unl.pt; Monteiro Timóteo, Ana Rita; Ribeiro, Paulo A.

2015-09-21

Photo induced birefringent materials can be used to develop optical and conversion energy devices, and consequently, the study of the variables that influences the creation and relaxation of birefringence should be carefully analyzed. In this work, the parameters of birefringence creation and relaxation kinetics curves obtained on layer-by-layer (LBL) films, prepared from azo-polyectrolyte poly[1-[4-(3-carboxy-4 hydroxyphenylazo) benzene sulfonamido]-1,2-ethanediyl, sodium salt] (PAZO) and poly(allylamine hydrochloride)(PAH), are related with the presence of counterions and the degree of ionization of the polyelectrolytes. Those kinetics curves obtained on PAH/PAZO LBL films, prepared from PAH solutions with different pHs and maintaining the pH of PAZO solutionmore » constant at pH = 9, were analyzed taking into account the films composition which was characterized by X-ray photoelectron spectroscopy. The creation and relaxation birefringence curves are justified by two processes: one associated to local mobility of the azobenzene with a characteristic time 30 s and intensity constant and other associated with polymeric chains mobility with the characteristic time and intensity decreasing with pH. These results allow us to conclude that the birefringence creation process, associated to local mobility of azobenzenes is independent of the degree of ionization and of number of counterions or co-ions present while the birefringence creation process associated to mobility of chains have its characteristic time and intensity dependent of both degree of ionization and number of counterions. The birefringence relaxation processes are dependent of the degree of ionization. The analysis of the films composition revealed, in addition, the presence of a protonated secondary or tertiary amine revealing that PAZO may have positive charges and consequently a zwitterionic behavior.« less

Reducing Relaxation of Hyperpolarized ^129 Xe during Cryogenic Separation

NASA Astrophysics Data System (ADS)

Patton, B.; Kuzma, N. N.; Happer, W.

2004-05-01

Recent experimental results^1 indicate that the T1 relaxation time of solid ^129Xe is much shorter than previous models had predicted^2 near the xenon melting point of 161 K and at low magnetic fields. This enhanced relaxation is detrimental to commercial xenon polarizers, which cryogenically distill hyperpolarized ^129Xe from a buffer gas mixture. We have measured the fraction of xenon polarization lost during a typical cryogenic collection, using different permanent magnets to vary the holding field from 700 gauss to over a tesla. The results indicate that using a stronger permanent magnet around the cryo-trap is a simple way to increase the final polarization of the pure xenon gas. An additional experiment was conducted in order to determine whether the majority of the xenon relaxation occurs throughout accumulation (possibly as a result of temperature inhomogeneities within the frozen sample) or during the brief thawing time. In pinpointing the polarization loss, this research may suggest new designs for xenon polarizers. 1. Kuzma et al., Phys. Rev. Lett. 88, 147602 (2002). 2. Fitzgerald et al., Phys. Rev. B 59, 8795 (1999).

An Inhibitory Innervation at the Gastroduodenal Junction

PubMed Central

Anuras, Sinn; Cooke, Allan R.; Christensen, James

1974-01-01

Transverse muscle strips, 2-mm wide, were cut serially from the gastroduodenal junction in opossums, cats, dogs, and man. Electrical field stimulation with trains of rectangular current pulses of 0.5 ms in all opossums, all cats, some dogs, and the one human specimen induced relaxation in strips from the thickened circular muscle proximal to the mucosal junction. In some opossums weak relaxations also occurred in the first few strips below the mucosal junction. All other strips contracted or showed no response. This relaxation in opossums was abolished by tetrodotoxin but was not affected by antagonists to adrenergic and cholinergic transmission, nor by tripelennamine, methysergide, pentagastrin, secretin, cerulein, or cholecystokinin. Optimal frequency for stimulus-relaxation was 12 Hz. Chronaxie was 0.85 ms. The junctional strips also showed greater resistances to stretch than those remote from the junction. With apparent species variations, the junctional muscle possesses a nonadrenergic inhibitory innervation which is either absent or unexpressed in adjacent muscle of stomach and duodenum. This suggests the existence of a distinctive inhibitory neural control mechanism for pyloric muscle. Images PMID:4152775

Understanding generalized inversions of nuclear magnetic resonance transverse relaxation time in porous media

NASA Astrophysics Data System (ADS)

Mitchell, J.; Chandrasekera, T. C.

2014-12-01

The nuclear magnetic resonance transverse relaxation time T2, measured using the Carr-Purcell-Meiboom-Gill (CPMG) experiment, is a powerful method for obtaining unique information on liquids confined in porous media. Furthermore, T2 provides structural information on the porous material itself and has many applications in petrophysics, biophysics, and chemical engineering. Robust interpretation of T2 distributions demands appropriate processing of the measured data since T2 is influenced by diffusion through magnetic field inhomogeneities occurring at the pore scale, caused by the liquid/solid susceptibility contrast. Previously, we introduced a generic model for the diffusion exponent of the form -ant_e^k (where n is the number and te the temporal separation of spin echoes, and a is a composite diffusion parameter) in order to distinguish the influence of relaxation and diffusion in CPMG data. Here, we improve the analysis by introducing an automatic search for the optimum power k that best describes the diffusion behavior. This automated method is more efficient than the manual trial-and-error grid search adopted previously, and avoids variability through subjective judgments of experimentalists. Although our method does not avoid the inherent assumption that the diffusion exponent depends on a single k value, we show through simulation and experiment that it is robust in measurements of heterogeneous systems that violate this assumption. In this way, we obtain quantitative T2 distributions from complicated porous structures and demonstrate the analysis with examples of ceramics used for filtration and catalysis, and limestone of relevance to the construction and petroleum industries.

Photoluminescence Dynamics of Aryl sp 3 Defect States in Single-Walled Carbon Nanotubes

DOE PAGES

Hartmann, Nicolai F.; Velizhanin, Kirill A.; Haroz, Erik H.; ...

2016-08-16

Photoluminescent defect states introduced by sp 3 functionalization of semiconducting carbon nanotubes are rapidly emerging as important routes for boosting emission quantum yields and introducing new functionality. Knowledge of the relaxation dynamics of these states is required for understanding how functionalizing agents (molecular dopants) may be designed to access specific behaviors. We measure photoluminescence (PL) decay dynamics of sp 3 defect states introduced by aryl functionalization of the carbon nanotube surface. Results are given for five different nanotube chiralities, each doped with a range of aryl functionality. We find the PL decays of these sp 3 defect states are biexponential,more » with both components relaxing on timescales of ~ 100 ps. Exciton trapping at defects is found to increases PL lifetimes by a factor of 5-10, in comparison to those for the free exciton. A significant chirality dependence is observed in the decay times, ranging from 77 ps for (7,5) nanotubes to > 600 ps for (5,4) structures. The strong correlation of time constants with emission energy indicates relaxation occurs via multiphonon decay processes, with close agreement to theoretical expectations. Variation of the aryl dopant further modulates decay times by 10-15%. The aryl defects also affect PL lifetimes of the free E 11 exciton. Shortening of the E 11 bright state lifetime as defect density increases provides further confirmation that defects act as exciton traps. A similar shortening of the E11 dark exciton lifetime is found as defect density increases, providing strong experimental evidence that dark excitons are also trapped at such defect sites.« less

Photoluminescence Dynamics of Aryl sp 3 Defect States in Single-Walled Carbon Nanotubes

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

Hartmann, Nicolai F.; Velizhanin, Kirill A.; Haroz, Erik H.

Photoluminescent defect states introduced by sp 3 functionalization of semiconducting carbon nanotubes are rapidly emerging as important routes for boosting emission quantum yields and introducing new functionality. Knowledge of the relaxation dynamics of these states is required for understanding how functionalizing agents (molecular dopants) may be designed to access specific behaviors. We measure photoluminescence (PL) decay dynamics of sp 3 defect states introduced by aryl functionalization of the carbon nanotube surface. Results are given for five different nanotube chiralities, each doped with a range of aryl functionality. We find the PL decays of these sp 3 defect states are biexponential,more » with both components relaxing on timescales of ~ 100 ps. Exciton trapping at defects is found to increases PL lifetimes by a factor of 5-10, in comparison to those for the free exciton. A significant chirality dependence is observed in the decay times, ranging from 77 ps for (7,5) nanotubes to > 600 ps for (5,4) structures. The strong correlation of time constants with emission energy indicates relaxation occurs via multiphonon decay processes, with close agreement to theoretical expectations. Variation of the aryl dopant further modulates decay times by 10-15%. The aryl defects also affect PL lifetimes of the free E 11 exciton. Shortening of the E 11 bright state lifetime as defect density increases provides further confirmation that defects act as exciton traps. A similar shortening of the E11 dark exciton lifetime is found as defect density increases, providing strong experimental evidence that dark excitons are also trapped at such defect sites.« less

Atomic and molecular data for spacecraft re-entry plasmas

NASA Astrophysics Data System (ADS)

Celiberto, R.; Armenise, I.; Cacciatore, M.; Capitelli, M.; Esposito, F.; Gamallo, P.; Janev, R. K.; Laganà, A.; Laporta, V.; Laricchiuta, A.; Lombardi, A.; Rutigliano, M.; Sayós, R.; Tennyson, J.; Wadehra, J. M.

2016-06-01

The modeling of atmospheric gas, interacting with the space vehicles in re-entry conditions in planetary exploration missions, requires a large set of scattering data for all those elementary processes occurring in the system. A fundamental aspect of re-entry problems is represented by the strong non-equilibrium conditions met in the atmospheric plasma close to the surface of the thermal shield, where numerous interconnected relaxation processes determine the evolution of the gaseous system towards equilibrium conditions. A central role is played by the vibrational exchanges of energy, so that collisional processes involving vibrationally excited molecules assume a particular importance. In the present paper, theoretical calculations of complete sets of vibrationally state-resolved cross sections and rate coefficients are reviewed, focusing on the relevant classes of collisional processes: resonant and non-resonant electron-impact excitation of molecules, atom-diatom and molecule-molecule collisions as well as gas-surface interaction. In particular, collisional processes involving atomic and molecular species, relevant to Earth (N2, O2, NO), Mars (CO2, CO, N2) and Jupiter (H2, He) atmospheres are considered.

Contrasting patterns of vesiculation in low, intermediate, and high Hawaiian fountains: A case study of the 1969 Mauna Ulu eruption

USGS Publications Warehouse

Parcheta, Carolyn E.; Houghton, Bruce F.; Swanson, Donald A.

2013-01-01

Hawaiian-style eruptions, or Hawaiian fountains, typically occur at basaltic volcanoes and are sustained, weakly explosive jets of gas and dominantly coarse, juvenile ejecta (dense spatter to delicate reticulite). Almost the entire range of styles and mass eruption rates within Hawaiian fountaining occurred during twelve fountaining episodes recorded at Mauna Ulu, Kīlauea between May and December 1969. Such diversity in intensity and style is controlled during magma ascent by many processes that can be constrained by the size and shape of vesicles in the 1969 pyroclasts. This paper describes pyroclast vesicularity from high, intermediate, and low fountaining episodes with eruption rates from 0.05 to 1.3 × 106 m3 h− 1. As each eruptive episode progressed, magma ascent slowed in and around the vent system, offering extended time for bubbles to grow and coalesce. Late ejected pyroclasts are thus characterized by populations of fewer and larger vesicles with relaxed shapes. This progression continued in the intervals between episodes after termination of fountain activity. The time scale for this process of shallow growth, coalescence and relaxation of bubbles is typically tens of hours. Rims and cores of pumiceous pyroclasts from moderate to high fountaining episodes record a second post-fragmentation form of vesicle maturation. Partially thermally insulated pyroclasts can have internal bubble populations evolve more dynamically with continued growth and coalescence, on a time scale of only minutes, during transport in the fountains. Reticulite, which formed in a short-lived fountain 540 m in height, underwent late, short-lived bubble nucleation followed by rapid growth of a uniform bubble population in a thermally insulated fountain, and quenched at the onset of permeability before significant coalescence. These contrasting patterns of shallow degassing and outgassing were the dominant controls in determining both the form and duration of fountaining episodes at Mauna Ulu, and probably for many other Hawaiian-style eruptions.

Acoustic and relaxation behaviors of polydimethylsiloxane studied by using brillouin and dielectric spectroscopies

NASA Astrophysics Data System (ADS)

Lee, Byoung Wan; Ko, Jae-Hyeon; Park, Jaehoon; Shin, Dong-Myeong; Hwang, Yoon-Hwae

2016-04-01

The temperature dependences of the acoustic properties and the dielectric relaxation times of polydimethylsiloxane were investigated by using high-resolution Brillouin and broadband dielectric spectroscopies. The longitudinal sound velocity showed a large increase upon approaching the glass transition temperature while the acoustic absorption coefficient exhibited a maximum at ~263 K. Comparison of these results with previous ultrasonic data revealed a substantial frequency dispersion of the acoustic properties of this silicone-based elastomer. The relaxation times derived from the acoustic absorption peaks were consistent with the temperature dependence of the dielectric relaxation time of the structural a process, indicating a strong coupling between the acoustic waves and the segmental motions of the main chains.

Relationship between relaxation by guided imagery and performance of working memory.

PubMed

Hudetz, J A; Hudetz, A G; Klayman, J

2000-02-01

This study tested the hypothesis that relaxation by guided imagery improves working-memory performance of healthy participants. 30 volunteers (both sexes, ages 17-56 years) were randomly assigned to one of three groups and administered the WAIS-III Letter-Number Sequencing Test before and after 10-min. treatment with guided imagery or popular music. The control group received no treatment. Groups' test scores were not different before treatment. The mean increased after relaxation by guided imagery but not after music or no treatment. This result supports the hypothesis that working-memory scores on the test are enhanced by guided imagery and implies that human information processing may be enhanced by prior relaxation.

Transport limited interfacial carrier relaxation in a double-layer device investigated by time-resolved second harmonic generation and impedance spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Le; Taguchi, Dai; Li, Jun; Manaka, Takaaki; Iwamoto, Mitsumasa

2011-02-01

The interfacial carrier relaxation in an indium tin oxide/polyimide/pentacene/Au double-layer device was studied in both time and frequency domains by using time-resolved second harmonic generation (TR-SHG) and impedance spectroscopy (IS), respectively. Although both hole and electron injection into the pentacene layer and their accumulation at the pentacene/polyimide interface were revealed in TR-SHG, it was only observed in IS under the hole injection condition. The "contradiction" between the two methods for the same carrier relaxation process was explained on the basis of a model, transport limited interfacial carrier relaxation, in which the quasistatic state governs the one-directional carrier transport.

The changes of lumbar muscle flexion-relaxation phenomenon due to antero-posteriorly slanted ground surfaces.

PubMed

Hu, Boyi; Ning, Xiaopeng; Dai, Fei; Almuhaidib, Ibrahim

2016-09-01

Uneven ground surface is a common occupational injury risk factor in industries such as agriculture, fishing, transportation and construction. Studies have shown that antero-posteriorly slanted ground surfaces could reduce spinal stability and increase the risk of falling. In this study, the influence of antero-posteriorly slanted ground surfaces on lumbar flexion-relaxation responses was investigated. Fourteen healthy participants performed sagittally symmetric and asymmetric trunk bending motions on one flat and two antero-posteriorly slanted surfaces (-15° (uphill facing) and 15° (downhill facing)), while lumbar muscle electromyography and trunk kinematics were recorded. Results showed that standing on a downhill facing slanted surface delays the onset of lumbar muscle flexion-relaxation phenomenon (FRP), while standing on an uphill facing ground causes lumbar muscle FRP to occur earlier. In addition, compared to symmetric bending, when performing asymmetric bending, FRP occurred earlier on the contralateral side of lumbar muscles and significantly smaller maximum lumbar flexion and trunk inclination angles were observed. Practitioner Summary: Uneven ground surface is a common risk factor among a number of industries. In this study, we investigated the influence of antero-posteriorly slanted ground surface on trunk biomechanics during trunk bending. Results showed the slanted surface alters the lumbar tissue load-sharing mechanism in both sagittally symmetric and asymmetric bending.

Slip-deficit rate distribution along the Nankai trough, southwest Japan, with elastic lithosphere and viscoelastic asthenosphere

NASA Astrophysics Data System (ADS)

Noda, A.; Saito, T.; Fukuyama, E.

2017-12-01

In southwest Japan, great thrust earthquakes occurred on the plate interface along the Nankai trough with a recurrence time of about 100 yr. Most studies estimated slip deficits on the seismogenic zone from interseismic GNSS velocity data assuming elastic slip-response functions (e.g. Loveless and Meade, 2016; Yokota et al., 2016). The observed surface velocities, however, include effects of viscoelastic relaxation in the asthenosphere caused by slip history of seismic cycles on the plate interface. Following Noda et al. (2013, GJI), the interseismic surface velocities due to seismic cycle can be represented by the superposition of (1) completely relaxed viscoelastic response to steady slip rate over the whole plate interface, (2) completely relaxed viscoelastic response to steady slip deficit rate in the seismogenic zone, and (3) surface velocity due to viscoelastic stress relaxation after the last interplate earthquake. Subtracting calculated velocities due to steady slip (1) from velocity data observed after the postseismic stress relaxation (3) decays sufficiently, we can formulate an inverse problem of estimating slip deficit rates from the residual velocities using completely relaxed slip-response functions. In an elastic (lithosphere) - viscoelastic (asthenosphere) layered half-space, the completely relaxed responses do not depend on the viscosity of asthenosphere, but depend on the thickness of lithosphere. In this study, we investigate the effects of structure model on the estimation of slip deficit rate distribution. First, we analyze GNSS daily coordinate data (GEONET F3 Solution, GSI), and obtain surface velocity data for overlapped periods of 6 yr (1996-2002, 1999-2005, 2002-2008, 2005-2011). There is no significant temporal change in the velocity data, which suggests that postseismic stress relaxations after the 1944 Tonankai and the 1946 Nankai earthquakes decayed sufficiently. Next, we estimate slip deficit rate distribution from velocity data from 2005 to 2011 together with seafloor geodetic data (Yokota et al., 2016). There is a significant difference between the results using elastic and completely relaxed responses. While the result using elastic responses shows high slip-deficit rate zone in coastal regions, they are located trenchward if using completely relaxed responses.

Studying microstructure and microstructural changes in plant tissues by advanced diffusion magnetic resonance imaging techniques

PubMed Central

Morozov, Darya; Tal, Iris; Pisanty, Odelia; Shani, Eilon

2017-01-01

Abstract As sessile organisms, plants must respond to the environment by adjusting their growth and development. Most of the plant body is formed post-embryonically by continuous activity of apical and lateral meristems. The development of lateral adventitious roots is a complex process, and therefore the development of methods that can visualize, non-invasively, the plant microstructure and organ initiation that occur during growth and development is of paramount importance. In this study, relaxation-based and advanced diffusion magnetic resonance imaging (MRI) methods including diffusion tensor (DTI), q-space diffusion imaging (QSI), and double-pulsed-field-gradient (d-PFG) MRI, at 14.1 T, were used to characterize the hypocotyl microstructure and the microstructural changes that occurred during the development of lateral adventitious roots in tomato. Better contrast was observed in relaxation-based MRI using higher in-plane resolution but this also resulted in a significant reduction in the signal-to-noise ratio of the T2-weighted MR images. Diffusion MRI revealed that water diffusion is highly anisotropic in the vascular cylinder. QSI and d-PGSE MRI showed that in the vascular cylinder some of the cells have sizes in the range of 6–10 μm. The MR images captured cell reorganization during adventitious root formation in the periphery of the primary vascular bundles, adjacent to the xylem pole that broke through the cortex and epidermis layers. This study demonstrates that MRI and diffusion MRI methods allow the non-invasive study of microstructural features of plants, and enable microstructural changes associated with adventitious root formation to be followed. PMID:28398563

Strain relaxation of thick (11–22) semipolar InGaN layer for long wavelength nitride-based device

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

Kim, Jaehwan; Min, Daehong; Jang, Jongjin

2014-10-28

In this study, the properties of thick stress-relaxed (11–22) semipolar InGaN layers were investigated. Owing to the inclination of growth orientation, misfit dislocations (MDs) occurred at the heterointerface when the strain state of the (11–22) semipolar InGaN layers reached the critical point. We found that unlike InGaN layers based on polar and nonpolar growth orientations, the surface morphologies of the stress-relaxed (11–22) semipolar InGaN layers did not differ from each other and were similar to the morphology of the underlying GaN layer. In addition, misfit strain across the whole InGaN layer was gradually relaxed by MD formation at the heterointerface.more » To minimize the effect of surface roughness and defects in GaN layers on the InGaN layer, we conducted further investigation on a thick (11–22) semipolar InGaN layer grown on an epitaxial lateral overgrown GaN template. We found that the lateral indium composition across the whole stress-relaxed InGaN layer was almost uniform. Therefore, thick stress-relaxed (11–22) semipolar InGaN layers are suitable candidates for use as underlying layers in long-wavelength devices, as they can be used to control strain accumulation in the heterostructure active region without additional influence of surface roughness.« less

Local spin dynamics at low temperature in the slowly relaxing molecular chain [Dy(hfac)3{NIT(C6H4OPh)}]: A μ+ spin relaxation study

NASA Astrophysics Data System (ADS)

Arosio, Paolo; Corti, Maurizio; Mariani, Manuel; Orsini, Francesco; Bogani, Lapo; Caneschi, Andrea; Lago, Jorge; Lascialfari, Alessandro

2015-05-01

The spin dynamics of the molecular magnetic chain [Dy(hfac)3{NIT(C6H4OPh)}] were investigated by means of the Muon Spin Relaxation (μ+SR) technique. This system consists of a magnetic lattice of alternating Dy(III) ions and radical spins, and exhibits single-chain-magnet behavior. The magnetic properties of [Dy(hfac)3{NIT(C6H4OPh)}] have been studied by measuring the magnetization vs. temperature at different applied magnetic fields (H = 5, 3500, and 16500 Oe) and by performing μ+SR experiments vs. temperature in zero field and in a longitudinal applied magnetic field H = 3500 Oe. The muon asymmetry P(t) was fitted by the sum of three components, two stretched-exponential decays with fast and intermediate relaxation times, and a third slow exponential decay. The temperature dependence of the spin dynamics has been determined by analyzing the muon longitudinal relaxation rate λinterm(T), associated with the intermediate relaxing component. The experimental λinterm(T) data were fitted with a corrected phenomenological Bloembergen-Purcell-Pound law by using a distribution of thermally activated correlation times, which average to τ = τ0 exp(Δ/kBT), corresponding to a distribution of energy barriers Δ. The correlation times can be associated with the spin freezing that occurs when the system condenses in the ground state.

Relaxations of the isolated portal vein of the rabbit induced by nicotine and electrical stimulation

PubMed Central

Hughes, J.; Vane, J. R.

1970-01-01

1. A pharmacological analysis of the inhibitory innervation of the isolated portal vein of the rabbit has been made. 2. In untreated preparations, transmural stimulation elicited a long-lasting relaxation at low frequencies (0·2-1 Hz); at higher frequencies a contraction followed by a prolonged after-relaxation occurred. Tetrodotoxin abolished the contractions but a higher dose was required to abolish the relaxations. Veratrine lowered the threshold of stimulation for producing relaxations in the untreated vein. The relaxations were unaffected by hyoscine or hexamethonium. They were reduced or altered by antagonists of α-adrenoceptors for catecholamines and by adrenergic neurone blockade. They were sometimes slightly reduced by antagonists of β-adrenoceptors. 3. In the presence of antagonists of α-adrenoceptors, electrical stimulation elicited relaxations which increased with frequency of stimulation and became maximal at 20-30 Hz. These relaxations were partially reduced by antagonists of β-adrenoceptors, or by adrenergic neurone block; the antagonisms were more pronounced at the higher frequencies of stimulation. Noradrenaline also caused relaxations which were abolished by β-adrenoceptor blocking drugs. Cocaine increased the sensitivity to noradrenaline by 7-8 fold after α-adrenoceptor blockade but had little or no effect on the relaxations induced by electrical stimulation at high frequencies. 4. In the presence of antagonists of α- and β-adrenoceptors, or adrenergic neurone blocking agents, or in veins taken from rabbits pretreated with reserpine, electrical stimulation elicited rapid relaxations which were greatest at 20-30 Hz. These relaxations were increased by veratrine and abolished by tetrodotoxin or by storing the vein for 9 days at 4° C. They were unaffected by antagonists of acetylcholine, or by dipyridamole. 5. Prostaglandins E1, E2 and F2α inhibited contractions elicited by electrical stimulation and noradrenaline, but in higher doses caused contractions themselves. 6. Nicotine (10-6-10-5 g/ml) relaxed the portal vein; higher concentrations elicited mixed inhibitory and excitatory effects. All these effects were abolished by tetrodotoxin, cocaine, hexamethonium or storage. The contractor effects were abolished by drugs or procedures that blocked adrenergic mechanisms. 7. The relaxations produced by nicotine in untreated preparations and in veins from rabbits pretreated with reserpine were mediated mainly by a non-adrenergic non-cholinergic nervous mechanism. Relaxations induced by nicotine in the presence of antagonists of a-adrenoceptors were only partially antagonized by antagonists of f3-adrenoceptors. 8. It was concluded that all the effects of nicotine and transmural stimulation were mediated by nerves. Part of the inhibitory effects was mediated by non-adrenergic, non-cholinergic nerves. PMID:4394338

The mechanism of gentisic acid-induced relaxation of the guinea pig isolated trachea: the role of potassium channels and vasoactive intestinal peptide receptors.

PubMed

Cunha, J F; Campestrini, F D; Calixto, J B; Scremin, A; Paulino, N

2001-03-01

We examined some of the mechanisms by which the aspirin metabolite and the naturally occurring metabolite gentisic acid induced relaxation of the guinea pig trachea in vitro. In preparations with or without epithelium and contracted by histamine, gentisic acid caused concentration-dependent and reproducible relaxation, with mean EC(50) values of 18 microM and E(max) of 100% (N = 10) or 20 microM and E(max) of 92% (N = 10), respectively. The relaxation caused by gentisic acid was of slow onset in comparison to that caused by norepinephrine, theophylline or vasoactive intestinal peptide (VIP). The relative rank order of potency was: salbutamol 7.9 > VIP 7.0 > gentisic acid 4.7 > theophylline 3.7. Gentisic acid-induced relaxation was markedly reduced (24 +/- 7.0, 43 +/- 3.9 and 78 +/- 5.6%) in preparations with elevated potassium concentration in the medium (20, 40 or 80 mM, respectively). Tetraethylammonium (100 microM), a nonselective blocker of the potassium channels, partially inhibited the relaxation response to gentisic acid, while 4-AP (10 microM), a blocker of the voltage potassium channel, inhibited gentisic acid-induced relaxation by 41 +/- 12%. Glibenclamide (1 or 3 microM), at a concentration which markedly inhibited the relaxation induced by the opener of ATP-sensitive K(+) channels, levcromakalim, had no effect on the relaxation induced by gentisic acid. Charybdotoxin (0.1 or 0.3 microM), a selective blocker of the large-conductance Ca(2+)-activated K(+) channels, caused rightward shifts (6- and 7-fold) of the gentisic acid concentration-relaxation curve. L-N(G)-nitroarginine (100 microM), a NO synthase inhibitor, had no effect on the relaxant effect of gentisic acid, and caused a slight displacement to the right in the relaxant effect of the gentisic acid curve at 300 microM, while methylene blue (10 or 30 microM) or ODQ (1 microM), the inhibitors of soluble guanylate cyclase, all failed to affect gentisic acid-induced relaxation. D-(P)-Cl-Phe(6),Leu(17)[VIP] (0.1 microM), a VIP receptor antagonist, significantly inhibited (37 +/- 7%) relaxation induced by gentisic acid, whereas CGRP (8-37) (0.1 microM), a CGRP antagonist, only slightly enhanced the action of gentisic acid. Taken together, these results provide functional evidence for the direct activation of voltage and large-conductance Ca(+2)-activated K(+) channels, or indirect modulation of potassium channels induced by VIP receptors and accounts for the predominant relaxation response caused by gentisic acid in the guinea pig trachea.

Fundamentals of ionic conductivity relaxation gained from study of procaine hydrochloride and procainamide hydrochloride at ambient and elevated pressure.

PubMed

Wojnarowska, Z; Swiety-Pospiech, A; Grzybowska, K; Hawelek, L; Paluch, M; Ngai, K L

2012-04-28

The pharmaceuticals, procaine hydrochloride and procainamide hydrochloride, are glass-forming as well as ionically conducting materials. We have made dielectric measurements at ambient and elevated pressures to characterize the dynamics of the ion conductivity relaxation in these pharmaceuticals, and calorimetric measurements for the structural relaxation. Perhaps due to their special chemical and physical structures, novel features are found in the ionic conductivity relaxation of these pharmaceuticals. Data of conductivity relaxation in most ionic conductors when represented by the electric loss modulus usually show a single resolved peak in the electric modulus loss M(")(f) spectra. However, in procaine hydrochloride and procainamide hydrochloride we find in addition another resolved loss peak at higher frequencies over a temperature range spanning across T(g). The situation is analogous to many non-ionic glass-formers showing the presence of the structural α-relaxation together with the Johari-Goldstein (JG) β-relaxation. Naturally the analogy leads us to name the slower and faster processes resolved in procaine hydrochloride and procainamide hydrochloride as the primary α-conductivity relaxation and the secondary β-conductivity relaxation, respectively. The analogy of the β-conductivity relaxation in procaine HCl and procainamide HCl with JG β-relaxation in non-ionic glass-formers goes further by the finding that the β-conductivity is strongly related to the α-conductivity relaxation at temperatures above and below T(g). At elevated pressure but compensated by raising temperature to maintain α-conductivity relaxation time constant, the data show invariance of the ratio between the β- and the α-conductivity relaxation times to changes of thermodynamic condition. This property indicates that the β-conductivity relaxation has fundamental importance and is indispensable as the precursor of the α-conductivity relaxation, analogous to the relation found between the Johari-Goldstein β-relaxation and the structural α-relaxation in non-ionic glass-forming systems. The novel features of the ionic conductivity relaxation are brought out by presenting the measurements in terms of the electric modulus or permittivity. If presented in terms of conductivity, the novel features are lost. This warns against insisting that a log-log plot of conductivity vs. frequency is optimal to reveal and interpret the dynamics of ionic conductors.

The Dynamic Surface Tension of Water

PubMed Central

2017-01-01

The surface tension of water is an important parameter for many biological or industrial processes, and roughly a factor of 3 higher than that of nonpolar liquids such as oils, which is usually attributed to hydrogen bonding and dipolar interactions. Here we show by studying the formation of water drops that the surface tension of a freshly created water surface is even higher (∼90 mN m–1) than under equilibrium conditions (∼72 mN m–1) with a relaxation process occurring on a long time scale (∼1 ms). Dynamic adsorption effects of protons or hydroxides may be at the origin of this dynamic surface tension. However, changing the pH does not significantly change the dynamic surface tension. It also seems unlikely that hydrogen bonding or dipole orientation effects play any role at the relatively long time scale probed in the experiments. PMID:28301160

The Dynamic Surface Tension of Water.

PubMed

Hauner, Ines M; Deblais, Antoine; Beattie, James K; Kellay, Hamid; Bonn, Daniel

2017-04-06

The surface tension of water is an important parameter for many biological or industrial processes, and roughly a factor of 3 higher than that of nonpolar liquids such as oils, which is usually attributed to hydrogen bonding and dipolar interactions. Here we show by studying the formation of water drops that the surface tension of a freshly created water surface is even higher (∼90 mN m -1 ) than under equilibrium conditions (∼72 mN m -1 ) with a relaxation process occurring on a long time scale (∼1 ms). Dynamic adsorption effects of protons or hydroxides may be at the origin of this dynamic surface tension. However, changing the pH does not significantly change the dynamic surface tension. It also seems unlikely that hydrogen bonding or dipole orientation effects play any role at the relatively long time scale probed in the experiments.

Adiabatic elimination for systems with inertia driven by compound Poisson colored noise.

PubMed

Li, Tiejun; Min, Bin; Wang, Zhiming

2014-02-01

We consider the dynamics of systems driven by compound Poisson colored noise in the presence of inertia. We study the limit when the frictional relaxation time and the noise autocorrelation time both tend to zero. We show that the Itô and Marcus stochastic calculuses naturally arise depending on these two time scales, and an extra intermediate type occurs when the two time scales are comparable. This leads to three different limiting regimes which are supported by numerical simulations. Furthermore, we establish that when the resulting compound Poisson process tends to the Wiener process in the frequent jump limit the Itô and Marcus calculuses, respectively, tend to the classical Itô and Stratonovich calculuses for Gaussian white noise, and the crossover type calculus tends to a crossover between the Itô and Stratonovich calculuses. Our results would be very helpful for understanding relevant experiments when jump type noise is involved.

Simplification of femtosecond transient absorption microscopy data from CH3NH3PbI3 perovskite thin films into decay associated amplitude maps

NASA Astrophysics Data System (ADS)

Doughty, Benjamin; Simpson, Mary Jane; Yang, Bin; Xiao, Kai; Ma, Ying-Zhong

2016-03-01

This work aims to simplify multi-dimensional femtosecond transient absorption microscopy (TAM) data into decay associated amplitude maps (DAAMs) that describe the spatial distributions of dynamical processes occurring on various characteristic timescales. Application of this method to TAM data obtained from a model methyl-ammonium lead iodide (CH3NH3PbI3) perovskite thin film allows us to simplify the data set comprising 68 time-resolved images into four DAAMs. These maps offer a simple means to visualize the complex electronic excited-state dynamics in this system by separating distinct dynamical processes evolving on characteristic timescales into individual spatial images. This approach provides new insight into subtle aspects of ultrafast relaxation dynamics associated with excitons and charge carriers in the perovskite thin film, which have recently been found to coexist at spatially distinct locations.

Effects of Peach Cultivar on Enzymatic Browning Following Cell Damage from High-Pressure Processing.

PubMed

Techakanon, Chukwan; Gradziel, Thomas M; Barrett, Diane M

2016-10-12

Peach cultivars contribute to unique product characteristics and may affect the degree of browning after high-pressure processing (HPP). Nine peach cultivars were subjected to HPP at 0, 100, and 400 MPa for 10 min. Proton nuclear magnetic resonance ( 1 H NMR) relaxometry, light microscopy, color, polyphenol oxidase (PPO) activity, and total phenols were evaluated. The development of enzymatic browning during refrigerated storage occurred because of damage during HPP that triggered loss of cell integrity, allowing substrates to interact with enzymes. Increasing pressure levels resulted in greater damage, as determined by shifts in transverse relaxation time (T 2 ) and by light micrographs. Discoloration was triggered by membrane decompartmentalization but limited by PPO activity, which was found to correlate to cultivar harvest time (early, mid, and late season). Outcomes from the microstructure, 1 H NMR ,and PPO activity evaluation were an effective means of determining membrane decompartmentalization and allowed for prediction of browning scenarios.