From quantum mechanics to finance: Microfoundations for jumps, spikes and high volatility phases in diffusion price processes

NASA Astrophysics Data System (ADS)

Henkel, Christof

2017-03-01

We present an agent behavior based microscopic model that induces jumps, spikes and high volatility phases in the price process of a traded asset. We transfer dynamics of thermally activated jumps of an unexcited/excited two state system discussed in the context of quantum mechanics to agent socio-economic behavior and provide microfoundations. After we link the endogenous agent behavior to price dynamics we establish the circumstances under which the dynamics converge to an Itô-diffusion price processes in the large market limit.

Dynamic thermal characteristics of heat pipe via segmented thermal resistance model for electric vehicle battery cooling

NASA Astrophysics Data System (ADS)

Liu, Feifei; Lan, Fengchong; Chen, Jiqing

2016-07-01

Heat pipe cooling for battery thermal management systems (BTMSs) in electric vehicles (EVs) is growing due to its advantages of high cooling efficiency, compact structure and flexible geometry. Considering the transient conduction, phase change and uncertain thermal conditions in a heat pipe, it is challenging to obtain the dynamic thermal characteristics accurately in such complex heat and mass transfer process. In this paper, a ;segmented; thermal resistance model of a heat pipe is proposed based on thermal circuit method. The equivalent conductivities of different segments, viz. the evaporator and condenser of pipe, are used to determine their own thermal parameters and conditions integrated into the thermal model of battery for a complete three-dimensional (3D) computational fluid dynamics (CFD) simulation. The proposed ;segmented; model shows more precise than the ;non-segmented; model by the comparison of simulated and experimental temperature distribution and variation of an ultra-thin micro heat pipe (UMHP) battery pack, and has less calculation error to obtain dynamic thermal behavior for exact thermal design, management and control of heat pipe BTMSs. Using the ;segmented; model, the cooling effect of the UMHP pack with different natural/forced convection and arrangements is predicted, and the results correspond well to the tests.

Effect of temperature variations and thermal noise on the static and dynamic behavior of straintronics devices

NASA Astrophysics Data System (ADS)

Barangi, Mahmood; Mazumder, Pinaki

2015-11-01

A theoretical model quantifying the effect of temperature variations on the magnetic properties and static and dynamic behavior of the straintronics magnetic tunneling junction is presented. Four common magnetostrictive materials (Nickel, Cobalt, Terfenol-D, and Galfenol) are analyzed to determine their temperature sensitivity and to provide a comprehensive database for different applications. The variations of magnetic anisotropies are studied in detail for temperature levels up to the Curie temperature. The energy barrier of the free layer and the critical voltage required for flipping the magnetization vector are inspected as important metrics that dominate the energy requirements and noise immunity when the device is incorporated into large systems. To study the dynamic thermal noise, the effect of the Langevin thermal field on the free layer's magnetization vector is incorporated into the Landau-Lifshitz-Gilbert equation. The switching energy, flipping delay, write, and hold error probabilities are studied, which are important metrics for nonvolatile memories, an important application of the straintronics magnetic tunneling junctions.

Ballistic-diffusive approximation for the thermal dynamics of metallic nanoparticles in nanocomposite materials

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

Shirdel-Havar, A. H., E-mail: Amir.hushang.shirdel@gmail.com; Masoudian Saadabad, R.

2015-03-21

Based on ballistic-diffusive approximation, a method is presented to model heat transfer in nanocomposites containing metal nanoparticles. This method provides analytical expression for the temperature dynamics of metallic nanoparticles embedded in a dielectric medium. In this study, nanoparticles are considered as spherical shells, so that Boltzmann equation is solved using ballistic-diffusive approximation to calculate the electron and lattice thermal dynamics in gold nanoparticles, while thermal exchange between the particles is taken into account. The model was used to investigate the influence of particle size and metal concentration of the medium on the electron and lattice thermal dynamics. It is shownmore » that these two parameters are crucial in determining the nanocomposite thermal behavior. Our results showed that the heat transfer rate from nanoparticles to the matrix decreases as the nanoparticle size increases. On the other hand, increasing the metal concentration of the medium can also decrease the heat transfer rate.« less

Thermal noise model of antiferromagnetic dynamics: A macroscopic approach

NASA Astrophysics Data System (ADS)

Li, Xilai; Semenov, Yuriy; Kim, Ki Wook

In the search for post-silicon technologies, antiferromagnetic (AFM) spintronics is receiving widespread attention. Due to faster dynamics when compared with its ferromagnetic counterpart, AFM enables ultra-fast magnetization switching and THz oscillations. A crucial factor that affects the stability of antiferromagnetic dynamics is the thermal fluctuation, rarely considered in AFM research. Here, we derive from theory both stochastic dynamic equations for the macroscopic AFM Neel vector (L-vector) and the corresponding Fokker-Plank equation for the L-vector distribution function. For the dynamic equation approach, thermal noise is modeled by a stochastic fluctuating magnetic field that affects the AFM dynamics. The field is correlated within the correlation time and the amplitude is derived from the energy dissipation theory. For the distribution function approach, the inertial behavior of AFM dynamics forces consideration of the generalized space, including both coordinates and velocities. Finally, applying the proposed thermal noise model, we analyze a particular case of L-vector reversal of AFM nanoparticles by voltage controlled perpendicular magnetic anisotropy (PMA) with a tailored pulse width. This work was supported, in part, by SRC/NRI SWAN.

Thermalization near Integrability in a Dipolar Quantum Newton's Cradle

NASA Astrophysics Data System (ADS)

Tang, Yijun; Kao, Wil; Li, Kuan-Yu; Seo, Sangwon; Mallayya, Krishnanand; Rigol, Marcos; Gopalakrishnan, Sarang; Lev, Benjamin L.

2018-04-01

Isolated quantum many-body systems with integrable dynamics generically do not thermalize when taken far from equilibrium. As one perturbs such systems away from the integrable point, thermalization sets in, but the nature of the crossover from integrable to thermalizing behavior is an unresolved and actively discussed question. We explore this question by studying the dynamics of the momentum distribution function in a dipolar quantum Newton's cradle consisting of highly magnetic dysprosium atoms. This is accomplished by creating the first one-dimensional Bose gas with strong magnetic dipole-dipole interactions. These interactions provide tunability of both the strength of the integrability-breaking perturbation and the nature of the near-integrable dynamics. We provide the first experimental evidence that thermalization close to a strongly interacting integrable point occurs in two steps: prethermalization followed by near-exponential thermalization. Exact numerical calculations on a two-rung lattice model yield a similar two-timescale process, suggesting that this is generic in strongly interacting near-integrable models. Moreover, the measured thermalization rate is consistent with a parameter-free theoretical estimate, based on identifying the types of collisions that dominate thermalization. By providing tunability between regimes of integrable and nonintegrable dynamics, our work sheds light on the mechanisms by which isolated quantum many-body systems thermalize and on the temporal structure of the onset of thermalization.

A Random Walk in the Park: An Individual-Based Null Model for Behavioral Thermoregulation.

PubMed

Vickers, Mathew; Schwarzkopf, Lin

2016-04-01

Behavioral thermoregulators leverage environmental temperature to control their body temperature. Habitat thermal quality therefore dictates the difficulty and necessity of precise thermoregulation, and the quality of behavioral thermoregulation in turn impacts organism fitness via the thermal dependence of performance. Comparing the body temperature of a thermoregulator with a null (non-thermoregulating) model allows us to estimate habitat thermal quality and the effect of behavioral thermoregulation on body temperature. We define a null model for behavioral thermoregulation that is a random walk in a temporally and spatially explicit thermal landscape. Predicted body temperature is also integrated through time, so recent body temperature history, environmental temperature, and movement influence current body temperature; there is no particular reliance on an organism's equilibrium temperature. We develop a metric called thermal benefit that equates body temperature to thermally dependent performance as a proxy for fitness. We measure thermal quality of two distinct tropical habitats as a temporally dynamic distribution that is an ergodic property of many random walks, and we compare it with the thermal benefit of real lizards in both habitats. Our simple model focuses on transient body temperature; as such, using it we observe such subtleties as shifts in the thermoregulatory effort and investment of lizards throughout the day, from thermoregulators to thermoconformers.

Dynamic mechanical analysis of fiber reinforced composites

NASA Technical Reports Server (NTRS)

Reed, K. E.

1979-01-01

Dynamic mechanical and thermal properties were determined for unidirectional epoxy/glass composites at various fiber orientation angles. Resonant frequency and relative logarithmic decrement were measured as functions of temperature. In low angle and longitudinal specimens a transition was observed above the resin glass transition temperature which was manifested mechanically as an additional damping peak and thermally as a change in the coefficient of thermal expansion. The new transition was attributed to a heterogeneous resin matrix induced by the fiber. The temperature span of the glass-rubber relaxation was found to broaden with decreasing orientation angle, reflecting the growth of fiber contribution and exhibiting behavior similar to that of Young's modulus. The change in resonant frequency through the glass transition was greatest for samples of intermediate fiber angle, demonstrating behavior similar to that of the longitudinal shear modulus.

Thermal buckling behavior of defective CNTs under pre-load: A molecular dynamics study.

PubMed

Mehralian, Fahimeh; Tadi Beni, Yaghoub; Kiani, Yaser

2017-05-01

Current study is concentrated on the extraordinary properties of defective carbon nanotubes (CNTs). The role of vacancy defects in thermal buckling response of precompressed CNTs is explored via molecular dynamics (MD) simulations. Defective CNTs are initially compressed at a certain ratio of their critical buckling strain and then undergo a uniform temperature rise. Comprehensive study is implemented on both armchair and zigzag CNTs with different vacancy defects including monovacancy, symmetric bivacancy and asymmetric bivacancy. The results reveal that defects have a pronounced impact on the buckling behavior of CNTs; interestingly, defective CNTs under compressive pre-load show higher resistance to thermal buckling than pristine ones. In the following, the buckling response of defective CNTs is shown to be dependent on the vacancy defects, location of defects and chirality. Copyright © 2017 Elsevier Inc. All rights reserved.

Lumped-Element Dynamic Electro-Thermal model of a superconducting magnet

NASA Astrophysics Data System (ADS)

Ravaioli, E.; Auchmann, B.; Maciejewski, M.; ten Kate, H. H. J.; Verweij, A. P.

2016-12-01

Modeling accurately electro-thermal transients occurring in a superconducting magnet is challenging. The behavior of the magnet is the result of complex phenomena occurring in distinct physical domains (electrical, magnetic and thermal) at very different spatial and time scales. Combined multi-domain effects significantly affect the dynamic behavior of the system and are to be taken into account in a coherent and consistent model. A new methodology for developing a Lumped-Element Dynamic Electro-Thermal (LEDET) model of a superconducting magnet is presented. This model includes non-linear dynamic effects such as the dependence of the magnet's differential self-inductance on the presence of inter-filament and inter-strand coupling currents in the conductor. These effects are usually not taken into account because superconducting magnets are primarily operated in stationary conditions. However, they often have significant impact on magnet performance, particularly when the magnet is subject to high ramp rates. Following the LEDET method, the complex interdependence between the electro-magnetic and thermal domains can be modeled with three sub-networks of lumped-elements, reproducing the electrical transient in the main magnet circuit, the thermal transient in the coil cross-section, and the electro-magnetic transient of the inter-filament and inter-strand coupling currents in the superconductor. The same simulation environment can simultaneously model macroscopic electrical transients and phenomena at the level of superconducting strands. The model developed is a very useful tool for reproducing and predicting the performance of conventional quench protection systems based on energy extraction and quench heaters, and of the innovative CLIQ protection system as well.

Mechanical and thermal behavior of ionic polymer metal composites: effects of electroded metals

NASA Astrophysics Data System (ADS)

Park, Il-Seok; Kim, Sang-Mun; Kim, Kwang J.

2007-08-01

In this study, we investigated the mechanical properties of various types of ionic polymer-metal composites (IPMCs) and Pt, Au, Pd, and Pt electroded ionic liquid (IL-Pt) IPMCs, by testing tensile modulus and dynamic mechanical behavior. The SEM was utilized to investigate the characteristics of the doped electroding layer, and the DSC was probed in order to look into the thermal behavior of various types of IPMCs. Au IPMCs, having a 5-7 µm-doped layer and nanosized Au particles (ca. 10 nm), showed the highest tensile strength (56 MPa) and modulus (602 MPa) in dried conditions. With regards to thermal behavior, Au IPMC had the highest Tg (153 °C) and Tm (263 °C) in both the DMA and DSC results. The fracture behavior of various types of IPMCs followed the behavior of the base material, Nafion™, which is represented as the semicrystalline polymer characteristic.

Nanocluster building blocks of artificial square spin ice: Stray-field studies of thermal dynamics

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

Pohlit, Merlin, E-mail: pohlit@physik.uni-frankfurt.de; Porrati, Fabrizio; Huth, Michael

We present measurements of the thermal dynamics of a Co-based single building block of an artificial square spin ice fabricated by focused electron-beam-induced deposition. We employ micro-Hall magnetometry, an ultra-sensitive tool to study the stray field emanating from magnetic nanostructures, as a new technique to access the dynamical properties during the magnetization reversal of the spin-ice nanocluster. The obtained hysteresis loop exhibits distinct steps, displaying a reduction of their “coercive field” with increasing temperature. Therefore, thermally unstable states could be repetitively prepared by relatively simple temperature and field protocols allowing one to investigate the statistics of their switching behavior withinmore » experimentally accessible timescales. For a selected switching event, we find a strong reduction of the so-prepared states' “survival time” with increasing temperature and magnetic field. Besides the possibility to control the lifetime of selected switching events at will, we find evidence for a more complex behavior caused by the special spin ice arrangement of the macrospins, i.e., that the magnetic reversal statistically follows distinct “paths” most likely driven by thermal perturbation.« less

Classification of quench-dynamical behaviors in spinor condensates

NASA Astrophysics Data System (ADS)

Daǧ, Ceren B.; Wang, Sheng-Tao; Duan, L.-M.

2018-02-01

Thermalization of isolated quantum systems is a long-standing fundamental problem where different mechanisms are proposed over time. We contribute to this discussion by classifying the diverse quench-dynamical behaviors of spin-1 Bose-Einstein condensates, which includes well-defined quantum collapse and revivals, thermalization, and certain special cases. These special cases are either nonthermal equilibration with no revival but a collapse even though the system has finite degrees of freedom or no equilibration with no collapse and revival. Given that some integrable systems are already shown to demonstrate the weak form of eigenstate thermalization hypothesis (ETH), we determine the regions where ETH holds and fails in this integrable isolated quantum system. The reason behind both thermalizing and nonthermalizing behaviors in the same model under different initial conditions is linked to the discussion of "rare" nonthermal states existing in the spectrum. We also propose a method to predict the collapse and revival time scales and find how they scale with the number of particles in the condensate. We use a sudden quench to drive the system to nonequilibrium and hence the theoretical predictions given in this paper can be probed in experiments.

Thermal cycling effects on static and dynamic properties of a phase separated manganite

NASA Astrophysics Data System (ADS)

Sacanell, J.; Sievers, B.; Quintero, M.; Granja, L.; Ghivelder, L.; Parisi, F.

2018-06-01

In this work we address the interplay between two phenomena which are signatures of the out-of-equilibrium state in phase separated manganites: irreversibility against thermal cycling and aging/rejuvenation process. The sample investigated is La0.5Ca0.5MnO3, a prototypical manganite exhibiting phase separation. Two regimes for isothermal relaxation were observed according to the temperature range: for T > 100 K, aging/rejuvenation effects are observed, while for T < 100 K an irreversible aging was found. Our results show that thermal cycles act as a tool to unveil the dynamical behavior of the phase separated state in manganites, revealing the close interplay between static and dynamic properties of phase separated manganites.

Heat flux and quantum correlations in dissipative cascaded systems

NASA Astrophysics Data System (ADS)

Lorenzo, Salvatore; Farace, Alessandro; Ciccarello, Francesco; Palma, G. Massimo; Giovannetti, Vittorio

2015-02-01

We study the dynamics of heat flux in the thermalization process of a pair of identical quantum systems that interact dissipatively with a reservoir in a cascaded fashion. Despite that the open dynamics of the bipartite system S is globally Lindbladian, one of the subsystems "sees" the reservoir in a state modified by the interaction with the other subsystem and hence it undergoes a non-Markovian dynamics. As a consequence, the heat flow exhibits a nonexponential time behavior which can greatly deviate from the case where each party is independently coupled to the reservoir. We investigate both thermal and correlated initial states of S and show that the presence of correlations at the beginning can considerably affect the heat-flux rate. We carry out our study in two paradigmatic cases—a pair of harmonic oscillators with a reservoir of bosonic modes and two qubits with a reservoir of fermionic modes—and compare the corresponding behaviors. In the case of qubits and for initial thermal states, we find that the trace distance discord is at any time interpretable as the correlated contribution to the total heat flux.

Miscibility and thermal behavior of poly (ε-caprolactone)/long-chain ester of cellulose blends

Treesearch

Yuzhi Xu; Chunpeng Wang; Nicole M. Stark; Zhiyong Cai; Fuxiang Chu

2012-01-01

The long-chain cellulose ester (LCCE) cellulose laurate, poly(ε-caprolactone) (PCL) and their blends were characterized by tensile strength, Fourier transform infrared spectroscopy (FTIR), dynamic mechanical thermal analysis, thermogravimetric analysis (TGA), and transmission electron microscopy (TEM). The compatibility of the blends was...

Molecular Dynamics Simulations of the Thermal Conductivity of Single-Wall Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Osman, M.; Srivastava, Deepak; Govindan,T. R. (Technical Monitor)

2000-01-01

Carbon nanotubes (CNT) have very attractive electronic, mechanical. and thermal properties. Recently, measurements of thermal conductivity in single wall CNT mats showed estimated thermal conductivity magnitudes ranging from 17.5 to 58 W/cm-K at room temperature. which are better than bulk graphite. The cylinderical symmetry of CNT leads to large thermal conductivity along the tube axis, additionally, unlike graphite. CNTs can be made into ropes that can be used as heat conducting pipes for nanoscale applications. The thermal conductivity of several single wall carbon nanotubes has been calculated over temperature range from l00 K to 600 K using non-equilibrium molecular dynamics using Tersoff-Brenner potential for C-C interactions. Thermal conductivity of single wall CNTs shows a peaking behavior as a function of temperature. Dependence of the peak position on the chirality and radius of the tube will be discussed and explained in this presentation.

Non-Fourier based thermal-mechanical tissue damage prediction for thermal ablation.

PubMed

Li, Xin; Zhong, Yongmin; Smith, Julian; Gu, Chengfan

2017-01-02

Prediction of tissue damage under thermal loads plays important role for thermal ablation planning. A new methodology is presented in this paper by combing non-Fourier bio-heat transfer, constitutive elastic mechanics as well as non-rigid motion of dynamics to predict and analyze thermal distribution, thermal-induced mechanical deformation and thermal-mechanical damage of soft tissues under thermal loads. Simulations and comparison analysis demonstrate that the proposed methodology based on the non-Fourier bio-heat transfer can account for the thermal-induced mechanical behaviors of soft tissues and predict tissue thermal damage more accurately than classical Fourier bio-heat transfer based model.

Non-Fourier based thermal-mechanical tissue damage prediction for thermal ablation

PubMed Central

Li, Xin; Zhong, Yongmin; Smith, Julian; Gu, Chengfan

2017-01-01

ABSTRACT Prediction of tissue damage under thermal loads plays important role for thermal ablation planning. A new methodology is presented in this paper by combing non-Fourier bio-heat transfer, constitutive elastic mechanics as well as non-rigid motion of dynamics to predict and analyze thermal distribution, thermal-induced mechanical deformation and thermal-mechanical damage of soft tissues under thermal loads. Simulations and comparison analysis demonstrate that the proposed methodology based on the non-Fourier bio-heat transfer can account for the thermal-induced mechanical behaviors of soft tissues and predict tissue thermal damage more accurately than classical Fourier bio-heat transfer based model. PMID:27690290

Transient behavior of flare-associated solar wind. II - Gas dynamics in a nonradial open field region

NASA Technical Reports Server (NTRS)

Nagai, F.

1984-01-01

Transient behavior of flare-associated solar wind in the nonradial open field region is numerically investigated, taking into account the thermal and dynamical coupling between the chromosphere and the corona. A realistic steady solar wind is constructed which passes through the inner X-type critical point in the rapidly diverging region. The wind speed shows a local maximum at the middle, O-type, critical point. The wind's density and pressure distributions decrease abruptly in the rapidly diverging region of the flow tube. The transient behavior of the wind following flare energy deposition includes ascending and descending conduction fronts. Thermal instability occurs in the lower corona, and ascending material flows out through the throat after the flare energy input ceases. A local density distribution peak is generated at the shock front due to the pressure deficit just behind the shock front.

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

NASA Astrophysics Data System (ADS)

Kılıçarslan, Aynur; Salmankurt, Bahadır; Duman, Sıtkı

2017-02-01

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

Time Step Considerations when Simulating Dynamic Behavior of High Performance Homes

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

Tabares-Velasco, Paulo Cesar

2016-09-01

Building energy simulations, especially those concerning pre-cooling strategies and cooling/heating peak demand management, require careful analysis and detailed understanding of building characteristics. Accurate modeling of the building thermal response and material properties for thermally massive walls or advanced materials like phase change materials (PCMs) are critically important.

Contact dynamic phenomena in rotating machines: Active/passive considerations

NASA Astrophysics Data System (ADS)

Keogh, Patrick S.

2012-05-01

There are machine operating regimes in which rotor/stator interactions may lead to problematic rotor dynamic behavior. For example, dynamic heat sources arising from seals, bearings and other rubbing stator components may cause rotor thermal bend instability. In active magnetic bearing (AMB) systems, the rotor may experience forward and backward whirl rubs with touchdown bearings (TDBs). In abnormal cases, rotor transient and bounce interactions with such bearings may involve highly localized and short duration contacts. This paper discusses certain contact phenomena that may occur in passive and active systems. For example, the rub induced spiral behavior arises from a combination of unbalance and a thermal input that moves slowly around the rotor, typically in passive rotor-bearing systems. However, the instability can be regarded as if arising from a closed-loop feedback system. Hence it is possible to analyze the phenomenon using techniques that have been developed for active control systems. Rotors levitated by AMBs are truly active, but there are fundamental issues that may arise when contact with TDBs occurs. AMB control and contact interactions are discussed together with the benefits for making the TDB an active element. The reason for this lies in the potential ability to control the contact dynamics and associated mechanical and thermal stresses. A prototype system is described.

Modeling non-harmonic behavior of materials from experimental inelastic neutron scattering and thermal expansion measurements

NASA Astrophysics Data System (ADS)

Bansal, Dipanshu; Aref, Amjad; Dargush, Gary; Delaire, Olivier

2016-09-01

Based on thermodynamic principles, we derive expressions quantifying the non-harmonic vibrational behavior of materials, which are rigorous yet easily evaluated from experimentally available data for the thermal expansion coefficient and the phonon density of states. These experimentally-derived quantities are valuable to benchmark first-principles theoretical predictions of harmonic and non-harmonic thermal behaviors using perturbation theory, ab initio molecular-dynamics, or Monte-Carlo simulations. We illustrate this analysis by computing the harmonic, dilational, and anharmonic contributions to the entropy, internal energy, and free energy of elemental aluminum and the ordered compound \\text{FeSi} over a wide range of temperature. Results agree well with previous data in the literature and provide an efficient approach to estimate anharmonic effects in materials.

Molecular Origins of Thermal Transitions in Polyelectrolyte Assemblies

NASA Astrophysics Data System (ADS)

Yildirim, Erol; Zhang, Yanpu; Antila, Hanne S.; Lutkenhaus, Jodie L.; Sammalkorpi, Maria; Aalto Team; Texas A&M Team

2015-03-01

Polyelectrolyte (PE) multilayers and complexes formed from oppositely charged polymers can exhibit extraordinary superhydrophobicity, mechanical strength and responsiveness resulting in applications ranging functional membranes, optics, sensors and drug delivery. Depending on the assembly conditions, PE assemblies may undergo a thermal transition from glassy to soft behavior under heating. Our earlier work using thermal analysis measurements shows a distinct thermal transition for PE layer-by-layer (LbL) systems assembled with added salt but no analogous transition in films assembled without added salt or dry systems. These findings raise interesting questions on the nature of the thermal transition; here, we explore its molecular origins through characterization of the PE aggregates by temperature-controlled all-atom molecular dynamics simulations. We show via molecular simulations the thermal transition results from the existence of an LCST (lower critical solution temperature) in the PE systems: the diffusion behavior, hydrogen bond formation, and bridging capacity of water molecules plasticizing the complex changes at the transition temperature. We quantify the behavior, map its chemistry specificity through comparison of strongly and weakly charged PE complexes, and connect the findings to our interrelated QCM-D experiments.

Thermomechanical Response of Shape Memory Alloy Hybrid Composites. Degree awarded by Virginia Polytechnic Inst. and State Univ., Blackburg, Virginia, Nov. 2000.

NASA Technical Reports Server (NTRS)

Turner, Travis L.

2001-01-01

This study examines the use of embedded shape memory alloy (SMA) actuators for adaptive control of the thermomechanical response of composite structures. A nonlinear thermomechanical model is presented for analyzing shape memory alloy hybrid composite (SMAHC) structures exposed to steady-state thermal and dynamic mechanical loads. Also presented are (1) fabrication procedures for SMAHC specimens, (2) characterization of the constituent materials for model quantification, (3) development of the test apparatus for conducting static and dynamic experiments on specimens with and without SMA, (4) discussion of the experimental results, and (5) validation of the analytical and numerical tools developed in the study. Excellent agreement is achieved between the predicted and measured SAMHC responses including thermal buckling, thermal post-buckling and dynamic response due to inertial loading. The validated model and thermomechanical analysis tools are used to demonstrate a variety of static and dynamic response behaviors including control of static (thermal buckling and post-buckling) and dynamic responses (vibration, sonic fatigue, and acoustic transmission). and SMAHC design considerations for these applications. SMAHCs are shown to have significant advantages over conventional response abatement approaches for vibration, sonic fatigue, and noise control.

Rheological properties and tunable thermoplasticity of phenolic rich fraction of pyrolysis bio-oil.

PubMed

Sahaf, Amir; Laborie, Marie-Pierre G; Englund, Karl; Garcia-Perez, Manuel; McDonald, Armando G

2013-04-08

In this work we report on the preparation, characterization, and properties of a thermally treated lignin-derived, phenolic-rich fraction (PRF) of wood pyrolysis bio-oil obtained by ethyl acetate extraction. The PRF was characterized for viscoelastic and rheological behavior using dynamic mechanical analysis (DMA) and cone and plate rheology. A unique thermoplastic behavior was evidenced. Heat-treated PRFs acquire high modulus but show low temperatures of thermal flow which can be systematically manipulated through the thermal pretreatment. Loss of volatiles, changes in molecular weight, and glass transition temperature (Tg) were investigated using thermogravimetric analysis (TGA), mass spectrometry (MS), and differential scanning calorimetry (DSC), respectively. Underlying mechanisms for the thermal and rheological behavior are discussed with regard to interactions between pyrolytic lignin nanoparticles present in the system and the role of volatile materials on determining the properties of the material resembling in several aspects to colloidal suspension systems. Low thermal flow temperatures and reversible thermal effects can be attributed to association of pyrolytic lignin particles due to intermolecular interactions that are easily ruptured at higher temperatures. The thermoplastic behavior of PRF and its low Tg is of particular interest, as it gives opportunities for application of this fraction in several melt processing and adhesive technologies.

Modeling non-harmonic behavior of materials from experimental inelastic neutron scattering and thermal expansion measurements

DOE PAGES

Bansal, Dipanshu; Aref, Amjad; Dargush, Gary; ...

2016-07-20

Based on thermodynamic principles, we derive expressions quantifying the non-harmonic vibrational behavior of materials, which are rigorous yet easily evaluated from experimentally available data for the thermal expansion coefficient and the phonon density of states. These experimentally-derived quantities are valuable to benchmark first-principles theoretical predictions of harmonic and non-harmonic thermal behaviors using perturbation theory, ab initio molecular-dynamics, or Monte-Carlo simulations. In this study, we illustrate this analysis by computing the harmonic, dilational, and anharmonic contributions to the entropy, internal energy, and free energy of elemental aluminum and the ordered compound FeSi over a wide range of temperature. Our results agreemore » well with previous data in the literature and provide an efficient approach to estimate anharmonic effects in materials.« less

Modeling non-harmonic behavior of materials from experimental inelastic neutron scattering and thermal expansion measurements

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

Bansal, Dipanshu; Aref, Amjad; Dargush, Gary

Based on thermodynamic principles, we derive expressions quantifying the non-harmonic vibrational behavior of materials, which are rigorous yet easily evaluated from experimentally available data for the thermal expansion coefficient and the phonon density of states. These experimentally-derived quantities are valuable to benchmark first-principles theoretical predictions of harmonic and non-harmonic thermal behaviors using perturbation theory, ab initio molecular-dynamics, or Monte-Carlo simulations. In this study, we illustrate this analysis by computing the harmonic, dilational, and anharmonic contributions to the entropy, internal energy, and free energy of elemental aluminum and the ordered compound FeSi over a wide range of temperature. Our results agreemore » well with previous data in the literature and provide an efficient approach to estimate anharmonic effects in materials.« less

Many-body dynamics of chemically propelled nanomotors

NASA Astrophysics Data System (ADS)

Colberg, Peter H.; Kapral, Raymond

2017-08-01

The collective behavior of chemically propelled sphere-dimer motors made from linked catalytic and noncatalytic spheres in a quasi-two-dimensional confined geometry is studied using a coarse-grained microscopic dynamical model. Chemical reactions at the catalytic spheres that convert fuel to product generate forces that couple to solvent degrees of freedom as a consequence of momentum conservation in the microscopic dynamics. The collective behavior of the many-body system is influenced by direct intermolecular interactions among the motors, chemotactic effects due to chemical gradients, hydrodynamic coupling, and thermal noise. Segregation into high and low density phases and globally homogeneous states with strong fluctuations are investigated as functions of the motor characteristics. Factors contributing to this behavior are discussed in the context of active Brownian models.

Optimization Of Engine Heat Transfer Mechanisms For Ground Combat Vehicle Signature Models

NASA Astrophysics Data System (ADS)

Gonda, T.; Rogers, P.; Gerhart, G.; Reynolds, W. R.

1988-08-01

A thermodynamic model for predicting the behavior of selected internal thermal sources of an M2 Bradley Infantry Fighting Vehicle is described. The modeling methodology is expressed in terms of first principle heat transfer equations along with a brief history of TACOM's experience with thermal signature modeling techniques. The dynamic operation of the internal thermal sources is presented along with limited test data and an examination of their effect on the vehicle signature.

Entanglement between two Rydberg atoms induced by a thermal field

NASA Astrophysics Data System (ADS)

Mastyugina, T. S.; Bashkirov, E. K.

2017-11-01

We investigated two Rydberg atoms successively passing a vacuum or a thermal cavity taking into account the detuning. The atoms was assumed to be initially prepared in the Bell types entangled atomic states. Calculating the negativity we investigated the dynamics of atom-atom entanglement both for the vacuum and the thermal field. The special features of negativity behavior have been studied comprehensively foe small and large values of detunings. For thermal field and small detunings we established the effect of sudden death and birth of entanglement.

Wetting and motion behaviors of water droplet on graphene under thermal-electric coupling field

NASA Astrophysics Data System (ADS)

Zhang, Zhong-Qiang; Dong, Xin; Ye, Hong-Fei; Cheng, Guang-Gui; Ding, Jian-Ning; Ling, Zhi-Yong

2015-02-01

Wetting dynamics and motion behaviors of a water droplet on graphene are characterized under the electric-thermal coupling field using classical molecular dynamics simulation method. The water droplet on graphene can be driven by the temperature gradient, while the moving direction is dependent on the electric field intensity. Concretely, the water droplet on graphene moves from the low temperature region to the high temperature region for the relatively weak electric field intensity. The motion acceleration increases with the electric field intensity on graphene, whereas the moving direction switches when the electric field intensity increases up to a threshold. The essence is the change from hydrophilic to hydrophobic for the water droplet on graphene at a threshold of the electric field intensity. Moreover, the driven force of the water droplet caused by the overall oscillation of graphene has important influence on the motion behaviors. The results are helpful to control the wettability of graphene and further develop the graphene-based fluidic nanodevices.

Comparison studies of rheological and thermal behaviors of ionic liquids and nanoparticle ionic liquids.

PubMed

Xu, Yiting; Zheng, Qiang; Song, Yihu

2015-08-14

Novel nanoparticle ionic liquids (NILs) are prepared by grafting modified nanoparticles with long-chain ionic liquids (ILs). The NIL behaves like a liquid at ambient temperature. We studied the rheological behavior of the IL and NIL over the range of 10-55 °C and found an extraordinary difference between the IL and NIL: a small content of nanosilica (7%) moderately improves the crystallinity by 7% of the poly(ethylene glycol) (PEG) segment in the IL, and it improves the dynamic moduli significantly (by 5 times at room temperature). It retards the decay temperature (by 10 °C) of the dynamic moduli during heating as well. The thermal rheological hysteresis observed during heating-cooling temperature sweeps is ascribed to the melting-recrystallization of the PEG segments. Meanwhile, the IL and NIL express accelerated crystallization behavior in comparison with the oligomeric anion. For the first time, we find that ILs and NILs are able to form nanoparticle-containing spherulites at room temperature after long time aging.

Thermal coupling effect on the vortex dynamics of superconducting thin films: time-dependent Ginzburg–Landau simulations

NASA Astrophysics Data System (ADS)

Jing, Ze; Yong, Huadong; Zhou, Youhe

2018-05-01

In this paper, vortex dynamics of superconducting thin films are numerically investigated by the generalized time-dependent Ginzburg–Landau (TDGL) theory. Interactions between vortex motion and the motion induced energy dissipation is considered by solving the coupled TDGL equation and the heat diffusion equation. It is found that thermal coupling has significant effects on the vortex dynamics of superconducting thin films. Branching in the vortex penetration path originates from the coupling between vortex motion and the motion induced energy dissipation. In addition, the environment temperature, the magnetic field ramp rate and the geometry of the superconducting film also greatly influence the vortex dynamic behaviors. Our results provide new insights into the dynamics of superconducting vortices, and give a mesoscopic understanding on the channeling and branching of vortex penetration paths during flux avalanches.

Sub-100 fJ and sub-nanosecond thermally driven threshold switching in niobium oxide crosspoint nanodevices.

PubMed

Pickett, Matthew D; Williams, R Stanley

2012-06-01

We built and measured the dynamical current versus time behavior of nanoscale niobium oxide crosspoint devices which exhibited threshold switching (current-controlled negative differential resistance). The switching speeds of 110 × 110 nm(2) devices were found to be Δt(ON) = 700 ps and Δt(OFF) = 2:3 ns while the switching energies were of the order of 100 fJ. We derived a new dynamical model based on the Joule heating rate of a thermally driven insulator-to-metal phase transition that accurately reproduced the experimental results, and employed the model to estimate the switching time and energy scaling behavior of such devices down to the 10 nm scale. These results indicate that threshold switches could be of practical interest in hybrid CMOS nanoelectronic circuits.

Studies on thermal decomposition behaviors of polypropylene using molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Huang, Jinbao; He, Chao; Tong, Hong; Pan, Guiying

2017-11-01

Polypropylene (PP) is one of the main components of waste plastics. In order to understand the mechanism of PP thermal decomposition, the pyrolysis behaviour of PP has been simulated from 300 to 1000 K in periodic boundary conditions by molecular dynamic method, based on AMBER force field. The simulation results show that the pyrolysis process of PP can mostly be divided into three stages: low temperature pyrolysis stage, intermediate temperature stage and high temperature pyrolysis stage. PP pyrolysis is typical of random main-chain scission, and the possible formation mechanism of major pyrolysis products was analyzed.

Molecular Dynamics Modeling of Thermal Properties of Aluminum Near Melting Line

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

Karavaev, A. V.; Dremov, V. V.; Sapozhnikov, F. A.

2006-08-03

In this work we present results of calculations of thermal properties of solid and liquid phases of aluminum at different densities and temperatures using classical molecular dynamics with EAM potential function. Dependencies of heat capacity CV on temperature and density have been analyzed. It was shown that when temperature increases, heat capacity CV behavior deviates from that by Dulong-Petit law. It may be explained by influence of anharmonicity of crystal lattice vibrations. Comparison of heat capacity CV of liquid phase with Grover's model has been performed. Dependency of aluminum melting temperature on pressure has been acquired.

Simulation and thermal imaging of the 2006 Esperanza Wildfire in southern California: application of a coupled weather-wildland fire model

Treesearch

Janice L. Coen; Philip J Riggan

2014-01-01

The 2006 Esperanza Fire in Riverside County, California, was simulated with the Coupled Atmosphere-Wildland Fire Environment (CAWFE) model to examine how dynamic interactions of the atmosphere with large-scale fire spread and energy release may affect observed patterns of fire behavior as mapped using the FireMapper thermal imaging radiometer. CAWFE simulated the...

Quantum dynamics of the intramolecular vibrational energy redistribution in OCS: From localization to quasi-thermalization

NASA Astrophysics Data System (ADS)

Pérez, J. B.; Arce, J. C.

2018-06-01

We report a fully quantum-dynamical study of the intramolecular vibrational energy redistribution (IVR) in the electronic ground state of carbonyl sulfide, which is a prototype of an isolated many-body quantum system with strong internal couplings and non-Rice-Ramsperger-Kassel-Marcus (RRKM) behavior. We pay particular attention to the role of many-body localization and the approach to thermalization, which currently are topics of considerable interest, as they pertain to the very foundations of statistical mechanics and thermodynamics. We employ local-mode (valence) coordinates and consider initial excitations localized in one local mode, with energies ranging from low to near the dissociation threshold, where the classical dynamics have been shown to be chaotic. We propagate the nuclear wavepacket on the potential energy surface by means of the numerically exact multiconfiguration time-dependent Hartree method and employ mean local energies, time-dependent and time-averaged populations in quantum number space, energy distributions, entanglement entropies, local population distributions, microcanonical averages, and dissociation probabilities, as diagnostic tools. This allows us to identify a continuous localization → delocalization transition in the energy flow, associated with the onset of quantum chaos, as the excitation energy increases up to near the dissociation threshold. Moreover, we find that at this energy and ˜1 ps the molecule nearly thermalizes. Furthermore, we observe that IVR is so slow that the molecule begins to dissociate well before such quasi-thermalization is complete, in accordance with earlier classical-mechanical predictions of non-RRKM behavior.

Quantum dynamics of the intramolecular vibrational energy redistribution in OCS: From localization to quasi-thermalization.

PubMed

Pérez, J B; Arce, J C

2018-06-07

We report a fully quantum-dynamical study of the intramolecular vibrational energy redistribution (IVR) in the electronic ground state of carbonyl sulfide, which is a prototype of an isolated many-body quantum system with strong internal couplings and non-Rice-Ramsperger-Kassel-Marcus (RRKM) behavior. We pay particular attention to the role of many-body localization and the approach to thermalization, which currently are topics of considerable interest, as they pertain to the very foundations of statistical mechanics and thermodynamics. We employ local-mode (valence) coordinates and consider initial excitations localized in one local mode, with energies ranging from low to near the dissociation threshold, where the classical dynamics have been shown to be chaotic. We propagate the nuclear wavepacket on the potential energy surface by means of the numerically exact multiconfiguration time-dependent Hartree method and employ mean local energies, time-dependent and time-averaged populations in quantum number space, energy distributions, entanglement entropies, local population distributions, microcanonical averages, and dissociation probabilities, as diagnostic tools. This allows us to identify a continuous localization → delocalization transition in the energy flow, associated with the onset of quantum chaos, as the excitation energy increases up to near the dissociation threshold. Moreover, we find that at this energy and ∼1 ps the molecule nearly thermalizes. Furthermore, we observe that IVR is so slow that the molecule begins to dissociate well before such quasi-thermalization is complete, in accordance with earlier classical-mechanical predictions of non-RRKM behavior.

Effect of Carrier Thermalization Dynamics on Light Emission and Amplification in Organometal Halide Perovskites.

PubMed

Chen, Kai; Barker, Alex J; Morgan, Francis L C; Halpert, Jonathan E; Hodgkiss, Justin M

2015-01-02

The remarkable rise of organometal halide perovskites as solar photovoltaic materials has been followed by promising developments in light-emitting devices, including lasers. Here we present unique insights into the processes leading to photon emission in these materials. We employ ultrafast broadband photoluminescence (PL) and transient absorption spectroscopies to directly link density dependent ultrafast charge dynamics to PL. We find that exceptionally strong PL at the band edge is preceded by thermalization of free charge carriers. Short-lived PL above the band gap is clear evidence of nonexcitonic emission from hot carriers, and ultrafast PL depolarization confirms that uncorrelated charge pairs are precursors to photon emission. Carrier thermalization has a profound effect on amplified stimulated emission at high fluence; the delayed onset of optical gain we resolve within the first 10 ps and the unusual oscillatory behavior are both consequences of the kinetic interplay between carrier thermalization and optical gain.

Evidence for thermally assisted threshold switching behavior in nanoscale phase-change memory cells

NASA Astrophysics Data System (ADS)

Le Gallo, Manuel; Athmanathan, Aravinthan; Krebs, Daniel; Sebastian, Abu

2016-01-01

In spite of decades of research, the details of electrical transport in phase-change materials are still debated. In particular, the so-called threshold switching phenomenon that allows the current density to increase steeply when a sufficiently high voltage is applied is still not well understood, even though there is wide consensus that threshold switching is solely of electronic origin. However, the high thermal efficiency and fast thermal dynamics associated with nanoscale phase-change memory (PCM) devices motivate us to reassess a thermally assisted threshold switching mechanism, at least in these devices. The time/temperature dependence of the threshold switching voltage and current in doped Ge2Sb2Te5 nanoscale PCM cells was measured over 6 decades in time at temperatures ranging from 40 °C to 160 °C. We observe a nearly constant threshold switching power across this wide range of operating conditions. We also measured the transient dynamics associated with threshold switching as a function of the applied voltage. By using a field- and temperature-dependent description of the electrical transport combined with a thermal feedback, quantitative agreement with experimental data of the threshold switching dynamics was obtained using realistic physical parameters.

Experimental Results From the Thermal Energy Storage-1 (TES-1) Flight Experiment

NASA Technical Reports Server (NTRS)

Jacqmin, David

1995-01-01

The Thermal Energy Storage (TES) experiments are designed to provide data to help researchers understand the long-duration microgravity behavior of thermal energy storage fluoride salts that undergo repeated melting and freezing. Such data, which have never been obtained before, have direct application to space-based solar dynamic power systems. These power systems will store solar energy in a thermal energy salt, such as lithium fluoride (LiF) or a eutectic of lithium fluoride/calcium difluoride (LiF-CaF2) (which melts at a lower temperature). The energy will be stored as the latent heat of fusion when the salt is melted by absorbing solar thermal energy. The stored energy will then be extracted during the shade portion of the orbit, enabling the solar dynamic power system to provide constant electrical power over the entire orbit. Analytical computer codes have been developed to predict the performance of a spacebased solar dynamic power system. However, the analytical predictions must be verified experimentally before the analytical results can be used for future space power design applications. Four TES flight experiments will be used to obtain the needed experimental data. This article focuses on the flight results from the first experiment, TES-1, in comparison to the predicted results from the Thermal Energy Storage Simulation (TESSIM) analytical computer code.

Dynamic phase transitions of the Blume-Emery-Griffiths model under an oscillating external magnetic field by the path probability method

NASA Astrophysics Data System (ADS)

Ertaş, Mehmet; Keskin, Mustafa

2015-03-01

By using the path probability method (PPM) with point distribution, we study the dynamic phase transitions (DPTs) in the Blume-Emery-Griffiths (BEG) model under an oscillating external magnetic field. The phases in the model are obtained by solving the dynamic equations for the average order parameters and a disordered phase, ordered phase and four mixed phases are found. We also investigate the thermal behavior of the dynamic order parameters to analyze the nature dynamic transitions as well as to obtain the DPT temperatures. The dynamic phase diagrams are presented in three different planes in which exhibit the dynamic tricritical point, double critical end point, critical end point, quadrupole point, triple point as well as the reentrant behavior, strongly depending on the values of the system parameters. We compare and discuss the dynamic phase diagrams with dynamic phase diagrams that were obtained within the Glauber-type stochastic dynamics based on the mean-field theory.

Solid-Liquid Interface Thermal Resistance Affects the Evaporation Rate of Droplets from a Surface: A Study of Perfluorohexane on Chromium Using Molecular Dynamics and Continuum Theory.

PubMed

Han, Haoxue; Schlawitschek, Christiane; Katyal, Naman; Stephan, Peter; Gambaryan-Roisman, Tatiana; Leroy, Frédéric; Müller-Plathe, Florian

2017-05-30

We study the role of solid-liquid interface thermal resistance (Kapitza resistance) on the evaporation rate of droplets on a heated surface by using a multiscale combination of molecular dynamics (MD) simulations and analytical continuum theory. We parametrize the nonbonded interaction potential between perfluorohexane (C 6 F 14 ) and a face-centered-cubic solid surface to reproduce the experimental wetting behavior of C 6 F 14 on black chromium through the solid-liquid work of adhesion (quantity directly related to the wetting angle). The thermal conductances between C 6 F 14 and (100) and (111) solid substrates are evaluated by a nonequilibrium molecular dynamics approach for a liquid pressure lower than 2 MPa. Finally, we examine the influence of the Kapitza resistance on evaporation of droplets in the vicinity of a three-phase contact line with continuum theory, where the thermal resistance of liquid layer is comparable with the Kapitza resistance. We determine the thermodynamic conditions under which the Kapitza resistance plays an important role in correctly predicting the evaporation heat flux.

The mechanical properties of ionic polymer-metal composites

NASA Astrophysics Data System (ADS)

Park, Il-Seok; Kim, Sang-Mun; Kim, Doyeon; Kim, Kwang J.

2007-04-01

In this study, we investigated the mechanical properties of various type ionic polymer-metal composites (IPMCs) and Pt, Au, Pd, and Pt electroded ionic liquid (IL-Pt) IPMCs, by testing tensile modulus and dynamic mechanical behavior. The SEM was utilized to investigate the characteristics of the doped electroding layer, and the DSC was probed in order to look into the thermal behavior of various types of IPMCs. Au IPMCs, having a 5~7 μm doped layer and nano-sized Au particles (ca. 10 nm), showed the highest tensile strength (56 MPa) and modulus (602 MPa) in a dried condition. In a thermal behavior, Au IPMC has the highest T g (153°C) and T m (263°C) in both the DMA and DSC results. The fracture behavior of various types IPMCs followed base material's behavior, Nafion TM, which is represented as the semicrystalline polymer characteristic.

Chimera states in a Hodgkin-Huxley model of thermally sensitive neurons

NASA Astrophysics Data System (ADS)

Glaze, Tera A.; Lewis, Scott; Bahar, Sonya

2016-08-01

Chimera states occur when identically coupled groups of nonlinear oscillators exhibit radically different dynamics, with one group exhibiting synchronized oscillations and the other desynchronized behavior. This dynamical phenomenon has recently been studied in computational models and demonstrated experimentally in mechanical, optical, and chemical systems. The theoretical basis of these states is currently under active investigation. Chimera behavior is of particular relevance in the context of neural synchronization, given the phenomenon of unihemispheric sleep and the recent observation of asymmetric sleep in human patients with sleep apnea. The similarity of neural chimera states to neural "bump" states, which have been suggested as a model for working memory and visual orientation tuning in the cortex, adds to their interest as objects of study. Chimera states have been demonstrated in the FitzHugh-Nagumo model of excitable cells and in the Hindmarsh-Rose neural model. Here, we demonstrate chimera states and chimera-like behaviors in a Hodgkin-Huxley-type model of thermally sensitive neurons both in a system with Abrams-Strogatz (mean field) coupling and in a system with Kuramoto (distance-dependent) coupling. We map the regions of parameter space for which chimera behavior occurs in each of the two coupling schemes.

Study of thermocline development inside a dual-media storage tank at the beginning of dynamic processes

NASA Astrophysics Data System (ADS)

Esence, Thibaut; Bayón, Rocío; Bruch, Arnaud; Rojas, Esther

2017-06-01

This work presents some of the experimental results obtained during a test campaign performed at the STONE facility of CEA-Grenoble in collaboration with CIEMAT-PSA supported by both the SFERA-II and the STAGE-STE project. This installation consists of a thermocline tank with thermal oil and rock/sand filler and the tests aimed to study the development of the temperature profile inside the tank at the beginning of charge/discharge processes. The investigation of how this profile is created and which is its dependence on the experimental parameters is crucial for predicting the behavior of a dual-media thermocline tank. Tests have been performed for dynamic processes from initial states with constant uniform temperature or with a thermal gradient already present due to a partial thermocline zone extraction in the former process. Tests at different fluid velocities and temperatures have been carried out as well, in order to evaluate the influence of operating conditions. When a dynamic process of charge or discharge is started, the development of the thermal front is very sharp and localized at tank top or bottom if initial tank temperature is uniform, whereas it is less pronounced if the test begins from a non-thermally uniform initial state. In terms of operating conditions, it has been observed that the development of the thermocline thermal front is independent not only of the fluid velocity but also of its temperatures, within the working ranges here considered. Due to these experimental results, it will be possible to improve simulation models for thermocline tanks and hence to predict their behavior more accurately, especially when they are implemented in annual simulations of CSP plants.

Dynamic Snap-Through of Thermally Buckled Structures by a Reduced Order Method

NASA Technical Reports Server (NTRS)

Przekop, Adam; Rizzi, Stephen A.

2007-01-01

The goal of this investigation is to further develop nonlinear modal numerical simulation methods for application to geometrically nonlinear response of structures exposed to combined high intensity random pressure fluctuations and thermal loadings. The study is conducted on a flat aluminum beam, which permits a comparison of results obtained by a reduced-order analysis with those obtained from a numerically intensive simulation in physical degrees-of-freedom. A uniformly distributed thermal loading is first applied to investigate the dynamic instability associated with thermal buckling. A uniformly distributed random loading is added to investigate the combined thermal-acoustic response. In the latter case, three types of response characteristics are considered, namely: (i) small amplitude vibration around one of the two stable buckling equilibrium positions, (ii) intermittent snap-through response between the two equilibrium positions, and (iii) persistent snap-through response between the two equilibrium positions. For the reduced-order analysis, four categories of modal basis functions are identified including those having symmetric transverse, anti-symmetric transverse, symmetric in-plane, and anti-symmetric in-plane displacements. The effect of basis selection on the quality of results is investigated for the dynamic thermal buckling and combined thermal-acoustic response. It is found that despite symmetric geometry, loading, and boundary conditions, the anti-symmetric transverse and symmetric in-plane modes must be included in the basis as they participate in the snap-through behavior.

Intrinsic fluorescence spectroscopy of glutamate dehydrogenase: Integrated behavior and deconvolution analysis

NASA Astrophysics Data System (ADS)

Pompa, P. P.; Cingolani, R.; Rinaldi, R.

2003-07-01

In this paper, we present a deconvolution method aimed at spectrally resolving the broad fluorescence spectra of proteins, namely, of the enzyme bovine liver glutamate dehydrogenase (GDH). The analytical procedure is based on the deconvolution of the emission spectra into three distinct Gaussian fluorescing bands Gj. The relative changes of the Gj parameters are directly related to the conformational changes of the enzyme, and provide interesting information about the fluorescence dynamics of the individual emitting contributions. Our deconvolution method results in an excellent fitting of all the spectra obtained with GDH in a number of experimental conditions (various conformational states of the protein) and describes very well the dynamics of a variety of phenomena, such as the dependence of hexamers association on protein concentration, the dynamics of thermal denaturation, and the interaction process between the enzyme and external quenchers. The investigation was carried out by means of different optical experiments, i.e., native enzyme fluorescence, thermal-induced unfolding, and fluorescence quenching studies, utilizing both the analysis of the “average” behavior of the enzyme and the proposed deconvolution approach.

Advantages of a Vertical High-Resolution Distributed-Temperature-Sensing System Used to Evaluate the Thermal Behavior of Green Roofs

NASA Astrophysics Data System (ADS)

Hausner, M. B.; Suarez, F. I.; Cousiño, J. A.; Victorero, F.; Bonilla, C. A.; Gironas, J. A.; Vera, S.; Bustamante, W.; Rojas, V.; Leiva, E.; Pasten, P.

2015-12-01

Technological innovations used for sustainable urban development, green roofs offer a range of benefits, including reduced heat island effect, rooftop runoff, roof surface temperatures, energy consumption, and noise levels inside buildings, as well as increased urban biodiversity. Green roofs feature layered construction, with the most important layers being the vegetation and the substrate layers located above the traditional roof. These layers provide both insulation and warm season cooling by latent heat flux, reducing the thermal load to the building. To understand and improve the processes driving this thermal energy reduction, it is important to observe the thermal dynamics of a green roof at the appropriate spatial and temporal scales. Traditionally, to observe the thermal behavior of green roofs, a series of thermocouples have been installed at discrete depths within the layers of the roof. Here, we present a vertical high-resolution distributed-temperature-sensing (DTS) system installed in different green roof modules of the Laboratory of Vegetated Infrastructure for Buildings (LIVE -its acronym in Spanish) of the Pontifical Catholic University of Chile. This DTS system allows near-continuous measurement of the thermal profile at spatial and temporal resolutions of approximately 1 cm and 30 s, respectively. In this investigation, the temperature observations from the DTS system are compared with the measurements of a series of thermocouples installed in the green roofs. This comparison makes it possible to assess the value of thermal observations at better spatial and temporal resolutions. We show that the errors associated with lower resolution observations (i.e., from the thermocouples) are propagated in the calculations of the heat fluxes through the different layers of the green roof. Our results highlight the value of having a vertical high-resolution DTS system to observe the thermal dynamics in green roofs.

Dynamical and thermal qualification of the C-SiC nose for the IXV

NASA Astrophysics Data System (ADS)

Buffenoir, François; Escafre, David; Brault, Tiana; Rival, Loic; Girard, Florent

2016-07-01

The Intermediate experimental Vehicle (IXV) atmospheric re-entry demonstrator, developed within the FLPP (Future Launcher Preparatory Program) and funded by ESA, was aimed at developing a demonstration vehicle that gave Europe a unique opportunity to increase its knowledge in the field of advanced atmospheric re-entry technologies. Within this program, HERAKLES, Safran Group, was in charge of the TPS of the windward and nose assemblies of the vehicle, and has developed and manufactured SepcarbInox® Ceramic Matrix Composite (CMC) protection systems that provided a high temperature resistant nonablative outer mold line (OML) for enhanced aerodynamic control. A key component of this TPS is the nose assembly, which is one the most loaded part during re-entry. The paper describes the analysis activities that led to the qualification of the nose assembly, through two activities: Dynamical behavior of the nose. Thermal behavior of the nose For both cases, the paper shows how FE models, compared with tests results, led to the understanding and simulation of the nose assembly behavior, allowing HERAKLES to confirm the design margins before flight.

Novel dynamic thermal characterization of multifunctional concretes with microencapsulated phase change materials

NASA Astrophysics Data System (ADS)

Pisello, Anna Laura; Fabiani, Claudia; D'Alessandro, Antonella; Cabeza, Luisa F.; Ubertini, Filippo; Cotana, Franco

2017-04-01

Concrete is widely applied in the construction sector for its reliable mechanical performance, its easiness of use and low costs. It also appears promising for enhancing the thermal-energy behavior of buildings thanks to its capability to be doped with multifunctional fillers. In fact, key studies acknowledged the benefits of thermally insulated concretes for applications in ceilings and walls. At the same time, thermal capacity also represents a key property to be optimized, especially for lightweight constructions. In this view, Thermal-Energy Storage (TES) systems have been recently integrated into building envelopes for increasing thermal inertia. More in detail, numerical experimental investigations showed how Phase Change materials (PCMs), as an acknowledged passive TES strategy, can be effectively included in building envelope, with promising results in terms of thermal buffer potentiality. In particular, this work builds upon previous papers aimed at developing the new PCM-filled concretes for structural applications and optimized thermalenergy efficiency, and it is focused on the development of a new experimental method for testing such composite materials in thermal-energy dynamic conditions simulated in laboratory by exposing samples to environmentally controlled microclimate while measuring thermal conductivity and diffusivity by means of transient plane source techniques. The key findings show how the new composites are able to increasingly delay the thermal wave with increasing the PCM concentration and how the thermal conductivity varies during the course of the phase change, in both melting and solidification processes. The new analysis produces useful findings in proposing an effective method for testing composite materials with adaptive thermal performance, much needed by the scientific community willing to study building envelopes dynamics.

Rich stochastic dynamics of co-doped Er:Yb fluorescence upconversion nanoparticles in the presence of thermal, non-conservative, harmonic and optical forces

NASA Astrophysics Data System (ADS)

Nome, Rene A.; Sorbello, Cecilia; Jobbágy, Matías; Barja, Beatriz C.; Sanches, Vitor; Cruz, Joyce S.; Aguiar, Vinicius F.

2017-03-01

The stochastic dynamics of individual co-doped Er:Yb upconversion nanoparticles (UCNP) were investigated from experiments and simulations. The UCNP were characterized by high-resolution scanning electron microscopy, dynamic light scattering, and zeta potential measurements. Single UCNP measurements were performed by fluorescence upconversion micro-spectroscopy and optical trapping. The mean-square displacement (MSD) from single UCNP exhibited a time-dependent diffusion coefficient which was compared with Brownian dynamics simulations of a viscoelastic model of harmonically bound spheres. Experimental time-dependent two-dimensional trajectories of individual UCNP revealed correlated two-dimensional nanoparticle motion. The measurements were compared with stochastic trajectories calculated in the presence of a non-conservative rotational force field. Overall, the complex interplay of UCNP adhesion, thermal fluctuations and optical forces led to a rich stochastic behavior of these nanoparticles.

How thermal stress alters the confinement of polymers vitrificated in nanopores

NASA Astrophysics Data System (ADS)

Teng, Chao; Li, Linling; Wang, Yong; Wang, Rong; Chen, Wei; Wang, Xiaoliang; Xue, Gi

2017-05-01

Understanding and controlling the glass transition temperature (Tg) and dynamics of polymers in confined geometries are of significance in both academia and industry. Here, we investigate how the thermal stress induced by a mismatch in the coefficient of thermal expansion affects the Tg behavior of polystyrene (PS) nanorods located inside cylindrical alumina nanopores. The size effects and molecular weight dependence of the Tg are also studied. A multi-step relaxation process was employed to study the relationship between thermal stress and cooling rate. At fast cooling rates, the imparted thermal stress would overcome the yield stress of PS and peel chains off the pore walls, while at slow cooling rates, chains are kept in contact with the pore walls due to timely dissipation of the produced thermal stress during vitrification. In smaller nanopores, more PS chains closely contact with pore walls, then stronger internal thermal stress would be generated between core and shell of PS nanorod, which results in a larger deviation between two Tgs. The core part of PS shows lower Tg than bulk value, which can induce faster dynamics in the center region. A complex and important role stress plays is supposed in complex confinement condition, e.g., in nanopores, during vitrification.

Work-in-Progress Presented at the Army Symposium on Solid Mechanics, 1980 - Designing for Extremes: Environment, Loading, and Structural Behavior Held at Cape Cod, Massachusetts, 29 September-2 October 1980

DTIC Science & Technology

1980-09-01

relating x’and y’ Figure 2: Basic Laboratory Simulation Model 73 COMPARISON OF COMPUTED AND MEASURED ACCELERATIONS IN A DYNAMICALLY LOADED TACTICAL...Survival (General) Displacements Mines (Ordnance) Telemeter Systems Dynamic Response Models Temperatures Dynamics Moisture Thermal Stresses Energy...probabilistic reliability model for the XM 753 projectile rocket motor to bulkhead joint under extreme loading conditions is constructed. The reliability

Correlated Time-Variation of Asphalt Rheology and Bulk Microstructure

NASA Astrophysics Data System (ADS)

Ramm, Adam; Nazmus, Sakib; Bhasin, Amit; Downer, Michael

We use noncontact optical microscopy and optical scattering in the visible and near-infrared spectrum on Performance Grade (PG) asphalt binder to confirm the existence of microstructures in the bulk. The number of visible microstructures increases linearly as penetration depth of the incident radiation increases, which verifies a uniform volume distribution of microstructures. We use dark field optical scatter in the near-infrared to measure the temperature dependent behavior of the bulk microstructures and compare this behavior with Dynamic Shear Rheometer (DSR) measurements of the bulk complex shear modulus | G* (T) | . The main findings are: (1) After reaching thermal equilibrium, both temperature dependent optical scatter intensity (I (T)) and bulk shear modulus (| G* (T) |) continue to change appreciably for times much greater than thermal equilibration times. (2) The hysteresis behavior during a complete temperature cycle seen in previous work derives from a larger time dependence in the cooling step compared with the heating step. (3) Different binder aging conditions show different thermal time-variations for both I (T) and | G* (T) | .

Thermochemical and trace element behavior of coal gangue, agricultural biomass and their blends during co-combustion.

PubMed

Zhou, Chuncai; Liu, Guijian; Cheng, Siwei; Fang, Ting; Lam, Paul Kwan Sing

2014-08-01

The thermal decomposition behavior of coal gangue, peanut shell, wheat straw and their blends during combustion were determined via thermogravimetric analysis. The coal gangue/agricultural biomass blends were prepared in four weight ratios and oxidized under dynamic conditions from room temperature to 1000 °C by various heating rates. Kinetic models were carried out to evaluate the thermal reactivity. The overall mass balance was performed to assess the partition behavior of coal gangue, peanut shell and their blends during combustion in a fixed bed reactor. The decomposition processes of agricultural biomass included evaporation, release of volatile matter and combustion as well as char oxidation. The thermal reactivity of coal gangue could be improved through the addition of agricultural biomass in suitable proportion and subsequent appropriate heating rate during combustion. In combination with the heating value and base/acid ratio limitations, a blending ratio of 30% agricultural biomass is conservatively selected as optimum blending. Copyright © 2014 Elsevier Ltd. All rights reserved.

Strength, Fracture Toughness, Fatigue, and Standardization Issues of Free-standing Thermal Barrier Coatings

NASA Technical Reports Server (NTRS)

Choi, Sung R.; Zhu, Dong-Ming; Miller, Robert A.

2003-01-01

Strength, fracture toughness and fatigue behavior of free-standing thick thermal barrier coatings of plasma-sprayed ZrO2-8wt % Y2O3 were determined at ambient and elevated temperatures in an attempt to establish a database for design. Strength, in conjunction with deformation (stress-strain behavior), was evaluated in tension (uniaxial and trans-thickness), compression, and uniaxial and biaxial flexure; fracture toughness was determined in various load conditions including mode I, mode II, and mixed modes I and II; fatigue or slow crack growth behavior was estimated in cyclic tension and dynamic flexure loading. Effect of sintering was quantified through approaches using strength, fracture toughness, and modulus (constitutive relations) measurements. Standardization issues on test methodology also was presented with a special regard to material's unique constitutive relations.

Dynamic piezoresistive response of hybrid nanocomposites

NASA Astrophysics Data System (ADS)

Gbaguidi, Audrey; Anees, Muhammad; Namilae, Sirish; Kim, Daewon

2017-04-01

Hybrid nanocomposites with carbon nanotubes and graphitic platelets as fillers are known to exhibit remarkable electrical and mechanical properties with many potential strain and damage sensing applications. In this work, we fabricate hybrid nanocomposites with carbon nanotube sheet and coarse graphite platelets as fillers with epoxy matrix. We then examine the electromechanical behavior of these nanocomposites under dynamic loading. The electrical resistivity responses of the nanocomposites are measured in frequency range of 1 Hz to 50 Hz with different levels of induced strains. Axial cycling loading is applied using a uniaxial electrodynamic shaker, and transverse loading is applied on end-clamped specimen using modified speakers. In addition, a dynamic mechanical analysis of nanocomposite specimen is performed to characterize the thermal and dynamic behavior of the nanocomposite. Our results indicate that these hybrid nanocomposites exhibit a distinct piezoresistive response under a wide range of dynamic loading conditions, which can be beneficial for potential sensing applications.

Evidence for thermally assisted threshold switching behavior in nanoscale phase-change memory cells

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

Le Gallo, Manuel; Athmanathan, Aravinthan; Krebs, Daniel

2016-01-14

In spite of decades of research, the details of electrical transport in phase-change materials are still debated. In particular, the so-called threshold switching phenomenon that allows the current density to increase steeply when a sufficiently high voltage is applied is still not well understood, even though there is wide consensus that threshold switching is solely of electronic origin. However, the high thermal efficiency and fast thermal dynamics associated with nanoscale phase-change memory (PCM) devices motivate us to reassess a thermally assisted threshold switching mechanism, at least in these devices. The time/temperature dependence of the threshold switching voltage and current inmore » doped Ge{sub 2}Sb{sub 2}Te{sub 5} nanoscale PCM cells was measured over 6 decades in time at temperatures ranging from 40 °C to 160 °C. We observe a nearly constant threshold switching power across this wide range of operating conditions. We also measured the transient dynamics associated with threshold switching as a function of the applied voltage. By using a field- and temperature-dependent description of the electrical transport combined with a thermal feedback, quantitative agreement with experimental data of the threshold switching dynamics was obtained using realistic physical parameters.« less

Molecular modeling of polycarbonate materials: Glass transition and mechanical properties

NASA Astrophysics Data System (ADS)

Palczynski, Karol; Wilke, Andreas; Paeschke, Manfred; Dzubiella, Joachim

2017-09-01

Linking the experimentally accessible macroscopic properties of thermoplastic polymers to their microscopic static and dynamic properties is a key requirement for targeted material design. Classical molecular dynamics simulations enable us to study the structural and dynamic behavior of molecules on microscopic scales, and statistical physics provides a framework for relating these properties to the macroscopic properties. We take a first step toward creating an automated workflow for the theoretical prediction of thermoplastic material properties by developing an expeditious method for parameterizing a simple yet surprisingly powerful coarse-grained bisphenol-A polycarbonate model which goes beyond previous coarse-grained models and successfully reproduces the thermal expansion behavior, the glass transition temperature as a function of the molecular weight, and several elastic properties.

Dynamic Snap-Through of Thin-Walled Structures by a Reduced Order Method

NASA Technical Reports Server (NTRS)

Przekop, Adam; Rizzi, Stephen A.

2006-01-01

The goal of this investigation is to further develop nonlinear modal numerical simulation methods for application to geometrically nonlinear response of structures exposed to combined high intensity random pressure fluctuations and thermal loadings. The study is conducted on a flat aluminum beam, which permits a comparison of results obtained by a reduced-order analysis with those obtained from a numerically intensive simulation in physical degrees-of-freedom. A uniformly distributed thermal loading is first applied to investigate the dynamic instability associated with thermal buckling. A uniformly distributed random loading is added to investigate the combined thermal-acoustic response. In the latter case, three types of response characteristics are considered, namely: (i) small amplitude vibration around one of the two stable buckling equilibrium positions, (ii) intermittent snap-through response between the two equilibrium positions, and (iii) persistent snap-through response between the two equilibrium positions. For the reduced order analysis, four categories of modal basis functions are identified including those having symmetric transverse (ST), anti-symmetric transverse (AT), symmetric in-plane (SI), and anti-symmetric in-plane (AI) displacements. The effect of basis selection on the quality of results is investigated for the dynamic thermal buckling and combined thermal-acoustic response. It is found that despite symmetric geometry, loading, and boundary conditions, the AT and SI modes must be included in the basis as they participate in the snap-through behavior.

Diffusion of GPI-anchored proteins is influenced by the activity of dynamic cortical actin

PubMed Central

Saha, Suvrajit; Lee, Il-Hyung; Polley, Anirban; Groves, Jay T.; Rao, Madan; Mayor, Satyajit

2015-01-01

Molecular diffusion at the surface of living cells is believed to be predominantly driven by thermal kicks. However, there is growing evidence that certain cell surface molecules are driven by the fluctuating dynamics of cortical cytoskeleton. Using fluorescence correlation spectroscopy, we measure the diffusion coefficient of a variety of cell surface molecules over a temperature range of 24–37°C. Exogenously incorporated fluorescent lipids with short acyl chains exhibit the expected increase of diffusion coefficient over this temperature range. In contrast, we find that GPI-anchored proteins exhibit temperature-independent diffusion over this range and revert to temperature-dependent diffusion on cell membrane blebs, in cells depleted of cholesterol, and upon acute perturbation of actin dynamics and myosin activity. A model transmembrane protein with a cytosolic actin-binding domain also exhibits the temperature-independent behavior, directly implicating the role of cortical actin. We show that diffusion of GPI-anchored proteins also becomes temperature dependent when the filamentous dynamic actin nucleator formin is inhibited. However, changes in cortical actin mesh size or perturbation of branched actin nucleator Arp2/3 do not affect this behavior. Thus cell surface diffusion of GPI-anchored proteins and transmembrane proteins that associate with actin is driven by active fluctuations of dynamic cortical actin filaments in addition to thermal fluctuations, consistent with expectations from an “active actin-membrane composite” cell surface. PMID:26378258

Nonlinear dynamic modeling of a V-shaped metal based thermally driven MEMS actuator for RF switches

NASA Astrophysics Data System (ADS)

Bakri-Kassem, Maher; Dhaouadi, Rached; Arabi, Mohamed; Estahbanati, Shahabeddin V.; Abdel-Rahman, Eihab

2018-05-01

In this paper, we propose a new dynamic model to describe the nonlinear characteristics of a V-shaped (chevron) metallic-based thermally driven MEMS actuator. We developed two models for the thermal actuator with two configurations. The first MEMS configuration has a small tip connected to the shuttle, while the second configuration has a folded spring and a wide beam attached to the shuttle. A detailed finite element model (FEM) and a lumped element model (LEM) are proposed for each configuration to completely characterize the electro-thermal and thermo-mechanical behaviors. The nonlinear resistivity of the polysilicon layer is extracted from the measured current-voltage (I-V) characteristics of the actuator and the simulated corresponding temperatures in the FEM model, knowing the resistivity of the polysilicon at room temperature from the manufacture’s handbook. Both developed models include the nonlinear temperature-dependent material properties. Numerical simulations in comparison with experimental data using a dedicated MEMS test apparatus verify the accuracy of the proposed LEM model to represent the complex dynamics of the thermal MEMS actuator. The LEM and FEM simulation results show an accuracy ranging from a maximum of 13% error down to a minimum of 1.4% error. The actuator with the lower thermal load to air that includes a folded spring (FS), also known as high surface area actuator is compared to the actuator without FS, also known as low surface area actuator, in terms of the I-V characteristics, power consumption, and experimental static and dynamic responses of the tip displacement.

Thermalization and prethermalization in isolated quantum systems: a theoretical overview

NASA Astrophysics Data System (ADS)

Mori, Takashi; Ikeda, Tatsuhiko N.; Kaminishi, Eriko; Ueda, Masahito

2018-06-01

The approach to thermal equilibrium, or thermalization, in isolated quantum systems is among the most fundamental problems in statistical physics. Recent theoretical studies have revealed that thermalization in isolated quantum systems has several remarkable features, which emerge from quantum entanglement and are quite distinct from those in classical systems. Experimentally, well isolated and highly controllable ultracold quantum gases offer an ideal testbed to study the nonequilibrium dynamics in isolated quantum systems, promoting intensive recent theoretical endeavors on this fundamental subject. Besides thermalization, many isolated quantum systems show intriguing behavior in relaxation processes, especially prethermalization. Prethermalization occurs when there is a clear separation of relevant time scales and has several different physical origins depending on individual systems. In this review, we overview theoretical approaches to the problems of thermalization and prethermalization.

Deviation from the law of energy equipartition in a small dynamic-random-access memory

NASA Astrophysics Data System (ADS)

Carles, Pierre-Alix; Nishiguchi, Katsuhiko; Fujiwara, Akira

2015-06-01

A small dynamic-random-access memory (DRAM) coupled with a high charge sensitivity electrometer based on a silicon field-effect transistor is used to study the law of equipartition of energy. By statistically analyzing the movement of single electrons in the DRAM at various temperature and voltage conditions in thermal equilibrium, we are able to observe a behavior that differs from what is predicted by the law of equipartition energy: when the charging energy of the capacitor of the DRAM is comparable to or smaller than the thermal energy kBT/2, random electron motion is ruled perfectly by thermal energy; on the other hand, when the charging energy becomes higher in relation to the thermal energy kBT/2, random electron motion is suppressed which indicates a deviation from the law of equipartition of energy. Since the law of equipartition is analyzed using the DRAM, one of the most familiar devices, we believe that our results are perfectly universal among all electronic devices.

Anisotropic thermal conductivity in carbon honeycomb

NASA Astrophysics Data System (ADS)

Chen, Xue-Kun; Liu, Jun; Du, Dan; Xie, Zhong-Xiang; Chen, Ke-Qiu

2018-04-01

Carbon honeycomb, a new kind of 3D carbon allotrope experimentally synthesized recently, has received much attention for its fascinating applications in electronic device and energy storage. In the present work, we perform equilibrium molecular dynamics (EMD) to study the thermal transport properties of carbon honeycombs with different chirality. It is found that the thermal conductivity along the honeycomb axis ({κx} ) is three times larger than that normal to the axis ({κz} ), which shows strong anisotropy reflecting their geometric anisotropy. Lattice dynamics calculations reveal that this anisotropy stems from the orientation-dependent phonon group velocities. Moreover, when ambient temperature (T ) increases from 200 K to 800 K, the {{T}-1} dependence of κ is observed due to the enhanced Umklapp scattering. The detailed phonon spectra analyses indicate phonon group velocities are insensitive to the variation of ambient temperature, and the temperature dependence of the relaxation times of low-frequency phonons (<20 THz) follows ∼ {{T}-1} behavior. Our results have a certain guiding significance to develop carbon honeycomb for effective thermal channeling devices.

Large-k exciton dynamics in GaN epilayers: Nonthermal and thermal regimes

NASA Astrophysics Data System (ADS)

Vinattieri, Anna; Bogani, Franco; Cavigli, Lucia; Manzi, Donatella; Gurioli, Massimo; Feltin, Eric; Carlin, Jean-François; Martin, Denis; Butté, Raphaël; Grandjean, Nicolas

2013-02-01

We present a detailed investigation performed at low temperature (T<50 K) concerning the exciton dynamics in GaN epilayers grown on c-plane sapphire substrates, focusing on the exciton formation and the transition from the nonthermal to the thermal regime. The time-resolved kinetics of longitudinal-optical-phonon replicas is used to address the energy relaxation in the excitonic band. From picosecond time-resolved spectra, we bring evidence for a long lasting nonthermal excitonic distribution, which accounts for the first 50 ps. Such a behavior is confirmed in different experimental conditions when both nonresonant and resonant excitations are used. At low excitation power density, the exciton formation and their subsequent thermalization are dominated by impurity scattering rather than by acoustic phonon scattering. The estimate of the average energy of the excitons as a function of delay after the excitation pulse provides information on the relaxation time, which describes the evolution of the exciton population to the thermal regime.

Temperature Dependence of the Thermal Conductivity of Single Wall Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Osman, Mohamed A.; Srivastava, Deepak

2000-01-01

The thermal conductivity of several single wall carbon nanotubes (CNT) has been calculated over a temperature range of 100-500 K using molecular dynamics simulations with Tersoff-Brenner potential for C-C interactions. In all cases, starting from similar values at 100K, thermal conductivities show a peaking behavior before falling off at higher temperatures. The peak position shifts to higher temperatures for nanotubes of larger diameter, and no significant dependence on the tube chirality is observed. It is shown that this phenomenon is due to onset of Umklapp scattering, which shifts to higher temperatures for nanotubes of larger diameter.

Investigation of atypical molten pool dynamics in tungsten carbide-cobalt during laser deposition using in-situ thermal imaging

NASA Astrophysics Data System (ADS)

Xiong, Yuhong; Hofmeister, William H.; Smugeresky, John E.; Delplanque, Jean-Pierre; Schoenung, Julie M.

2012-01-01

An atypical "swirling" phenomenon observed during the laser deposition of tungsten carbide-cobalt cermets by laser engineered net shaping (LENS®) was studied using in-situ high-speed thermal imaging. To provide fundamental insight into this phenomenon, the thermal behavior of pure cobalt during LENS was also investigated for comparison. Several factors were considered as the possible source of the observed differences. Of those, phase difference, material emissivity, momentum transfer, and free surface disruption from the powder jets, and, to a lesser extent, Marangoni convection were identified as the relevant mechanisms.

Scaling universality at the dynamic vortex Mott transition

DOE PAGES

Lankhorst, M.; Poccia, N.; Stehno, M. P.; ...

2018-01-17

The cleanest way to observe a dynamic Mott insulator-to-metal transition (DMT) without the interference from disorder and other effects inherent to electronic and atomic systems, is to employ the vortex Mott states formed by superconducting vortices in a regular array of pinning sites. Here, we report the critical behavior of the vortex system as it crosses the DMT line, driven by either current or temperature. We find universal scaling with respect to both, expressed by the same scaling function and characterized by a single critical exponent coinciding with the exponent for the thermodynamic Mott transition. We develop a theory formore » the DMT based on the parity reflection-time reversal (PT) symmetry breaking formalism and find that the nonequilibrium-induced Mott transition has the same critical behavior as the thermal Mott transition. Our findings demonstrate the existence of physical systems in which the effect of a nonequilibrium drive is to generate an effective temperature and hence the transition belonging in the thermal universality class.« less

Scaling universality at the dynamic vortex Mott transition

NASA Astrophysics Data System (ADS)

Lankhorst, M.; Poccia, N.; Stehno, M. P.; Galda, A.; Barman, H.; Coneri, F.; Hilgenkamp, H.; Brinkman, A.; Golubov, A. A.; Tripathi, V.; Baturina, T. I.; Vinokur, V. M.

2018-01-01

The cleanest way to observe a dynamic Mott insulator-to-metal transition (DMT) without the interference from disorder and other effects inherent to electronic and atomic systems, is to employ the vortex Mott states formed by superconducting vortices in a regular array of pinning sites. Here, we report the critical behavior of the vortex system as it crosses the DMT line, driven by either current or temperature. We find universal scaling with respect to both, expressed by the same scaling function and characterized by a single critical exponent coinciding with the exponent for the thermodynamic Mott transition. We develop a theory for the DMT based on the parity reflection-time reversal (P T ) symmetry breaking formalism and find that the nonequilibrium-induced Mott transition has the same critical behavior as the thermal Mott transition. Our findings demonstrate the existence of physical systems in which the effect of a nonequilibrium drive is to generate an effective temperature and hence the transition belonging in the thermal universality class.

Thermal treatment of the minority game

NASA Astrophysics Data System (ADS)

Burgos, E.; Ceva, Horacio; Perazzo, R. P.

2002-03-01

We study a cost function for the aggregate behavior of all the agents involved in the minority game (MG) or the bar attendance model (BAM). The cost function allows us to define a deterministic, synchronous dynamic that yields results that have the main relevant features than those of the probabilistic, sequential dynamics used for the MG or the BAM. We define a temperature through a Langevin approach in terms of the fluctuations of the average attendance. We prove that the cost function is an extensive quantity that can play the role of an internal energy of the many-agent system while the temperature so defined is an intensive parameter. We compare the results of the thermal perturbation to the deterministic dynamics and prove that they agree with those obtained with the MG or BAM in the limit of very low temperature.

Thermal treatment of the minority game.

PubMed

Burgos, E; Ceva, Horacio; Perazzo, R P J

2002-03-01

We study a cost function for the aggregate behavior of all the agents involved in the minority game (MG) or the bar attendance model (BAM). The cost function allows us to define a deterministic, synchronous dynamic that yields results that have the main relevant features than those of the probabilistic, sequential dynamics used for the MG or the BAM. We define a temperature through a Langevin approach in terms of the fluctuations of the average attendance. We prove that the cost function is an extensive quantity that can play the role of an internal energy of the many-agent system while the temperature so defined is an intensive parameter. We compare the results of the thermal perturbation to the deterministic dynamics and prove that they agree with those obtained with the MG or BAM in the limit of very low temperature.

The dynamic behavior and compliance of a stream of cavitating bubbles.

NASA Technical Reports Server (NTRS)

Brennen, C.

1973-01-01

Study of the dynamic response of streams of cavitating bubbles to imposed pressure fluctuations to determine the role played by turbopump cavitation in the POGO instability of liquid rockets. Both quasi-static and more general linearized dynamic analyses are made of the perturbations to a cavitating flow through a region of reduced pressure in which the bubbles first grow and then collapse. The results, when coupled with typical bubble number density distribution functions, yield compliances which compare favorably with the existing measurements. Since the fluids involved are frequently cryogenic, a careful examination was made of the thermal effects both on the mean flow and on the perturbations. As a result, the discrepancy between theory and experiment for particular engines could be qualitatively ascribed to reductions in the compliance caused either by these thermal effects or by relatively high reduced frequencies.

Coupling of TRAC-PF1/MOD2, Version 5.4.25, with NESTLE

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

Knepper, P.L.; Hochreiter, L.E.; Ivanov, K.N.

1999-09-01

A three-dimensional (3-D) spatial kinetics capability within a thermal-hydraulics system code provides a more correct description of the core physics during reactor transients that involve significant variations in the neutron flux distribution. Coupled codes provide the ability to forecast safety margins in a best-estimate manner. The behavior of a reactor core and the feedback to the plant dynamics can be accurately simulated. For each time step, coupled codes are capable of resolving system interaction effects on neutronics feedback and are capable of describing local neutronics effects caused by the thermal hydraulics and neutronics coupling. With the improvements in computational technology,more » modeling complex reactor behaviors with coupled thermal hydraulics and spatial kinetics is feasible. Previously, reactor analysis codes were limited to either a detailed thermal-hydraulics model with simplified kinetics or multidimensional neutron kinetics with a simplified thermal-hydraulics model. The authors discuss the coupling of the Transient Reactor Analysis Code (TRAC)-PF1/MOD2, Version 5.4.25, with the NESTLE code.« less

Dynamic behavior of cellular materials and cellular structures: Experiments and modeling

NASA Astrophysics Data System (ADS)

Gao, Ziyang

Cellular solids, including cellular materials and cellular structures (CMS), have attracted people's great interests because of their low densities and novel physical, mechanical, thermal, electrical and acoustic properties. They offer potential for lightweight structures, energy absorption, thermal management, etc. Therefore, the studies of cellular solids have become one of the hottest research fields nowadays. From energy absorption point of view, any plastically deformed structures can be divided into two types (called type I and type II), and the basic cells of the CMS may take the configurations of these two types of structures. Accordingly, separated discussions are presented in this thesis. First, a modified 1-D model is proposed and numerically solved for a typical type II structure. Good agreement is achieved with the previous experimental data, hence is used to simulate the dynamic behavior of a type II chain. Resulted from different load speeds, interesting collapse modes are observed, and the parameters which govern the cell's post-collapse behavior are identified through a comprehensive non-dimensional analysis on general cellular chains. Secondly, the MHS specimens are chosen as an example of type I foam materials because of their good uniformity of the cell geometry. An extensive experimental study was carried out, where more attention was paid to their responses to dynamic loadings. Great enhancement of the stress-strain curve was observed in dynamic cases, and the energy absorption capacity is found to be several times higher than that of the commercial metal foams. Based on the experimental study, finite elemental simulations and theoretical modeling are also conducted, achieving good agreements and demonstrating the validities of those models. It is believed that the experimental, numerical and analytical results obtained in the present study will certainly deepen the understanding of the unsolved fundamental issues on the mechanical behavior of cellular solids and make substantial contributions to the theoretical advance of impact dynamics.

Comparison between different adsorption-desorption kinetics schemes in two dimensional lattice gas

NASA Astrophysics Data System (ADS)

Huespe, V. J.; Belardinelli, R. E.; Pereyra, V. D.; Manzi, S. J.

2017-12-01

Monte Carlo simulation is used to study the adsorption-desorption kinetics in the framework of the kinetic lattice-gas model. Three schemes of the so-called hard dynamics and five schemes of the so called soft dynamics were used for this purpose. It is observed that for the hard dynamic schemes, the equilibrium and non-equilibrium observable, such as adsorption isotherms, sticking coefficients, and thermal desorption spectra, have a normal or physical sustainable behavior. While for the soft dynamics schemes, with the exception of the transition state theory, the equilibrium and non-equilibrium observables have several problems.

The Effect of an Isogrid on Cryogenic Propellant Behavior and Thermal Stratification

NASA Technical Reports Server (NTRS)

Oliveira, Justin; Kirk, Daniel R.; Chintalapati, Sunil; Schallhorn, Paul A.; Piquero, Jorge L.; Campbell, Mike; Chase, Sukhdeep

2007-01-01

All models for thermal stratification available in the presentation are derived using smooth, flat plate laminar and turbulent boundary layer models. This study examines the effect of isogrid (roughness elements) on the surface of internal tank walls to mimic the effects of weight-saving isogrid, which is located on the inside of many rocket propellant tanks. Computational Fluid Dynamics (CFD) is used to study the momentum and thermal boundary layer thickness for free convection flows over a wall with generic roughness elements. This presentation makes no mention of actual isogrid sizes or of any specific tank geometry. The magnitude of thermal stratification is compared for smooth and isogrid-lined walls.

Nonlinear dynamic response of a uni-directional model for the tile/pad space shuttle thermal protection system

NASA Technical Reports Server (NTRS)

Housner, J. M.; Edighoffer, H. H.; Park, K. C.

1980-01-01

A unidirectional analysis of the nonlinear dynamic behavior of the space shuttle tile/pad thermal protection system is developed and examined for imposed sinusoidal and random motions of the shuttle skin and/or applied tile pressure. The analysis accounts for the highly nonlinear stiffening hysteresis and viscous behavior of the pad which joins the tile to the shuttle skin. Where available, experimental data are used to confirm the validity of the analysis. Both analytical and experimental studies reveal that the system resonant frequency is very high for low amplitude oscillations but decreases rapidly to a minimum value with increasing amplitude. Analytical studies indicate that with still higher amplitude the resonant frequency increases slowly. The nonlinear pad is also responsible for the analytically and experimentally observed distorted response wave shapes having high sharp peaks when the system is subject to sinusoidal loads. Furthermore, energy dissipation in the pad is studied analytically and it is found that the energy dissipated is sufficiently high to cause rapid decay of dynamic transients. Nevertheless, the sharp peaked nonlinear responses of the system lead to higher magnification factors than would be expected in such a highly damped linear system.

Prediction of Thermal Transport Properties of Materials with Microstructural Complexity

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

Chen, Youping

This project aims at overcoming the major obstacle standing in the way of progress in dynamic multiscale simulation, which is the lack of a concurrent atomistic-continuum method that allows phonons, heat and defects to pass through the atomistic-continuum interface. The research has led to the development of a concurrent atomistic-continuum (CAC) methodology for multiscale simulations of materials microstructural, mechanical and thermal transport behavior. Its efficacy has been tested and demonstrated through simulations of dislocation dynamics and phonon transport coupled with microstructural evolution in a variety of materials and through providing visual evidences of the nature of phonon transport, such asmore » showing the propagation of heat pulses in single and polycrystalline solids is partially ballistic and partially diffusive. In addition to providing understanding on phonon scattering with phase interface and with grain boundaries, the research has contributed a multiscale simulation tool for understanding of the behavior of complex materials and has demonstrated the capability of the tool in simulating the dynamic, in situ experimental studies of nonequilibrium transient transport processes in material samples that are at length scales typically inaccessible by atomistically resolved methods.« less

In vivo dynamical behavior of yeast chromatin modeled as an entangled polymer network with constraint release

NASA Astrophysics Data System (ADS)

Wang, Chenxi; Kilfoil, Maria L.

2013-03-01

The high fidelity segregation of chromatin is the central problem in cell mitosis. The role of mechanics underlying this, however, is undetermined. Work in this area has largely focused on cytoskeletal elements of the process. Preliminary work in our lab suggests the mechanical properties of chromatin are fundamental in this process. Nevertheless, the mechanical properties of chromatin in the cellular context are not well-characterized. For better understanding of the role of mechanics in this cellular process, and of the chromatin mechanics in vivo generally, a systematic dynamical description of chromatin in vivo is required. Accordingly, we label specific sites on chromatin with fluorescent proteins of different wave lengths, enabling us to detect multiple spots separately in 3D and track their displacements in time inside living yeast cells. We analyze the pairwise cross-correlated motion between spots as a function of relative distance along the DNA contour. Comparison between the reptation model and our data serves to test our conjecture that chromatin in the cell is basically an entangled polymer network under constraints to thermal motion, and removal of constraints by non-thermal cellular processes is expected to affect its dynamic behavior.

Avian Incubation Patterns Reflect Temporal Changes in Developing Clutches

PubMed Central

2013-01-01

Incubation conditions for eggs influence offspring quality and reproductive success. One way in which parents regulate brooding conditions is by balancing the thermal requirements of embryos with time spent away from the nest for self-maintenance. Age related changes in embryo thermal tolerance would thus be expected to shape parental incubation behavior. We use data from unmanipulated Black-capped Chickadee (Poecile atricapillus) nests to examine the temporal dynamics of incubation, testing the prediction that increased heat flux from eggs as embryos age influences female incubation behavior and/or physiology to minimize temperature fluctuations. We found that the rate of heat loss from eggs increased with embryo age. Females responded to increased egg cooling rates by altering incubation rhythms (more frequent, shorter on- and off- bouts), but not brood patch temperature. Consequently, as embryos aged, females were able to increase mean egg temperature and decrease variation in temperature. Our findings highlight the need to view full incubation as more than a static rhythm; rather, it is a temporally dynamic and finely adjustable parental behavior. Furthermore, from a methodological perspective, intra- and inter-specific comparisons of incubation rhythms and average egg temperatures should control for the stage of incubation. PMID:23840339

Constitutive modeling of the mechanical behavior of high strength ferritic steels for static and dynamic applications

NASA Astrophysics Data System (ADS)

Abed, Farid H.

2010-11-01

A constitutive relation is presented in this paper to describe the plastic behavior of ferritic steel over a broad range of temperatures and strain rates. The thermo-mechanical behavior of high strength low alloy (HSLA-65) and DH-63 naval structural steels is considered in this study at strains over 40%. The temperatures and strain rates are considered in the range where dynamic strain aging is not effective. The concept of thermal activation analysis as well as the dislocation interaction mechanism is used in developing the flow model for both the isothermal and adiabatic viscoplastic deformation. The flow stresses of the two steels are very sensitive to temperature and strain rate, the yield stresses increase with decreasing temperatures and increasing strain rates. That is, the thermal flow stress is mainly captured by the yield stresses while the hardening stresses are totally pertained to the athermal component of the flow stress. The proposed constitutive model predicts results that compare very well with the measured ones at initial temperature range of 77 K to 1000 K and strain rates between 0.001 s-1 and 8500 s-1 for both steels.

Measurements of observables during detonator function

NASA Astrophysics Data System (ADS)

Smilowitz, Laura; Henson, Bryan; Remelius, Dennis

Thermal explosion and detonation are two phenomena which can both occur as the response of explosives to thermal or mechanical insults. Thermal explosion is typically considered in the safety envelope and detonation is considered in the performance regime of explosive behavior. However, the two regimes are tied together by a phenomenon called deflagration to detonation transition (DDT). In this talk, I will discuss experiments on commercial detonators aimed at understanding the mechanism for energy release during detonator function. Diagnostic development towards measuring temperature, pressure, and density during the extreme conditions and time scales of detonation will be discussed. Our current ability to perform table-top dynamic radiography on functioning detonators will be described. Dynamic measurements of temperature, pressure, and density will be shown and discussion of the function of a detonator will be given in terms of our current understanding of deflagration, detonation, and the transition between the two.

Acoustic testing of high temperature panels

NASA Technical Reports Server (NTRS)

Leatherwood, Jack D.; Clevenson, Sherman A.; Powell, Clemans A.; Daniels, Edward F.

1990-01-01

Results are presented of a series of thermal-acoustic tests conducted on the NASA Langley Research Center Thermal-Acoustic Test Apparatus to (1) investigate techniques for obtaining strain measurements on metallic and carbon-carbon materials at elevated temperature; (2) document the dynamic strain response characteristics of several superalloy honeycomb thermal protection system panels at elevated temperatures of up to 1200 F; and (3) determine the strain response and sonic fatigue behavior of four carbon-carbon panels at both ambient and elevated temperatures. A second study tested four carbon-carbon panels to document panel dynamic response characteristics at ambient and elevated temperature, determine time to failure and faliure modes, and collect continuous strain data up to panel failure. Strain data are presented from both types of panels, and problems encountered in obtaining reliable strain data on the carbon-carbon panels are described. The failure modes of the carbon-carbon panels are examined.

Clinical Applications of Stochastic Dynamic Models of the Brain, Part I: A Primer.

PubMed

Roberts, James A; Friston, Karl J; Breakspear, Michael

2017-04-01

Biological phenomena arise through interactions between an organism's intrinsic dynamics and stochastic forces-random fluctuations due to external inputs, thermal energy, or other exogenous influences. Dynamic processes in the brain derive from neurophysiology and anatomical connectivity; stochastic effects arise through sensory fluctuations, brainstem discharges, and random microscopic states such as thermal noise. The dynamic evolution of systems composed of both dynamic and random effects can be studied with stochastic dynamic models (SDMs). This article, Part I of a two-part series, offers a primer of SDMs and their application to large-scale neural systems in health and disease. The companion article, Part II, reviews the application of SDMs to brain disorders. SDMs generate a distribution of dynamic states, which (we argue) represent ideal candidates for modeling how the brain represents states of the world. When augmented with variational methods for model inversion, SDMs represent a powerful means of inferring neuronal dynamics from functional neuroimaging data in health and disease. Together with deeper theoretical considerations, this work suggests that SDMs will play a unique and influential role in computational psychiatry, unifying empirical observations with models of perception and behavior. Copyright © 2017 Society of Biological Psychiatry. Published by Elsevier Inc. All rights reserved.

Thermal evolution behavior and fluid dynamics during laser additive manufacturing of Al-based nanocomposites: Underlying role of reinforcement weight fraction

NASA Astrophysics Data System (ADS)

Gu, Dongdong; Yuan, Pengpeng

2015-12-01

In this study, a three-dimensional transient computational fluid dynamics model was established to investigate the influence of reinforcement weight fraction on thermal evolution behavior and fluid dynamics during selective laser melting (SLM) additive manufacturing of TiC/AlSi10Mg nanocomposites. The powder-to-solid transition and nonlinear variation of thermal physical properties of as-used materials were considered in the numerical model, using the Gaussian distributed volumetric heat source. The simulation results showed that the increase of operating temperature and the resultant formation of larger melt pool were caused by the increase of weight fraction of reinforcement. The Marangoni convection was intensified using a larger reinforcement content, accelerating the coupled motion of fluid and solid particles. The circular flows appeared when the TiC content reached 5.0 wt. % and the larger-sized circular flows were present as the reinforcement content increased to 7.5 wt. %. The experimental study on surface morphologies and microstructures on the polished sections of SLM-processed TiC/AlSi10Mg nanocomposite parts was performed. A considerably dense and smooth surface free of any balling effect and pore formation was obtained when the reinforcement content was optimized at 5.0 wt. %, due to the sufficient liquid formation and moderate Marangoni flow. Novel ring-structured reinforcing particulates were tailored because of the combined action of the attractive effect of centripetal force and repulsive force, which was consistent with the simulation results.

Lattice constants of pure methane and carbon dioxide hydrates at low temperatures. Implementing quantum corrections to classical molecular dynamics studies

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

Costandy, Joseph; Michalis, Vasileios K.; Economou, Ioannis G., E-mail: i.tsimpanogiannis@qatar.tamu.edu, E-mail: ioannis.economou@qatar.tamu.edu

2016-03-28

We introduce a simple correction to the calculation of the lattice constants of fully occupied structure sI methane or carbon dioxide pure hydrates that are obtained from classical molecular dynamics simulations using the TIP4PQ/2005 water force field. The obtained corrected lattice constants are subsequently used in order to obtain isobaric thermal expansion coefficients of the pure gas hydrates that exhibit a trend that is significantly closer to the experimental behavior than previously reported classical molecular dynamics studies.

Fluid Dynamics for Physicists

NASA Astrophysics Data System (ADS)

Faber, T. E.

1995-08-01

This textbook provides an accessible and comprehensive account of fluid dynamics that emphasizes fundamental physical principles and stresses connections with other branches of physics. Beginning with a basic introduction, the book goes on to cover many topics not typically treated in texts, such as compressible flow and shock waves, sound attenuation and bulk viscosity, solitary waves and ship waves, thermal convection, instabilities, turbulence, and the behavior of anisotropic, non-Newtonian and quantum fluids. Undergraduate or graduate students in physics or engineering who are taking courses in fluid dynamics will find this book invaluable.

Effect of Greenhouse Gases Dissolved in Seawater

PubMed Central

Matsunaga, Shigeki

2015-01-01

A molecular dynamics simulation has been performed on the greenhouse gases carbon dioxide and methane dissolved in a sodium chloride aqueous solution, as a simple model of seawater. A carbon dioxide molecule is also treated as a hydrogen carbonate ion. The structure, coordination number, diffusion coefficient, shear viscosity, specific heat, and thermal conductivity of the solutions have been discussed. The anomalous behaviors of these properties, especially the negative pressure dependence of thermal conductivity, have been observed in the higher-pressure region. PMID:26729101

Effect of Greenhouse Gases Dissolved in Seawater.

PubMed

Matsunaga, Shigeki

2015-12-30

A molecular dynamics simulation has been performed on the greenhouse gases carbon dioxide and methane dissolved in a sodium chloride aqueous solution, as a simple model of seawater. A carbon dioxide molecule is also treated as a hydrogen carbonate ion. The structure, coordination number, diffusion coefficient, shear viscosity, specific heat, and thermal conductivity of the solutions have been discussed. The anomalous behaviors of these properties, especially the negative pressure dependence of thermal conductivity, have been observed in the higher-pressure region.

Dynamics of isolated quantum systems: many-body localization and thermalization

NASA Astrophysics Data System (ADS)

Torres-Herrera, E. Jonathan; Tavora, Marco; Santos, Lea F.

2016-05-01

We show that the transition to a many-body localized phase and the onset of thermalization can be inferred from the analysis of the dynamics of isolated quantum systems taken out of equilibrium abruptly. The systems considered are described by one-dimensional spin-1/2 models with static random magnetic fields and by power-law band random matrices. We find that the short-time decay of the survival probability of the initial state is faster than exponential for sufficiently strong perturbations. This initial evolution does not depend on whether the system is integrable or chaotic, disordered or clean. At long-times, the dynamics necessarily slows down and shows a power-law behavior. The value of the power-law exponent indicates whether the system will reach thermal equilibrium or not. We present how the properties of the spectrum, structure of the initial state, and number of particles that interact simultaneously affect the value of the power-law exponent. We also compare the results for the survival probability with those for few-body observables. EJTH aknowledges financial support from PRODEP-SEP and VIEP-BUAP, Mexico.

Variations of Thermal Pressure for Solids along the Principal Hugoniot

NASA Astrophysics Data System (ADS)

Gong, Zizheng; Yu, Hui; Deng, Liwei; Zhang, Li; Yang, Jinke

2006-07-01

The behavior of thermal pressure PTH for all kinds of solid materials was investigated using the lattice dynamics theory up to 500GPa. The results show that for most metals, ionic crystal and minerals, the thermal pressure is approximately independent on volume, whereas the thermal pressure of a few solids has strong dependence on volume. The volume dependence of thermal pressure has no relation with the chemical bonding type and crystal structure of materials, but is correlated with the Debye temperature ΘD and the second Grüneisen parameter q. The ratio of the thermal pressure to the total pressure (PTH /PTotal) along the Hugoniot keeps constant over a wide compression range, not only for non-porous materials but also for porous materials within certain porosity, which could explain the existence of material constant parameter β along solid Hugoniot.

First-principles investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications

DOE PAGES

Hu, S. X.; Collins, Lee A.; Goncharov, V. N.; ...

2016-04-14

Using quantum molecular-dynamics (QMD) methods based on the density functional theory, we have performed first-principles investigations on the ionization and thermal conductivity of polystyrene (CH) over a wide range of plasma conditions (ρ = 0.5 to 100 g/cm 3 and T = 15,625 to 500,000 K). The ionization data from orbital-free molecular-dynamics calculations have been fitted with a “Saha-type” model as a function of the CH plasma density and temperature, which exhibits the correct behaviors of continuum lowering and pressure ionization. The thermal conductivities (κ QMD) of CH, derived directly from the Kohn–Sham molecular-dynamics calculations, are then analytically fitted withmore » a generalized Coulomb logarithm [(lnΛ) QMD] over a wide range of plasma conditions. When compared with the traditional ionization and thermal conductivity models used in radiation–hydrodynamics codes for inertial confinement fusion simulations, the QMD results show a large difference in the low-temperature regime in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Furthermore, hydrodynamic simulations of cryogenic deuterium–tritium targets with CH ablators on OMEGA and the National Ignition Facility using the QMD-derived ionization and thermal conductivity of CH have predicted –20% variation in target performance in terms of hot-spot pressure and neutron yield (gain) with respect to traditional model simulations.« less

Investigation of Thermal Expansion Properties of Single Walled Carbon Nanotubes by Raman Spectroscopy and Molecular Dynamics Simulation

NASA Astrophysics Data System (ADS)

Casimir, Daniel

The mechanical properties of nano-sized materials seem to differ significantly from the predicted behavior of their bulk macroscopic counterparts (Smart, 2014, 16). The former tend to be stronger, more malleable and exhibit greater flexibility. The thermal properties of materials have also been shown to be altered significantly after having been shrunken to nanometer dimensions. The nano material that exhibits this peculiar behavior that is studied in this dissertation are single walled carbon nanotubes. Single walled carbon nanotubes are hollow cylindrical tubes that are one atomic layer in thickness and made up of sp2 hybridized carbon atoms. The majority of samples have diameters on the order 1 nm, with lengths ranging from 1 micron to sometimes a centimeter (Tomanek, 2008, v). The thermo-mechanical quantity that I specifically examine in this research is the linear and volume thermal expansion coefficients of SWCNTs. The mean linear thermal expansion coefficient is the ratio of the change in unit length in response to a 1 degree Celsius rise in temperature. The "true" value of this quantity is obtained in the theoretical limit of a vanishing temperature range DeltaT in the ratio stated above. However, this simply stated thermo-mechanical quantity for Carbon Nanotubes still remains a controversial topic, with widespread discrepancies among results of certain magnitudes - such as the temperature at the occurrence of maximum contraction, and at the transition from contraction to expansion. In conclusion, there is much incentive in examining the somewhat controversial variation in the behavior and quoted values of the thermal expansion of these quasi one-dimensional objects. In this study, I examine this important property of single walled carbon nanotubes using Resonant Raman Spectroscopy and Molecular Dynamics Simulation based on the Adaptive Intermolecular Reactive Empirical Bond Order potential. The latter is a well established potential that is well-suited to modeling chemical reactions in condensed hydrocarbons (Stuart, et al., 2000, 6472).

Twin Crystal Induced near Zero Thermal Expansion in SnO2 Nanowires.

PubMed

Zhu, He; Li, Qiang; Yang, Chao; Zhang, Qinghua; Ren, Yang; Gao, Qilong; Wang, Na; Lin, Kun; Deng, Jinxia; Chen, Jun; Gu, Lin; Hong, Jiawang; Xing, Xianran

2018-06-20

Knowledge of controllable thermal expansion is a fundamental issue in the field of materials science and engineering. Direct blocking of the thermal expansions in positive thermal expansion materials is a challenging but fascinating task. Here we report a near zero thermal expansion (ZTE) of SnO 2 achieved from twin crystal nanowires, which is highly correlated to the twin boundaries. Local structural evolutions followed by pair distribution function revealed a remarkable thermal local distortion along the twin boundary. Lattice dynamics investigated by Raman scattering evidenced the hardening of phonon frequency induced by the twin crystal compressing, giving rise to the ZTE of SnO 2 nanowires. Further DFT calculation of Grüneisen parameters confirms the key role of compressive stress on ZTE. Our results provide an insight into the thermal expansion behavior regarding to twin crystal boundaries, which could be beneficial to the applications.

Near-field thermal rectification devices using phase change periodic nanostructure.

PubMed

Ghanekar, Alok; Tian, Yanpei; Ricci, Matthew; Zhang, Sinong; Gregory, Otto; Zheng, Yi

2018-01-22

We theoretically analyze two near-field thermal rectification devices: a radiative thermal diode and a thermal transistor that utilize a phase change material to achieve dynamic control over heat flow by exploiting metal-insulator transition of VO 2 near 341 K. The thermal analogue of electronic diode allows high heat flow in one direction while it restricts the heat flow when the polarity of temperature gradient is reversed. We show that with the introduction of 1-D rectangular grating, thermal rectification is dramatically enhanced in the near-field due to reduced tunneling of surface waves across the interfaces for negative polarity. The radiative thermal transistor also works around phase transition temperature of VO 2 and controls heat flow. We demonstrate a transistor-like behavior wherein heat flow across the source and the drain can be greatly varied by making a small change in gate temperature.

Iron-carbide cluster thermal dynamics for catalyzed carbon nanotube growth

NASA Astrophysics Data System (ADS)

Ding, Feng; Bolton, Kim; Rosén, Arne

2004-07-01

Molecular dynamics simulations have been used to study the thermal behavior of FeN-mCm clusters where N, the total number of atoms, extends up to 2400. Comparison of the computed results with experimental data shows that the simulations yield the correct trends for the liquid-solid region of the iron-carbide phase diagram as well as the correct dependence of cluster melting point as a function of cluster size. The calculation indicates that, when carbon nanotubes (CNTs) are grown on large (>3-4 nm) catalyst particles at low temperatures (<1200 K), the catalyst particles are not completely molten. It is argued that the mechanism of CNT growth under these conditions may be governed by the surface melting of the cluster. .

Strongly enhanced thermal transport in a lightly doped Mott insulator at low temperature.

PubMed

Zlatić, V; Freericks, J K

2012-12-28

We show how a lightly doped Mott insulator has hugely enhanced electronic thermal transport at low temperature. It displays universal behavior independent of the interaction strength when the carriers can be treated as nondegenerate fermions and a nonuniversal "crossover" region where the Lorenz number grows to large values, while still maintaining a large thermoelectric figure of merit. The electron dynamics are described by the Falicov-Kimball model which is solved for arbitrary large on-site correlation with a dynamical mean-field theory algorithm on a Bethe lattice. We show how these results are generic for lightly doped Mott insulators as long as the renormalized Fermi liquid scale is pushed to very low temperature and the system is not magnetically ordered.

Double light-cone dynamics establish thermal states in integrable 1D Bose gases

NASA Astrophysics Data System (ADS)

Langen, T.; Schweigler, T.; Demler, E.; Schmiedmayer, J.

2018-02-01

We theoretically investigate the non-equilibrium dynamics in a quenched pair of one-dimensional Bose gases with density imbalance. We describe the system using its low-energy effective theory, the Luttinger liquid model. In this framework the system shows strictly integrable relaxation dynamics via dephasing of its approximate many-body eigenstates. In the balanced case, this leads to the well-known light-cone-like establishment of a prethermalized state, which can be described by a generalized Gibbs ensemble. In the imbalanced case the integrable dephasing leads to a state that, counter-intuitively, closely resembles a thermal equilibrium state. The approach to this state is characterized by two separate light-cone dynamics with distinct characteristic velocities. This behavior is a result of the fact that in the imbalanced case observables are not aligned with the conserved quantities of the integrable system. We discuss a concrete experimental realization to study this effect using matterwave interferometry and many-body revivals on an atom chip.

Bulk viscosity of the Lennard-Jones fluid for a wide range of states computed by equilibrium molecular dynamics

NASA Astrophysics Data System (ADS)

Hoheisel, C.; Vogelsang, R.; Schoen, M.

1987-12-01

Accurate data for the bulk viscosity ηv have been obtained by molecular dynamics calculations. Many thermodynamic states of the Lennard-Jones fluid were considered. The Green-Kubo integrand of ηv is analyzed in terms of partial correlation functions constituting the total one. These partial functions behave rather differently from those found for the shear viscosity or the thermal conductivity. Generally the total autocorrelation function of ηv shows a steeper initial decay and a more pronounced long time form than those of the shear viscosity or the thermal conductivity. For states near transition to solid phases, like the pseudotriple point of argon, the Green-Kubo integrand of ηv has a significantly longer ranged time behavior than that of the shear viscosity. Hence, for the latter states, a systematic error is expected for ηv using equilibrium molecular dynamics for its computation.

Mantle plumes - A boundary layer approach for Newtonian and non-Newtonian temperature-dependent rheologies. [modeling for island chains and oceanic aseismic ridges

NASA Technical Reports Server (NTRS)

Yuen, D. A.; Schubert, G.

1976-01-01

Stress is placed on the temperature dependence of both a linear Newtonian rheology and a nonlinear olivine rheology in accounting for narrow mantle flow structures. The boundary-layer theory developed incorporates an arbitrary temperature-dependent power-law rheology for the medium, in order to facilitate the study of mantle plume dynamics under real conditions. Thermal, kinematic, and dynamic structures of mantle plumes are modelled by a two-dimensional natural-convection boundary layer rising in a fluid with a temperature-dependent power-law relationship between shear stress and strain rate. An analytic similarity solution is arrived at for upwelling adjacent to a vertical isothermal stress-free plane. Newtonian creep as a deformation mechanism, thermal anomalies resulting from chemical heterogeneity, the behavior of plumes in non-Newtonian (olivine) mantles, and differences in the dynamics of wet and dry olivine are discussed.

Topics in Non-Equilibrium Dynamics and the Emergence of Spacetime

NASA Astrophysics Data System (ADS)

Engelhardt, Dalit

The Anti-de Sitter / Conformal Field Theory (AdS/CFT) correspondence that arises in string theory has had implications for the study of phenomena across a range of subfields in physics, from spacetime geometry to the behavior of condensed matter systems. Two major themes that have featured prominently in these investigations have been the behavior of systems out of equilibrium, and the emergence of spacetime. In this thesis, aspects of these themes are considered and analyzed. The question of equilibration and thermalization in 2D conformal field theories is addressed and refined via a number of observations about local versus global thermalization in such systems, the validity of particular diagnostics of thermalization, the dependence of the equilibration behavior of a conformal field theory on its operator spectrum, and the holographic dual of the generalized Gibbs ensemble that is of interest in studies of equilibration in systems with a large number of conserved quantities. A formalism for analyzing the non-equilibrium dynamics of 1+1-dimensional conformal field theories is discussed, and its physical relevance is motivated with an example connecting such a system to an experimental system that exhibited unusual equilibration behavior. Qualitative agreement is demonstrated between the CFT picture and the experimental observations. The emergence of spacetime geometry from quantum entanglement, while largely a byproduct of considerations from holographic dualities, has also been proposed to have a direct, non-holographic manifestation. Here a particular realization of such a direct emergence is presented through a demonstration that, in the presence of quantum entanglement alone, certain observations of electric fields in the entangled system appear qualitatively the same as the corresponding observations in a physically-connected geometric spacetime, so that the entanglement effectively mimics particular features associated with geometric connectivity.

Thermoregulatory strategies in an aquatic ectotherm from thermally-constrained habitats: An evaluation of current approaches.

PubMed

Piasečná, Karin; Pončová, Alena; Tejedo, Miguel; Gvoždík, Lumír

2015-08-01

Many ectotherms employ diverse behavioral adjustments to effectively buffer the spatio-temporal variation in environmental temperatures, whereas others remain passive to thermal heterogeneity. Thermoregulatory studies are frequently performed on species living in thermally benign habitats, which complicate understanding of the thermoregulation-thermoconformity continuum. The need for new empirical data from ectotherms exposed to thermally challenging conditions requires the evaluation of available methods for quantifying thermoregulatory strategies. We evaluated the applicability of various thermoregulatory indices using fire salamander larvae, Salamandra salamandra, in two aquatic habitats, a forest pool and well, as examples of disparate thermally-constrained environments. Water temperatures in the well were lower and less variable than in the pool. Thermal conditions prevented larvae from reaching their preferred body temperature range in both water bodies. In contrast to their thermoregulatory abilities examined in a laboratory thermal gradient, field body temperatures only matched the mean and range of operative temperatures, showing thermal passivity of larvae in both habitats. Despite apparent thermoconformity, thermoregulatory indices indicated various strategies from active thermoregulation, to thermoconformity, and even thermal evasion, which revealed their limited applicability under thermally-constrained conditions. Salamander larvae abandoned behavioral thermoregulation despite varying opportunities to increase their body temperature above average water temperatures. Thermoconformity represents a favored strategy in these ectotherms living in more thermally-constrained environments than those examined in previous thermoregulatory studies. To understand thermal ecology and its impact on population dynamics, the quantification of thermoregulatory strategies of ectotherms in thermally-constrained habitats requires the careful choice of an appropriate method to avoid misleading results. Copyright © 2015 Elsevier Ltd. All rights reserved.

Structural properties and glass transition in Aln clusters

NASA Astrophysics Data System (ADS)

Sun, D. Y.; Gong, X. G.

1998-02-01

We have studied the structural and dynamical properties of several Aln clusters by the molecular-dynamics method combined with simulated annealing. The well-fitted glue potential is used to describe the interatomic interaction. The obtained atomic structures for n=13, 55, and 147 are in agreement with results from ab initio calculations. Our results have demonstrated that the disordered cluster Al43 can be considered as a glass cluster. The obtained thermal properties of glass cluster Al43 are clearly different from the results for high-symmetry clusters, its melting behavior has properties similar to those of a glass solid. The present studies also show that the surface melting behavior does not exist in the studied Aln clusters.

Dynamics and unfolding pathway of chimeric azurin variants: insights from molecular dynamics simulation.

PubMed

Evoli, Stefania; Guzzi, Rita; Rizzuti, Bruno

2013-10-01

The spectroscopic, thermal, and functional properties of blue copper proteins can be modulated by mutations in the metal binding loop. Molecular dynamics simulation was used to compare the conformational properties of azurin and two chimeric variants, which were obtained by inserting into the azurin scaffold the copper binding loop of amicyanin and plastocyanin, respectively. Simulations at room temperature show that the proteins retain their overall structure and exhibit concerted motions among specific inner regions, as revealed by principal component analysis. Molecular dynamics at high temperature indicates that the first events in the unfolding pathway are structurally similar in the three proteins and unfolding starts from the region of the α-helix that is far from the metal binding loop. The results provide details of the denaturation process that are consistent with experimental data and in close agreement with other computational approaches, suggesting a distinct mechanism of unfolding of azurin and its chimeric variants. Moreover, differences observed in the dynamics of specific regions in the three proteins correlate with their thermal behavior, contributing to the determination of the basic factors that influence the stability.

Sequence Directionality Dramatically Affects LCST Behavior of Elastin-Like Polypeptides.

PubMed

Li, Nan K; Roberts, Stefan; Quiroz, Felipe Garcia; Chilkoti, Ashutosh; Yingling, Yaroslava G

2018-04-30

Elastin-like polypeptides (ELP) exhibit an inverse temperature transition or lower critical solution temperature (LCST) transition phase behavior in aqueous solutions. In this paper, the thermal responsive properties of the canonical ELP, poly(VPGVG), and its reverse sequence poly(VGPVG) were investigated by turbidity measurements of the cloud point behavior, circular dichroism (CD) measurements, and all-atom molecular dynamics (MD) simulations to gain a molecular understanding of mechanism that controls hysteretic phase behavior. It was shown experimentally that both poly(VPGVG) and poly(VGPVG) undergo a transition from soluble to insoluble in aqueous solution upon heating above the transition temperature ( T t ). However, poly(VPGVG) resolubilizes upon cooling below its T t , whereas the reverse sequence, poly(VGPVG), remains aggregated despite significant undercooling below the T t . The results from MD simulations indicated that a change in sequence order results in significant differences in the dynamics of the specific residues, especially valines, which lead to extensive changes in the conformations of VPGVG and VGPVG pentamers and, consequently, dissimilar propensities for secondary structure formation and overall structure of polypeptides. These changes affected the relative hydrophilicities of polypeptides above T t , where poly(VGPVG) is more hydrophilic than poly(VPGVG) with more extended conformation and larger surface area, which led to formation of strong interchain hydrogen bonds responsible for stabilization of the aggregated phase and the observed thermal hysteresis for poly(VGPVG).

The long-run dynamic relationship between exchange rate and its attention index: Based on DCCA and TOP method

NASA Astrophysics Data System (ADS)

Wang, Xuan; Guo, Kun; Lu, Xiaolin

2016-07-01

The behavior information of financial market plays a more and more important role in modern economic system. The behavior information reflected in INTERNET search data has already been used in short-term prediction for exchange rate, stock market return, house price and so on. However, the long-run relationship between behavior information and financial market fluctuation has not been studied systematically. Further, most traditional statistic methods and econometric models could not catch the dynamic and non-linear relationship. An attention index of CNY/USD exchange rate is constructed based on search data from 360 search engine of China in this paper. Then the DCCA and Thermal Optimal Path methods are used to explore the long-run dynamic relationship between CNY/USD exchange rate and the corresponding attention index. The results show that the significant interdependency exists and the change of exchange rate is 1-2 days lag behind the attention index.

Floquet-Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

NASA Astrophysics Data System (ADS)

Kuwahara, Tomotaka; Mori, Takashi; Saito, Keiji

2016-04-01

This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet-Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems.

The evolution of solid density within a thermal explosion II. Dynamic proton radiography of cracking and solid consumption by burning

NASA Astrophysics Data System (ADS)

Smilowitz, L.; Henson, B. F.; Romero, J. J.; Asay, B. W.; Saunders, A.; Merrill, F. E.; Morris, C. L.; Kwiatkowski, K.; Grim, G.; Mariam, F.; Schwartz, C. L.; Hogan, G.; Nedrow, P.; Murray, M. M.; Thompson, T. N.; Espinoza, C.; Lewis, D.; Bainbridge, J.; McNeil, W.; Rightley, P.; Marr-Lyon, M.

2012-05-01

We report proton transmission images obtained subsequent to the laser assisted thermal ignition of a sample of PBX 9501 (a plastic bonded formulation of the explosive nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)). We describe the laser assisted thermal ignition technique as a means to synchronize a non-linear thermal ignition event while preserving the subsequent post-ignition behavior. We have obtained dynamic proton transmission images at two spatial magnifications and viewed both the radial and transverse axis of a solid cylindrical sample encased in aluminum. Images have been obtained with 3 to 15 μs temporal resolution and approximately 100 μm spatial resolution at the higher magnification. We observe case expansion from very early in the experiment, until case fragmentation. We observe spatially anisotropic features in the transmission which we attribute to cracking in the solid explosive, in agreement with previous measurements conducted on two dimensional samples with optical viewing. Digital analysis of the images also reveals spatially isotropic features which we attribute to the evolution of the loss of density by burning subsequent to thermal ignition.

Anisotropic thermal conductivity in carbon honeycomb.

PubMed

Chen, Xue-Kun; Liu, Jun; Du, Dan; Xie, Zhong-Xiang; Chen, Ke-Qiu

2018-04-18

Carbon honeycomb, a new kind of 3D carbon allotrope experimentally synthesized recently, has received much attention for its fascinating applications in electronic device and energy storage. In the present work, we perform equilibrium molecular dynamics (EMD) to study the thermal transport properties of carbon honeycombs with different chirality. It is found that the thermal conductivity along the honeycomb axis ([Formula: see text]) is three times larger than that normal to the axis ([Formula: see text]), which shows strong anisotropy reflecting their geometric anisotropy. Lattice dynamics calculations reveal that this anisotropy stems from the orientation-dependent phonon group velocities. Moreover, when ambient temperature ([Formula: see text]) increases from 200 K to 800 K, the [Formula: see text] dependence of [Formula: see text] is observed due to the enhanced Umklapp scattering. The detailed phonon spectra analyses indicate phonon group velocities are insensitive to the variation of ambient temperature, and the temperature dependence of the relaxation times of low-frequency phonons (<20 THz) follows [Formula: see text] behavior. Our results have a certain guiding significance to develop carbon honeycomb for effective thermal channeling devices.

Thermal analysis of heat storage canisters for a solar dynamic, space power system

NASA Technical Reports Server (NTRS)

Wichner, R. P.; Solomon, A. D.; Drake, J. B.; Williams, P. T.

1988-01-01

A thermal analysis was performed of a thermal energy storage canister of a type suggested for use in a solar receiver for an orbiting Brayton cycle power system. Energy storage for the eclipse portion of the cycle is provided by the latent heat of a eutectic mixture of LiF and CaF2 contained in the canister. The chief motivation for the study is the prediction of vapor void effects on temperature profiles and the identification of possible differences between ground test data and projected behavior in microgravity. The first phase of this study is based on a two-dimensional, cylindrical coordinates model using an interim procedure for describing void behavor in 1-g and microgravity. The thermal analysis includes the effects of solidification front behavior, conduction in liquid/solid salt and canister materials, void growth and shrinkage, radiant heat transfer across the void, and convection in the melt due to Marangoni-induced flow and, in 1-g, flow due to density gradients. A number of significant differences between 1-g and o-g behavior were found. This resulted from differences in void location relative to the maximum heat flux and a significantly smaller effective conductance in 0-g due to the absence of gravity-induced convection.

Thermal degradation of the tensile properties of undirectionally reinforced FP-AI203/EZ 33 magnesium composites

NASA Technical Reports Server (NTRS)

Bhatt, R. T.; Grimes, H. H.

1982-01-01

The effects of isothermal and cyclic exposure on the room temperature axial and transverse tensile strength and dynamic flexural modulus of 35 volume percent and 55 volume percent FP-Al2O3/EZ 33 magnesium composites were studied. The composite specimens were continuously heated in a sand bath maintained at 350 C for up to 150 hours or thermally cycled between 50 and 250 C or 50 and 350 C for up to 3000 cycles. Each thermal cycle lasted for a total of six minutes with a hold time of two minutes at the maximum temperature. Results indicate to significant loss in the room temperature axial tensile strength and dynamic flexural modulus of composites thermally cycled between 50 and 250 C or of composites isothermally heated at 350 C for up to 150 hours from the strength and modulus data for the untreated, as fabricated composites. In contrast, thermal cycling between 50 and 350 C caused considerable loss in both room temperature strength and modulus. Fractographic analysis and measurement of composite transverse strength and matrix hardness of thermally cycled and isothermally heated composites indicated matrix softening and fiber/matrix debonding due to void growth at the interface and matrix cracking as the likely causes of the strength and modulus loss behavior.

Comparing contribution of flexural and planar modes to thermodynamic properties

NASA Astrophysics Data System (ADS)

Mann, Sarita; Rani, Pooja; Jindal, V. K.

2017-05-01

Graphene, the most studied and explored 2D structure has unusual thermal properties such as negative thermal expansion, high thermal conductivity etc. We have already studied the thermal expansion behavior and various thermodynamic properties of pure graphene like heat capacity, entropy and free energy. The results of thermal expansion and various thermodynamic properties match well with available theoretical studies. For a deeper understanding of these properties, we analyzed the contribution of each phonon branch towards the total value of the individual property. To compute these properties, the dynamical matrix was calculated using VASP code where the density functional perturbation theory (DFPT) is employed under quasi-harmonic approximation in interface with phonopy code. It is noticed that transverse mode has major contribution to negative thermal expansion and all branches have almost same contribution towards the various thermodynamic properties with the contribution of ZA mode being the highest.

Very high elevation water ice clouds on Mars: Their morphology and temporal behavior

NASA Technical Reports Server (NTRS)

Jaquin, Fred

1988-01-01

Quantitative analysis of Viking images of the martian planetary limb has uncovered the existence and temporal behavior of water ice clouds that form between 50 and 90 km elevation. These clouds show a seasonal behavior that may be correlated with lower atmosphere dynamics. Enhanced vertical mixing of the atmosphere as Mars nears perihelion is hypothesized as the cause of the seasonal dependence, and the diurnal dependence is explained by the temporal behavior of the martian diurnal thermal tide. Viking images also provide a data set of the vertical distribution of aerosols in the martian atmosphere. The temporal and spatial distribution of aerosols are characterized.

Pseudothermalization in driven-dissipative non-Markovian open quantum systems

NASA Astrophysics Data System (ADS)

Lebreuilly, José; Chiocchetta, Alessio; Carusotto, Iacopo

2018-03-01

We investigate a pseudothermalization effect, where an open quantum system coupled to a nonequilibrated environment consisting of several non-Markovian reservoirs presents an emergent thermal behavior. This thermal behavior is visible at both static and dynamical levels and the system satisfies the fluctuation-dissipation theorem. Our analysis is focused on the exactly solvable model of a weakly interacting driven-dissipative Bose gas in presence of frequency-dependent particle pumping and losses, and is based on a quantum Langevin theory, which we derive starting from a microscopical quantum optics model. For generic non-Markovian reservoirs, we demonstrate that the emergence of thermal properties occurs in the range of frequencies corresponding to low-energy excitations. For the specific case of non-Markovian baths verifying the Kennard-Stepanov relation, we show that pseudothermalization can instead occur at all energy scales. The possible implications regarding the interpretation of thermal laws in low-temperature exciton-polariton experiments are discussed. We finally show that the presence of either a saturable pumping or a dispersive environment leads to a breakdown of the pseudothermalization effect.

Dynamics of Weight Change and Temperature of Apis mellifera (Hymenoptera: Apidae) Colonies in a Wintering Building With Controlled Temperature.

PubMed

Stalidzans, E; Zacepins, A; Kviesis, A; Brusbardis, V; Meitalovs, J; Paura, L; Bulipopa, N; Liepniece, M

2017-02-01

Honey bee wintering in a wintering building (indoors) with controlled microclimate is used in some cold regions to minimize colony losses due to the hard weather conditions. The behavior and possible state of bee colonies in a dark room, isolated from natural environment during winter season, was studied by indirect temperature measurements to analyze the expression of their annual rhythm when it is not affected by ambient temperature, rain, snow, wind, and daylight. Thus, the observed behavior in the wintering building is initiated solely by bee colony internal processes. Experiments were carried out to determine the dynamics of temperature above the upper hive body and weight dynamics of indoors and outdoors wintered honey bee colonies and their brood-rearing performance in spring. We found significantly lower honey consumption-related weight loss of indoor wintered colonies compared with outdoor colonies, while no significant difference in the amount of open or sealed brood was found, suggesting that wintering building saves food and physiological resources without an impact on colony activity in spring. Indoor wintered colonies, with or without thermal insulation, did not have significant differences in food consumption and brood rearing in spring. The thermal behavior and weight dynamics of all experimental groups has changed in the middle of February possibly due to increased brood-rearing activity. Temperature measurement above the upper hive body is a convenient remote monitoring method of wintering process. Predictability of food consumption in a wintering building, with constant temperature, enables wintering without oversupply of wintering honey. © The Authors 2017. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Dynamical recovery of SU(2) symmetry in the mass-quenched Hubbard model

NASA Astrophysics Data System (ADS)

Du, Liang; Fiete, Gregory A.

2018-02-01

We use nonequilibrium dynamical mean-field theory with iterative perturbation theory as an impurity solver to study the recovery of SU(2) symmetry in real time following a hopping integral parameter quench from a mass-imbalanced to a mass-balanced single-band Hubbard model at half filling. A dynamical order parameter γ (t ) is defined to characterize the evolution of the system towards SU(2) symmetry. By comparing the momentum-dependent occupation from an equilibrium calculation [with the SU(2) symmetric Hamiltonian after the quench at an effective temperature] with the data from our nonequilibrium calculation, we conclude that the SU(2) symmetry recovered state is a thermalized state. Further evidence from the evolution of the density of states supports this conclusion. We find the order parameter in the weak Coulomb interaction regime undergoes an approximate exponential decay. We numerically investigate the interplay of the relevant parameters (initial temperature, Coulomb interaction strength, initial mass-imbalance ratio) and their combined effect on the thermalization behavior. Finally, we study evolution of the order parameter as the hopping parameter is changed with either a linear ramp or a pulse. Our results can be useful in strategies to engineer the relaxation behavior of interacting quantum many-particle systems.

Phonon wave interference in graphene and boron nitride superlattice

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

Chen, Xue-Kun; Zhou, Wu-Xing; Tang, Li-Ming

2016-07-11

The thermal transport properties of the graphene and boron nitride superlattice (CBNSL) are investigated via nonequilibrium molecular dynamics simulations. The simulation results show that a minimum lattice thermal conductivity can be achieved by changing the period length of the superlattice. Additionally, it is found that the period length at the minimum shifts to lower values at higher temperatures, and that the depth of the minimum increases with decreasing temperature. In particular, at 200 K, the thermal conductivities of CBNSLs with certain specific period lengths are nearly equal to the corresponding values at 300 K. A detailed analysis of the phonon spectra showsmore » that this anomalous thermal conductivity behavior is a result of strong phonon wave interference. These observations indicate a promising strategy for manipulation of thermal transport in superlattices.« less

Space station rotational equations of motion

NASA Technical Reports Server (NTRS)

Rheinfurth, M. H.; Carroll, S. N.

1985-01-01

Dynamic equations of motion are developed which describe the rotational motion for a large space structure having rotating appendages. The presence of the appendages produce torque coupling terms which are dependent on the inertia properties of the appendages and the rotational rates for both the space structure and the appendages. These equations were formulated to incorporate into the Space Station Attitude Control and Stabilization Test Bed to accurately describe the influence rotating solar arrays and thermal radiators have on the dynamic behavior of the Space Station.

Thermal and Melt Wear Characterization of Materials in Sliding Contact at High Speed

DTIC Science & Technology

2014-03-01

wraparound slipper restrains the sled from flying off the rails as a result of aerodynamic lifting on the body . Figure 4 shows a representative VascoMax...in January 2008 to predict dynamic behavior of the rocket sled system during the actual test run. The left rear slipper from the third stage car...computational fluid dynamics model. Further, the slipper under consideration is the actual slipper of the third stage of the rocket sled, so the supersonic

Flight dynamic investigations of flying wing with winglet configured unmanned aerial vehicle

NASA Astrophysics Data System (ADS)

Ro, Kapseong

2006-05-01

A swept wing tailless vehicle platform is well known in the radio control (RC) and sailing aircraft community for excellent spiral stability during soaring or thermaling, while exhibiting no Dutch roll behavior at high speed. When an unmanned aerial vehicle (UAV) is subjected to fly a mission in a rugged mountainous terrain where air current or thermal up-drift is frequently present, this is great aerodynamic benefit over the conventional cross-tailed aircraft which requires careful balance between lateral and directional stability. Such dynamic characteristics can be studied through vehicle dynamic modeling and simulation, but it requires configuration aerodynamic data through wind tunnel experiments. Obtaining such data is very costly and time consuming, and it is not feasible especially for low cost and dispensable UAVs. On the other hand, the vehicle autonomy is quite demanding which requires substantial understanding of aircraft dynamic characteristics. In this study, flight dynamics of an UAV platform based on flying wing with a large winglet was investigated through analytical modeling and numerical simulation. Flight dynamic modeling software and experimental formulae were used to obtain essential configuration aerodynamic characteristics, and linear flight dynamic analysis was carried out to understand the effect of wing sweep angle and winglet size on the vehicle dynamic characteristics.

Direct observation of surface-state thermal oscillations in SmB6 oscillators

NASA Astrophysics Data System (ADS)

Casas, Brian; Stern, Alex; Efimkin, Dmitry K.; Fisk, Zachary; Xia, Jing

2018-01-01

SmB6 is a mixed valence Kondo insulator that exhibits a sharp increase in resistance following an activated behavior that levels off and saturates below 4 K. This behavior can be explained by the proposal of SmB6 representing a new state of matter, a topological Kondo insulator, in which a Kondo gap is developed, and topologically protected surface conduction dominates low-temperature transport. Exploiting its nonlinear dynamics, a tunable SmB6 oscillator device was recently demonstrated, where a small dc current generates large oscillating voltages at frequencies from a few Hz to hundreds of MHz. This behavior was explained by a theoretical model describing the thermal and electronic dynamics of coupled surface and bulk states. However, a crucial aspect of this model, the predicted temperature oscillation in the surface state, has not been experimentally observed to date. This is largely due to the technical difficulty of detecting an oscillating temperature of the very thin surface state. Here we report direct measurements of the time-dependent surface-state temperature in SmB6 with a RuO2 microthermometer. Our results agree quantitatively with the theoretically simulated temperature waveform, and hence support the validity of the oscillator model, which will provide accurate theoretical guidance for developing future SmB6 oscillators at higher frequencies.

Reinforcement of dynamically vulcanized EPDM/PP elastomers using organoclay fillers

PubMed Central

Tsai, Yuhsin; Wu, Jyh-Horng; Wu, Yao-Tsu; Li, Chia-Hao; Leu, Ming-Tsong

2008-01-01

Dynamically vulcanized EPDM/PP (ethylene-propylene-diene/polypropylene) elastomers reinforced with various amounts of organoclay were prepared using octylphenol-formaldehyde resin and stannous chloride dehydrate as vulcanizing agents. The effects of organoclay on vulcanization characteristics, rheological behavior, morphology, thermal stability and thermomechanical properties were studied. Experimental results showed that organoclay affected neither the vulcanization process nor the degree of vulcanization chemically. X-ray analysis revealed that these organoclay-filled thermoplastic vulcanizates (TPVs) were intercalated. With respect to the mechanical properties, organoclay increased both the strength and degree of elongation of TPVs. The morphological observation of fractured surfaces suggested that organoclay acted as a nucleating agent in TPVs, improving their mechanical properties. However, adding organoclay reduced the thermal stability of TPVs by decomposing the swelling agents in the organoclay. PMID:27878033

Transport coefficients of liquid CF4 and SF6 computed by molecular dynamics using polycenter Lennard-Jones potentials

NASA Astrophysics Data System (ADS)

Hoheisel, C.

1989-01-01

For several liquid states of CF4 and SF4, the shear and the bulk viscosity as well as the thermal conductivity were determined by equilibrium molecular dynamics (MD) calculations. Lennard-Jones four- and six-center pair potentials were applied, and the method of constraints was chosen for the MD. The computed Green-Kubo integrands show a steep time decay, and no particular longtime behavior occurs. The molecule number dependence of the results is found to be small, and 3×105 integration steps allow an accuracy of about 10% for the shear viscosity and the thermal conductivity coefficient. Comparison with experimental data shows a fair agreement for CF4, while for SF6 the transport coefficients fall below the experimental ones by about 30%.

Experimental study of forced convection heat transport in porous media

NASA Astrophysics Data System (ADS)

Pastore, Nicola; Cherubini, Claudia; Rapti, Dimitra; Giasi, Concetta I.

2018-04-01

The present study is aimed at extending this thematic issue through heat transport experiments and their interpretation at laboratory scale. An experimental study to evaluate the dynamics of forced convection heat transfer in a thermally isolated column filled with porous medium has been carried out. The behavior of two porous media with different grain sizes and specific surfaces has been observed. The experimental data have been compared with an analytical solution for one-dimensional heat transport for local nonthermal equilibrium condition. The interpretation of the experimental data shows that the heterogeneity of the porous medium affects heat transport dynamics, causing a channeling effect which has consequences on thermal dispersion phenomena and heat transfer between fluid and solid phases, limiting the capacity to store or dissipate heat in the porous medium.

Evaluation of thermal behavior during laser metal deposition using optical pyrometry and numerical simulation

NASA Astrophysics Data System (ADS)

Dubrov, Alexander V.; Zavalov, Yuri N.; Mirzade, Fikret K.; Dubrov, Vladimir D.

2017-06-01

3D mathematical model of non-stationary processes of heat and mass transfer was developed for additive manufacturing of materials by direct laser metal deposition. The model takes into account self-consistent dynamics of free surface, temperature fields, and melt flow speeds. Evolution of free surface is modelled using combined Volume of Fluid and Level-Set method. Article presents experimental results of the measurement of temperature distribution in the area of bead formation by direct laser metal deposition, using multi-channel pyrometer, that is based on two-color sensors line. A comparison of experimental data with the results of numerical modeling was carried out. Features of thermal dynamics on the surface of melt pool have been detected, which were caused by thermo-capillary convection.

SMA Hybrid Composites for Dynamic Response Abatement Applications

NASA Technical Reports Server (NTRS)

Turner, Travis L.

2000-01-01

A recently developed constitutive model and a finite element formulation for predicting the thermomechanical response of Shape Memory Alloy (SMA) hybrid composite (SMAHC) structures is briefly described. Attention is focused on constrained recovery behavior in this study, but the constitutive formulation is also capable of modeling restrained or free recovery. Numerical results are shown for glass/epoxy panel specimens with embedded Nitinol actuators subjected to thermal and acoustic loads. Control of thermal buckling, random response, sonic fatigue, and transmission loss are demonstrated and compared to conventional approaches including addition of conventional composite layers and a constrained layer damping treatment. Embedded SMA actuators are shown to be significantly more effective in dynamic response abatement applications than the conventional approaches and are attractive for combination with other passive and/or active approaches.

Reinforcement of dynamically vulcanized EPDM/PP elastomers using organoclay fillers.

PubMed

Tsai, Yuhsin; Wu, Jyh-Horng; Wu, Yao-Tsu; Li, Chia-Hao; Leu, Ming-Tsong

2008-12-01

Dynamically vulcanized EPDM/PP (ethylene-propylene-diene/polypropylene) elastomers reinforced with various amounts of organoclay were prepared using octylphenol-formaldehyde resin and stannous chloride dehydrate as vulcanizing agents. The effects of organoclay on vulcanization characteristics, rheological behavior, morphology, thermal stability and thermomechanical properties were studied. Experimental results showed that organoclay affected neither the vulcanization process nor the degree of vulcanization chemically. X-ray analysis revealed that these organoclay-filled thermoplastic vulcanizates (TPVs) were intercalated. With respect to the mechanical properties, organoclay increased both the strength and degree of elongation of TPVs. The morphological observation of fractured surfaces suggested that organoclay acted as a nucleating agent in TPVs, improving their mechanical properties. However, adding organoclay reduced the thermal stability of TPVs by decomposing the swelling agents in the organoclay.

Model systems for single molecule polymer dynamics

PubMed Central

Latinwo, Folarin

2012-01-01

Double stranded DNA (dsDNA) has long served as a model system for single molecule polymer dynamics. However, dsDNA is a semiflexible polymer, and the structural rigidity of the DNA double helix gives rise to local molecular properties and chain dynamics that differ from flexible chains, including synthetic organic polymers. Recently, we developed single stranded DNA (ssDNA) as a new model system for single molecule studies of flexible polymer chains. In this work, we discuss model polymer systems in the context of “ideal” and “real” chain behavior considering thermal blobs, tension blobs, hydrodynamic drag and force–extension relations. In addition, we present monomer aspect ratio as a key parameter describing chain conformation and dynamics, and we derive dynamical scaling relations in terms of this molecular-level parameter. We show that asymmetric Kuhn segments can suppress monomer–monomer interactions, thereby altering global chain dynamics. Finally, we discuss ssDNA in the context of a new model system for single molecule polymer dynamics. Overall, we anticipate that future single polymer studies of flexible chains will reveal new insight into the dynamic behavior of “real” polymers, which will highlight the importance of molecular individualism and the prevalence of non-linear phenomena. PMID:22956980

Breathers and thermal relaxation as a temporal process: A possible way to detect breathers in experimental situations

NASA Astrophysics Data System (ADS)

Castrejón Pita, A. A.; Castrejón Pita, J. R.; Sarmiento G., A.

2005-06-01

Breather stability and longevity in thermally relaxing nonlinear arrays is investigated under the scrutiny of the analysis and tools employed for time series and state reconstruction of a dynamical system. We briefly review the methods used in the analysis and characterize a breather in terms of the results obtained with such methods. Our present work focuses on spontaneously appearing breathers in thermal Fermi-Pasta-Ulam arrays but we believe that the conclusions are general enough to describe many other related situations; the particular case described in detail is presented as another example of systems where three incommensurable frequencies dominate their chaotic dynamics (reminiscent of the Ruelle-Takens scenario for the appearance of chaotic behavior in nonlinear systems). This characterization may also be of great help for the discovery of breathers in experimental situations where the temporal evolution of a local variable (like the site energy) is the only available/measured data.

First-principles investigations on ionization and thermal conductivity of polystyrene for inertial confinement fusion applications

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

Hu, S. X., E-mail: shu@lle.rochester.edu; Goncharov, V. N.; McCrory, R. L.

2016-04-15

Using quantum molecular-dynamics (QMD) methods based on the density functional theory, we have performed first-principles investigations of the ionization and thermal conductivity of polystyrene (CH) over a wide range of plasma conditions (ρ = 0.5 to 100 g/cm{sup 3} and T = 15 625 to 500 000 K). The ionization data from orbital-free molecular-dynamics calculations have been fitted with a “Saha-type” model as a function of the CH plasma density and temperature, which gives an increasing ionization as the CH density increases even at low temperatures (T < 50 eV). The orbital-free molecular dynamics method is only used to gauge the average ionization behavior of CH under the average-atommore » model in conjunction with the pressure-matching mixing rule. The thermal conductivities (κ{sub QMD}) of CH, derived directly from the Kohn–Sham molecular-dynamics calculations, are then analytically fitted with a generalized Coulomb logarithm [(lnΛ){sub QMD}] over a wide range of plasma conditions. When compared with the traditional ionization and thermal conductivity models used in radiation–hydrodynamics codes for inertial confinement fusion simulations, the QMD results show a large difference in the low-temperature regime in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Hydrodynamic simulations of cryogenic deuterium–tritium targets with CH ablators on OMEGA and the National Ignition Facility using the QMD-derived ionization and thermal conductivity of CH have predicted ∼20% variation in target performance in terms of hot-spot pressure and neutron yield (gain) with respect to traditional model simulations.« less

Role of direct electron-phonon coupling across metal-semiconductor interfaces in thermal transport via molecular dynamics.

PubMed

Lin, Keng-Hua; Strachan, Alejandro

2015-07-21

Motivated by significant interest in metal-semiconductor and metal-insulator interfaces and superlattices for energy conversion applications, we developed a molecular dynamics-based model that captures the thermal transport role of conduction electrons in metals and heat transport across these types of interface. Key features of our model, denoted eleDID (electronic version of dynamics with implicit degrees of freedom), are the natural description of interfaces and free surfaces and the ability to control the spatial extent of electron-phonon (e-ph) coupling. Non-local e-ph coupling enables the energy of conduction electrons to be transferred directly to the semiconductor/insulator phonons (as opposed to having to first couple to the phonons in the metal). We characterize the effect of the spatial e-ph coupling range on interface resistance by simulating heat transport through a metal-semiconductor interface to mimic the conditions of ultrafast laser heating experiments. Direct energy transfer from the conduction electrons to the semiconductor phonons not only decreases interfacial resistance but also increases the ballistic transport behavior in the semiconductor layer. These results provide new insight for experiments designed to characterize e-ph coupling and thermal transport at the metal-semiconductor/insulator interfaces.

Understanding the Origins of Large Negative Thermal Expansion in Ferroelectric Perovskites from First Principles

NASA Astrophysics Data System (ADS)

Ritz, Ethan; Benedek, Nicole

Many of the functional properties of ABO3 perovskite oxides (for example, ferroelectricity) are strongly linked to particular phonon modes in the material. In addition, in many cases it is possible to formulate simple guidelines or `rules of thumb' that link crystal structure and chemistry to specific lattice dynamical characteristics. The thermal transport properties of perovskites are thus potentially highly tunable and dynamically controllable with external fields. We use first-principles density functional theory to reveal new details related to the origin of the large negative thermal expansion (NTE) observed for ferroelectric PbTiO3. Although the origin of NTE in this material is often ascribed to ferroelectricity (which arises from the freezing in of a soft, zone-center optical phonon), our results suggest that zone-boundary modes play a major role in driving NTE. In addition, hybridization between different electronic states has a significant effect on the lattice dynamics of PbTiO3 in general, and its NTE behavior in particular. Our work has implications for the understanding of, discovery and design of NTE in perovskites and other families of inorganic materials. This work was supported in part by a NASA Space Technology Research Fellowship.

Anomalous thermal conductivity of monolayer boron nitride

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

Tabarraei, Alireza, E-mail: atabarra@uncc.edu; Wang, Xiaonan

In this paper, we use nonequilibrium molecular dynamics modeling to investigate the thermal properties of monolayer hexagonal boron nitride nanoribbons under uniaxial strain along their longitudinal axis. Our simulations predict that hexagonal boron nitride shows an anomalous thermal response to the applied uniaxial strain. Contrary to three dimensional materials, under uniaxial stretching, the thermal conductivity of boron nitride nanoribbons first increases rather than decreasing until it reaches its peak value and then starts decreasing. Under compressive strain, the thermal conductivity of monolayer boron nitride ribbons monolithically reduces rather than increasing. We use phonon spectrum and dispersion curves to investigate themore » mechanism responsible for the unexpected behavior. Our molecular dynamics modeling and density functional theory results show that application of longitudinal tensile strain leads to the reduction of the group velocities of longitudinal and transverse acoustic modes. Such a phonon softening mechanism acts to reduce the thermal conductivity of the nanoribbons. On the other hand, a significant increase in the group velocity (stiffening) of the flexural acoustic modes is observed, which counteracts the phonon softening effects of the longitudinal and transverse modes. The total thermal conductivity of the ribbons is a result of competition between these two mechanisms. At low tensile strain, the stiffening mechanism overcomes the softening mechanism which leads to an increase in the thermal conductivity. At higher tensile strain, the softening mechanism supersedes the stiffening and the thermal conductivity slightly reduces. Our simulations show that the decrease in the thermal conductivity under compressive strain is attributed to the formation of buckling defects which reduces the phonon mean free path.« less

Extended Investigation on the Delicate Correlations Between Thermal Behavior and Physical Characteristics of Multi-component Blends

NASA Astrophysics Data System (ADS)

Shokoohi, Shirin

2015-11-01

Polypropylene (PP)/polyamide6 (PA6)/ethylene propylene diene rubber (EPDM) (70/15/15) ternary polymer blends compatibilized with maleic anhydride-grafted EPDM (EPDM-g-MA) were prepared under various processing parameters (barrel temperature, screw speed, and blending sequence). Thermal studies on the prepared blend samples were carried out using differential scanning calorimetry and dynamic mechanical thermal analysis. According to the results, heterogeneous nucleation phenomenon was observed due to the solidification of the PA6 particles dispersed within the PP melt leading to a significant increase in the crystallinity degree and exotherm crystallization peak temperature of PP compared to the pure homopolymer. This was suppressed in the samples with core-shell morphology due to the reduced PP/PA6 interfacial contact. Fractionated crystallization was observed when PA6 droplets dispersed too fine within the matrix (in this case bar{d}_M˜ 0.3 \\upmu {m}). Scanning electron microscopy micrographs were consistent with the melting and crystallization behavior of the blend samples.

A novel phenomenological multi-physics model of Li-ion battery cells

NASA Astrophysics Data System (ADS)

Oh, Ki-Yong; Samad, Nassim A.; Kim, Youngki; Siegel, Jason B.; Stefanopoulou, Anna G.; Epureanu, Bogdan I.

2016-09-01

A novel phenomenological multi-physics model of Lithium-ion battery cells is developed for control and state estimation purposes. The model can capture electrical, thermal, and mechanical behaviors of battery cells under constrained conditions, e.g., battery pack conditions. Specifically, the proposed model predicts the core and surface temperatures and reaction force induced from the volume change of battery cells because of electrochemically- and thermally-induced swelling. Moreover, the model incorporates the influences of changes in preload and ambient temperature on the force considering severe environmental conditions electrified vehicles face. Intensive experimental validation demonstrates that the proposed multi-physics model accurately predicts the surface temperature and reaction force for a wide operational range of preload and ambient temperature. This high fidelity model can be useful for more accurate and robust state of charge estimation considering the complex dynamic behaviors of the battery cell. Furthermore, the inherent simplicity of the mechanical measurements offers distinct advantages to improve the existing power and thermal management strategies for battery management.

Power-law decay exponents: A dynamical criterion for predicting thermalization

NASA Astrophysics Data System (ADS)

Távora, Marco; Torres-Herrera, E. J.; Santos, Lea F.

2017-01-01

From the analysis of the relaxation process of isolated lattice many-body quantum systems quenched far from equilibrium, we deduce a criterion for predicting when they are certain to thermalize. It is based on the algebraic behavior ∝t-γ of the survival probability at long times. We show that the value of the power-law exponent γ depends on the shape and filling of the weighted energy distribution of the initial state. Two scenarios are explored in detail: γ ≥2 and γ <1 . Exponents γ ≥2 imply that the energy distribution of the initial state is ergodically filled and the eigenstates are uncorrelated, so thermalization is guaranteed to happen. In this case, the power-law behavior is caused by bounds in the energy spectrum. Decays with γ <1 emerge when the energy eigenstates are correlated and signal lack of ergodicity. They are typical of systems undergoing localization due to strong onsite disorder and are found also in clean integrable systems.

Fly ash reinforced thermoplastic vulcanizates obtained from waste tire powder.

PubMed

Sridhar, V; Xiu, Zhang Zhen; Xu, Deng; Lee, Sung Hyo; Kim, Jin Kuk; Kang, Dong Jin; Bang, Dae-Suk

2009-03-01

Novel thermoplastic composites made from two major industrial and consumer wastes, fly ash and waste tire powder, have been developed. The effect of increasing fly ash loadings on performance characteristics such as tensile strength, thermal, dynamic mechanical and magnetic properties has been investigated. The morphology of the blends shows that fly ash particles have more affinity and adhesion towards the rubbery phase when compared to the plastic phase. The fracture surface of the composites shows extensive debonding of fly ash particles. Thermal analysis of the composites shows a progressive increase in activation energy with increase in fly ash loadings. Additionally, morphological studies of the ash residue after 90% thermal degradation shows extensive changes occurring in both the polymer and filler phases. The processing ability of the thermoplastics has been carried out in a Monsanto processability testing machine as a function of shear rate and temperature. Shear thinning behavior, typical of particulate polymer systems, has been observed irrespective of the testing temperatures. Magnetic properties and percolation behavior of the composites have also been evaluated.

Multi-step cure kinetic model of ultra-thin glass fiber epoxy prepreg exhibiting both autocatalytic and diffusion-controlled regimes under isothermal and dynamic-heating conditions

NASA Astrophysics Data System (ADS)

Kim, Ye Chan; Min, Hyunsung; Hong, Sungyong; Wang, Mei; Sun, Hanna; Park, In-Kyung; Choi, Hyouk Ryeol; Koo, Ja Choon; Moon, Hyungpil; Kim, Kwang J.; Suhr, Jonghwan; Nam, Jae-Do

2017-08-01

As packaging technologies are demanded that reduce the assembly area of substrate, thin composite laminate substrates require the utmost high performance in such material properties as the coefficient of thermal expansion (CTE), and stiffness. Accordingly, thermosetting resin systems, which consist of multiple fillers, monomers and/or catalysts in thermoset-based glass fiber prepregs, are extremely complicated and closely associated with rheological properties, which depend on the temperature cycles for cure. For the process control of these complex systems, it is usually required to obtain a reliable kinetic model that could be used for the complex thermal cycles, which usually includes both the isothermal and dynamic-heating segments. In this study, an ultra-thin prepreg with highly loaded silica beads and glass fibers in the epoxy/amine resin system was investigated as a model system by isothermal/dynamic heating experiments. The maximum degree of cure was obtained as a function of temperature. The curing kinetics of the model prepreg system exhibited a multi-step reaction and a limited conversion as a function of isothermal curing temperatures, which are often observed in epoxy cure system because of the rate-determining diffusion of polymer chain growth. The modified kinetic equation accurately described the isothermal behavior and the beginning of the dynamic-heating behavior by integrating the obtained maximum degree of cure into the kinetic model development.

Thermally triggered phononic gaps in liquids at THz scale

DOE PAGES

Bolmatov, Dima; Zhernenkov, Mikhail; Zavyalov, Dmitry; ...

2016-01-14

In this study we present inelastic X-ray scattering experiments in a diamond anvil cell and molecular dynamic simulations to investigate the behavior of phononic excitations in liquid Ar. The spectra calculated using molecular dynamics were found to be in a good agreement with the experimental data. Furthermore, we observe that, upon temperature increases, a low-frequency transverse phononic gap emerges while high-frequency propagating modes become evanescent at the THz scale. The effect of strong localization of a longitudinal phononic mode in the supercritical phase is observed for the first time. The evidence for the high-frequency transverse phononic gap due to themore » transition from an oscillatory to a ballistic dynamic regimes of motion is presented and supported by molecular dynamics simulations. This transition takes place across the Frenkel line thermodynamic limit which demarcates compressed liquid and non-compressed fluid domains on the phase diagram and is supported by calculations within the Green-Kubo phenomenological formalism. These results are crucial to advance the development of novel terahertz thermal devices, phononic lenses, mirrors, and other THz metamaterials.« less

Development of Multi-physics (Multiphase CFD + MCNP) simulation for generic solution vessel power calculation

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

Kim, Seung Jun; Buechler, Cynthia Eileen

The current study aims to predict the steady state power of a generic solution vessel and to develop a corresponding heat transfer coefficient correlation for a Moly99 production facility by conducting a fully coupled multi-physics simulation. A prediction of steady state power for the current application is inherently interconnected between thermal hydraulic characteristics (i.e. Multiphase computational fluid dynamics solved by ANSYS-Fluent 17.2) and the corresponding neutronic behavior (i.e. particle transport solved by MCNP6.2) in the solution vessel. Thus, the development of a coupling methodology is vital to understand the system behavior at a variety of system design and postulated operatingmore » scenarios. In this study, we report on the k-effective (keff) calculation for the baseline solution vessel configuration with a selected solution concentration using MCNP K-code modeling. The associated correlation of thermal properties (e.g. density, viscosity, thermal conductivity, specific heat) at the selected solution concentration are developed based on existing experimental measurements in the open literature. The numerical coupling methodology between multiphase CFD and MCNP is successfully demonstrated, and the detailed coupling procedure is documented. In addition, improved coupling methods capturing realistic physics in the solution vessel thermal-neutronic dynamics are proposed and tested further (i.e. dynamic height adjustment, mull-cell approach). As a key outcome of the current study, a multi-physics coupling methodology between MCFD and MCNP is demonstrated and tested for four different operating conditions. Those different operating conditions are determined based on the neutron source strength at a fixed geometry condition. The steady state powers for the generic solution vessel at various operating conditions are reported, and a generalized correlation of the heat transfer coefficient for the current application is discussed. The assessment of multi-physics methodology and preliminary results from various coupled calculations (power prediction and heat transfer coefficient) can be further utilized for the system code validation and generic solution vessel design improvement.« less

The middeck 0-gravity dynamics experiment

NASA Technical Reports Server (NTRS)

Crawley, Edward F.; Vanschoor, Marthinus C.; Bokhour, Edward B.

1993-01-01

The Middeck 0-Gravity Dynamics Experiment (MODE), flown onboard the Shuttle STS-48 Mission, consists of three major elements: the Experiment Support Module, a dynamics test bed providing computer experiment control, analog signal conditioning, power conditioning, an operator interface consisting of a keypad and display, experiment electrical and thermal control, and archival data storage: the Fluid Test Article assembly, used to investigate the dynamics of fluid-structure interaction in 0-gravity; and the Structural Test Article for investigating the open-loop dynamics of structures in 0-gravity. Deployable, erectable, and rotary modules were assembled to form three one- and two-dimensional structures, in which variations in bracing wire and rotary joint preload could be introduced. Change in linear modal parameters as well as the change in nonlinear nature of the response is examined. Trends in modal parameters are presented as a function of force amplitude, joint preload, and ambient gravity. An experimental study of the lateral slosh behavior of contained fluids is also presented. A comparison of the measured earth and space results identifies and highlights the effects of gravity on the linear and nonlinear slosh behavior of these fluids.

On the transport coefficients of hydrogen in the inertial confinement fusion regime

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

Lambert, Flavien; Recoules, Vanina; Decoster, Alain

2011-05-15

Ab initio molecular dynamics is used to compute the thermal and electrical conductivities of hydrogen from 10 to 160 g cm{sup -3} and temperatures up to 800 eV, i.e., thermodynamical conditions relevant to inertial confinement fusion (ICF). The ionic structure is obtained using molecular dynamics simulations based on an orbital-free treatment for the electrons. The transport properties were computed using ab initio simulations in the DFT/LDA approximation. The thermal and electrical conductivities are evaluated using Kubo-Greenwood formulation. Particular attention is paid to the convergence of electronic transport properties with respect to the number of bands and atoms. These calculations aremore » then used to check various analytical models (Hubbard's, Lee-More's and Ichimaru's) widely used in hydrodynamics simulations of ICF capsule implosions. The Lorenz number, which is the ratio between thermal and electrical conductivities, is also computed and compared to the well-known Wiedemann-Franz law in different regimes ranging from the highly degenerate to the kinetic one. This allows us to deduce electrical conductivity from thermal conductivity for analytical model. We find that the coupling of Hubbard and Spitzer models gives a correct description of the behavior of electrical and thermal conductivities in the whole thermodynamic regime.« less

Universal Scaling Laws in the Dynamics of a Homogeneous Unitary Bose Gas

NASA Astrophysics Data System (ADS)

Eigen, Christoph; Glidden, Jake A. P.; Lopes, Raphael; Navon, Nir; Hadzibabic, Zoran; Smith, Robert P.

2017-12-01

We study the dynamics of an initially degenerate homogeneous Bose gas after an interaction quench to the unitary regime at a magnetic Feshbach resonance. As the cloud decays and heats, it exhibits a crossover from degenerate- to thermal-gas behavior, both of which are characterized by universal scaling laws linking the particle-loss rate to the total atom number N . In the degenerate and thermal regimes, the per-particle loss rate is ∝N2 /3 and N26 /9, respectively. The crossover occurs at a universal kinetic energy per particle and at a universal time after the quench, in units of energy and time set by the gas density. By slowly sweeping the magnetic field away from the resonance and creating a mixture of atoms and molecules, we also map out the dynamics of correlations in the unitary gas, which display a universal temporal scaling with the gas density, and reach a steady state while the gas is still degenerate.

A neutron scattering study on the stability of trehalose mycolates under thermal stress

NASA Astrophysics Data System (ADS)

Migliardo, F.; Salmeron, C.; Bayan, N.

2013-10-01

The present paper is focused on the study of the dynamics of mycolic acids, which are fundamental components of the outer membrane (mycomembrane) of Mycobacterium tuberculosis. An elastic neutron scattering study of mycolic acid/H2O and lecithin/H2O mixtures as a function of temperature and exchanged wavevector Q has been carried out. This study provides an effective way for characterizing the dynamical properties, furnishing a set of parameters characterizing the different flexibility and rigidity of the investigated lipids. The behavior of the elastically scattered intensity profiles and the derived mean square displacements as a function of temperature shows a more marked temperature dependence for lecithin lipids in comparison with mycolic acids, so revealing a higher thermal stability of these latter. These findings could be useful for understanding the dynamics-function relation in the mycomembrane and then to relate it to the low permeability and high resistance of mycobacteria to many antibiotics.

Effects of thermal fluctuations and fluid compressibility on hydrodynamic synchronization of microrotors at finite oscillatory Reynolds number: a multiparticle collision dynamics simulation study.

PubMed

Theers, Mario; Winkler, Roland G

2014-08-28

We investigate the emergent dynamical behavior of hydrodynamically coupled microrotors by means of multiparticle collision dynamics (MPC) simulations. The two rotors are confined in a plane and move along circles driven by active forces. Comparing simulations to theoretical results based on linearized hydrodynamics, we demonstrate that time-dependent hydrodynamic interactions lead to synchronization of the rotational motion. Thermal noise implies large fluctuations of the phase-angle difference between the rotors, but synchronization prevails and the ensemble-averaged time dependence of the phase-angle difference agrees well with analytical predictions. Moreover, we demonstrate that compressibility effects lead to longer synchronization times. In addition, the relevance of the inertia terms of the Navier-Stokes equation are discussed, specifically the linear unsteady acceleration term characterized by the oscillatory Reynolds number ReT. We illustrate the continuous breakdown of synchronization with the Reynolds number ReT, in analogy to the continuous breakdown of the scallop theorem with decreasing Reynolds number.

Thermal relaxation and collective dynamics of interacting aerosol-generated hexagonal NiFe2O4 nanoparticles.

PubMed

Ortega, D; Kuznetsov, M V; Morozov, Yu G; Belousova, O V; Parkin, I P

2013-12-28

This article reports on the magnetic properties of interacting uncoated nickel ferrite (NiFe2O4) nanoparticles synthesized through an aerosol levitation-jet technique. A comprehensive set of samples with different compositions of background gas and metal precursors, as well as applied electric field intensities, has been studied. Nanoparticles prepared under a field of 210 kV m(-1) show moderately high-field irreversibility and shifted hysteresis loops after field-cooling, also exhibiting a joint temperature decrease of the exchange field and coercivity. The appearance of memory effects has been checked using the genuine ZFC protocol and the observed behavior cannot be fully explained in terms of thermal relaxation. Although dipolar interactions prevail, exchange interactions occur to a certain extent within a narrow range of applied fields. The origin of the slow dynamics in the system is found to be given by the interplay of the distribution of energy barriers due to size dispersion and the cooperative dynamics associated with frustrated interactions.

Universal Scaling Laws in the Dynamics of a Homogeneous Unitary Bose Gas.

PubMed

Eigen, Christoph; Glidden, Jake A P; Lopes, Raphael; Navon, Nir; Hadzibabic, Zoran; Smith, Robert P

2017-12-22

We study the dynamics of an initially degenerate homogeneous Bose gas after an interaction quench to the unitary regime at a magnetic Feshbach resonance. As the cloud decays and heats, it exhibits a crossover from degenerate- to thermal-gas behavior, both of which are characterized by universal scaling laws linking the particle-loss rate to the total atom number N. In the degenerate and thermal regimes, the per-particle loss rate is ∝N^{2/3} and N^{26/9}, respectively. The crossover occurs at a universal kinetic energy per particle and at a universal time after the quench, in units of energy and time set by the gas density. By slowly sweeping the magnetic field away from the resonance and creating a mixture of atoms and molecules, we also map out the dynamics of correlations in the unitary gas, which display a universal temporal scaling with the gas density, and reach a steady state while the gas is still degenerate.

Ultra-Small-Angle X-ray Scattering – X-ray Photon Correlation Spectroscopy Studies of Incipient Structural Changes in Amorphous Calcium Phosphate Based Dental Composites

PubMed Central

Zhang, F.; Allen, A.J.; Levine, L.E.; Espinal, L.; Antonucci, J.M.; Skrtic, D.; O’Donnell, J.N.R.; Ilavsky, J.

2012-01-01

The local structural changes in amorphous calcium phosphate (ACP) based dental composites were studied under isothermal conditions using both static, bulk measurement techniques and a recently developed methodology based on combined ultra-small angle X-ray scattering – X-ray photon correlation spectroscopy (USAXS-XPCS), which permits a dynamic approach. While results from conventional bulk measurements do not show clear signs of structural change, USAXS-XPCS results reveal unambiguous evidence for local structural variations on a similar time scale to that of water loss in the ACP fillers. A thermal-expansion based simulation indicates that thermal behavior alone does not account for the observed dynamics. Together, these results suggest that changes in the water content of ACP affect the composite morphology due to changes in ACP structure that occur without an amorphous-to-crystalline conversion. It is also noted that biomedical materials research could benefit greatly from USAXS-XPCS, a dynamic approach. PMID:22374649

Thermal diffusion behavior of hard-sphere suspensions.

PubMed

Ning, Hui; Buitenhuis, Johan; Dhont, Jan K G; Wiegand, Simone

2006-11-28

We studied the thermal diffusion behavior of octadecyl coated silica particles (R(h)=27 nm) in toluene between 15.0 and 50.0 degrees C in a volume fraction range of 1%-30% by means of thermal diffusion forced Rayleigh scattering. The colloidal particles behave like hard spheres at high temperatures and as sticky spheres at low temperatures. With increasing temperature, the obtained Soret coefficient S(T) of the silica particles changed sign from negative to positive, which implies that the colloidal particles move to the warm side at low temperatures, whereas they move to the cold side at high temperatures. Additionally, we observed also a sign change of the Soret coefficient from positive to negative with increasing volume fraction. This is the first colloidal system for which a sign change with temperature and volume fraction has been observed. The concentration dependence of the thermal diffusion coefficient of the colloidal spheres is related to the colloid-colloid interactions, and will be compared with an existing theoretical description for interacting spherical particles. To characterize the particle-particle interaction parameters, we performed static and dynamic light scattering experiments. The temperature dependence of the thermal diffusion coefficient is predominantly determined by single colloidal particle properties, which are related to colloid-solvent molecule interactions.

Memory versus irreversibility in the thermal densification of amorphous glasses

NASA Astrophysics Data System (ADS)

Ovadyahu, Z.

2017-06-01

We report on dynamic effects associated with thermally annealing amorphous indium-oxide films. In this process, the resistance of a given sample may decrease by several orders of magnitude at room temperatures, while its amorphous structure is preserved. The main effect of the process is densification, i.e., increased system density. The study includes the evolution of the system resistivity during and after the thermal treatment, the changes in the conductance noise, and the accompanying changes in the optical properties. The sample resistance is used to monitor the system dynamics during the annealing period as well as the relaxation that ensues after its termination. These reveal slow processes that fit well with a stretched-exponential law, a behavior that is commonly observed in structural glasses. There is an intriguing similarity between these effects and those obtained in high-pressure densification experiments. Both protocols exhibit the "slow spring-back" effect, a familiar response of memory foams. A heuristic picture based on a modified Lennard-Jones potential for the effective interparticle interaction is argued to qualitatively account for these densification-rarefaction phenomena in amorphous materials, whether affected by thermal treatment or by application of high pressure.

Processing and characterization of polyols plasticized-starch reinforced with microcrystalline cellulose.

PubMed

Rico, M; Rodríguez-Llamazares, S; Barral, L; Bouza, R; Montero, B

2016-09-20

Biocomposites suitable for short-life applications such as food packaging were prepared by melt processing and investigated. Biocomposites studied are wheat starch plasticized with two different molecular weight polyols (glycerol and sorbitol) and reinforced with various amounts of microcrystalline cellulose. The effect of the plasticizer type and the filler amount on the processing properties, the crystallization behavior and morphology developed for the materials, and the influence on thermal stability, dynamic mechanical properties and water absorption behavior were investigated. Addition of microcrystalline cellulose led to composites with good filler-matrix adhesion where the stiffness and resistance to humidity absorption were improved. The use of sorbitol as a plasticizer of starch also improved the stiffness and water uptake behavior of the material as well as its thermal stability. Biodegradable starch-based materials with a wide variety of properties can be tailored by varying the polyol plasticizer type and/or by adding microcrystalline cellulose filler. Copyright © 2016 Elsevier Ltd. All rights reserved.

Charge transport calculations by a wave-packet dynamical approach using maximally localized Wannier functions based on density functional theory: Application to high-mobility organic semiconductors

NASA Astrophysics Data System (ADS)

Ishii, Hiroyuki; Kobayashi, Nobuhiko; Hirose, Kenji

2017-01-01

We present a wave-packet dynamical approach to charge transport using maximally localized Wannier functions based on density functional theory including van der Waals interactions. We apply it to the transport properties of pentacene and rubrene single crystals and show the temperature-dependent natures from bandlike to thermally activated behaviors as a function of the magnitude of external static disorder. We compare the results with those obtained by the conventional band and hopping models and experiments.

Processing and Characterization of Cellulose Nanocrystals/Polylactic Acid Nanocomposite Films

PubMed Central

Sullivan, Erin M.; Moon, Robert J.; Kalaitzidou, Kyriaki

2015-01-01

The focus of this study is to examine the effect of cellulose nanocrystals (CNC) on the properties of polylactic acid (PLA) films. The films are fabricated via melt compounding and melt fiber spinning followed by compression molding. Film fracture morphology, thermal properties, crystallization behavior, thermo-mechanical behavior, and mechanical behavior were determined as a function of CNC content using scanning electron microscopy, differential scanning calorimetry, X-ray diffraction, dynamic mechanical analysis, and tensile testing. Film crystallinity increases with increasing CNC content indicating CNC act as nucleating agents, promoting crystallization. Furthermore, the addition of CNC increased the film storage modulus and slightly broadened the glass transition region. PMID:28793701

Numerical Modeling of Nonlinear Thermodynamics in SMA Wires

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

Reynolds, D R; Kloucek, P

We present a mathematical model describing the thermodynamic behavior of shape memory alloy wires, as well as a computational technique to solve the resulting system of partial differential equations. The model consists of conservation equations based on a new Helmholtz free energy potential. The computational technique introduces a viscosity-based continuation method, which allows the model to handle dynamic applications where the temporally local behavior of solutions is desired. Computational experiments document that this combination of modeling and solution techniques appropriately predicts the thermally- and stress-induced martensitic phase transitions, as well as the hysteretic behavior and production of latent heat associatedmore » with such materials.« less

Cyclic thermal behavior associated to the degassing process at El Hierro submarine volcano, Canary Islands.

NASA Astrophysics Data System (ADS)

Fraile-Nuez, E.; Santana-Casiano, J. M.; González-Dávila, M.

2016-12-01

One year after the ceasing of magmatic activity in the shallow submarine volcano of the island of El Hierro, significant physical-chemical anomalies produced by the degassing process as: (i) thermal anomalies increase of +0.44 °C, (ii) pH decrease of -0.034 units, (iii) total dissolved inorganic carbon, CT increase by +43.5 µmol kg-1 and (iv) total alkalinity, AT by +12.81 µmol kg-1 were still present in the area. These evidences highlight the potential role of the shallow degassing processes as a natural ecosystem-scale experiments for the study of significant effects of global change stressors on marine environments. Additionally, thermal time series obtained from a temporal yo-yo CTD study, in isopycnal components, over one of the most active points of the submarine volcano have been analyzed in order to investigate the behavior of the system. Signal processing of the thermal time series highlights a strong cyclic temperature period of 125-150 min at 99.9% confidence, due to characteristic time-scales revealed in the periodogram. These long cycles might reflect dynamics occurring within the shallow magma supply system below the island of El Hierro.

Structural and dynamical insight into thermally induced functional inactivation of firefly luciferase

PubMed Central

Jazayeri, Fatemeh S.; Hosseinkhani, Saman

2017-01-01

Luciferase is the key component of light production in bioluminescence process. Extensive and advantageous application of this enzyme in biotechnology is restricted due to its low thermal stability. Here we report the effect of heating up above Tm on the structure and dynamical properties of luciferase enzyme compared to temperature at 298 K. In this way we demonstrate that the number of hydrogen bonds between N- and C-domain is increased for the free enzyme at 325 K. Increased inter domain hydrogen bonds by three at 325 K suggests that inter domain contact is strengthened. The appearance of simultaneous strong salt bridge and hydrogen bond between K529 and D422 and increased existence probability between R533 and E389 could mechanistically explain stronger contact between N- and C-domain. Mutagenesis studies demonstrated the importance of K529 and D422 experimentally. Also the significant reduction in SASA for experimentally important residues K529, D422 and T343 which are involved in active site region was observed. Principle component analysis (PCA) in our study shows that the dynamical behavior of the enzyme is changed upon heating up which mainly originated from the change of motion modes and associated extent of those motions with respect to 298 K. These findings could explain why heating up of the enzyme or thermal fluctuation of protein conformation reduces luciferase activity in course of time as a possible mechanism of thermal functional inactivation. According to these results we proposed two strategies to improve thermal stability of functional luciferase. PMID:28672033

Theory of Thermal Relaxation of Electrons in Semiconductors

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

Sadasivam, Sridhar; Chan, Maria K. Y.; Darancet, Pierre

2017-09-01

We compute the transient dynamics of phonons in contact with high energy ``hot'' charge carriers in 12 polar and non-polar semiconductors, using a first-principles Boltzmann transport framework. For most materials, we find that the decay in electronic temperature departs significantly from a single-exponential model at times ranging from 1 ps to 15 ps after electronic excitation, a phenomenon concomitant with the appearance of non-thermal vibrational modes. We demonstrate that these effects result from the slow thermalization within the phonon subsystem, caused by the large heterogeneity in the timescales of electron-phonon and phonon-phonon interactions in these materials. We propose a generalizedmore » 2-temperature model accounting for the phonon thermalization as a limiting step of electron-phonon thermalization, which captures the full thermal relaxation of hot electrons and holes in semiconductors. A direct consequence of our findings is that, for semiconductors, information about the spectral distribution of electron-phonon and phonon-phonon coupling can be extracted from the multi-exponential behavior of the electronic temperature.« less

Confined Water in Layered Silicates: The Origin of Anomalous Thermal Expansion Behavior in Calcium-Silicate-Hydrates

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

Krishnan, N. M. Anoop; Wang, Bu; Falzone, Gabriel

Water, under conditions of nanoscale confinement, exhibits anomalous dynamics, and enhanced thermal deformations, which may be further enhanced when such water is in contact with hydrophilic surfaces. Such heightened thermal deformations of water could control the volume stability of hydrated materials containing nanoconfined structural water. Understanding and predicting the thermal deformation coefficient (TDC, often referred to as the CTE, coefficient of thermal expansion), which represents volume changes induced in materials under conditions of changing temperature, is of critical importance for hydrated solids including: hydrogels, biological tissues, and calcium silicate hydrates, as changes in their volume can result in stress development,more » and cracking. By pioneering atomistic simulations, we examine the physical origin of thermal expansion in calcium-silicate-hydrates (C–S–H), the binding agent in concrete that is formed by the reaction of cement with water. We report that the TDC of C–S–H shows a sudden increase when the CaO/SiO 2 (molar ratio; abbreviated as Ca/Si) exceeds 1.5. This anomalous behavior arises from a notable increase in the confinement of water contained in the C–S–H’s nanostructure. We identify that confinement is dictated by the topology of the C–S–H’s atomic network. Altogether, the results suggest that thermal deformations of hydrated silicates can be altered by inducing compositional changes, which in turn alter the atomic topology and the resultant volume stability of the solids.« less

Confined Water in Layered Silicates: The Origin of Anomalous Thermal Expansion Behavior in Calcium-Silicate-Hydrates.

PubMed

Krishnan, N M Anoop; Wang, Bu; Falzone, Gabriel; Le Pape, Yann; Neithalath, Narayanan; Pilon, Laurent; Bauchy, Mathieu; Sant, Gaurav

2016-12-28

Water, under conditions of nanoscale confinement, exhibits anomalous dynamics, and enhanced thermal deformations, which may be further enhanced when such water is in contact with hydrophilic surfaces. Such heightened thermal deformations of water could control the volume stability of hydrated materials containing nanoconfined structural water. Understanding and predicting the thermal deformation coefficient (TDC, often referred to as the CTE, coefficient of thermal expansion), which represents volume changes induced in materials under conditions of changing temperature, is of critical importance for hydrated solids including: hydrogels, biological tissues, and calcium silicate hydrates, as changes in their volume can result in stress development, and cracking. By pioneering atomistic simulations, we examine the physical origin of thermal expansion in calcium-silicate-hydrates (C-S-H), the binding agent in concrete that is formed by the reaction of cement with water. We report that the TDC of C-S-H shows a sudden increase when the CaO/SiO 2 (molar ratio; abbreviated as Ca/Si) exceeds 1.5. This anomalous behavior arises from a notable increase in the confinement of water contained in the C-S-H's nanostructure. We identify that confinement is dictated by the topology of the C-S-H's atomic network. Taken together, the results suggest that thermal deformations of hydrated silicates can be altered by inducing compositional changes, which in turn alter the atomic topology and the resultant volume stability of the solids.

Confined Water in Layered Silicates: The Origin of Anomalous Thermal Expansion Behavior in Calcium-Silicate-Hydrates

DOE PAGES

Krishnan, N. M. Anoop; Wang, Bu; Falzone, Gabriel; ...

2016-12-06

Water, under conditions of nanoscale confinement, exhibits anomalous dynamics, and enhanced thermal deformations, which may be further enhanced when such water is in contact with hydrophilic surfaces. Such heightened thermal deformations of water could control the volume stability of hydrated materials containing nanoconfined structural water. Understanding and predicting the thermal deformation coefficient (TDC, often referred to as the CTE, coefficient of thermal expansion), which represents volume changes induced in materials under conditions of changing temperature, is of critical importance for hydrated solids including: hydrogels, biological tissues, and calcium silicate hydrates, as changes in their volume can result in stress development,more » and cracking. By pioneering atomistic simulations, we examine the physical origin of thermal expansion in calcium-silicate-hydrates (C–S–H), the binding agent in concrete that is formed by the reaction of cement with water. We report that the TDC of C–S–H shows a sudden increase when the CaO/SiO 2 (molar ratio; abbreviated as Ca/Si) exceeds 1.5. This anomalous behavior arises from a notable increase in the confinement of water contained in the C–S–H’s nanostructure. We identify that confinement is dictated by the topology of the C–S–H’s atomic network. Altogether, the results suggest that thermal deformations of hydrated silicates can be altered by inducing compositional changes, which in turn alter the atomic topology and the resultant volume stability of the solids.« less

Nuclear quantum dynamics in dense hydrogen

PubMed Central

Kang, Dongdong; Sun, Huayang; Dai, Jiayu; Chen, Wenbo; Zhao, Zengxiu; Hou, Yong; Zeng, Jiaolong; Yuan, Jianmin

2014-01-01

Nuclear dynamics in dense hydrogen, which is determined by the key physics of large-angle scattering or many-body collisions between particles, is crucial for the dynamics of planet's evolution and hydrodynamical processes in inertial confinement confusion. Here, using improved ab initio path-integral molecular dynamics simulations, we investigated the nuclear quantum dynamics regarding transport behaviors of dense hydrogen up to the temperatures of 1 eV. With the inclusion of nuclear quantum effects (NQEs), the ionic diffusions are largely higher than the classical treatment by the magnitude from 20% to 146% as the temperature is decreased from 1 eV to 0.3 eV at 10 g/cm3, meanwhile, electrical and thermal conductivities are significantly lowered. In particular, the ionic diffusion is found much larger than that without NQEs even when both the ionic distributions are the same at 1 eV. The significant quantum delocalization of ions introduces remarkably different scattering cross section between protons compared with classical particle treatments, which explains the large difference of transport properties induced by NQEs. The Stokes-Einstein relation, Wiedemann-Franz law, and isotope effects are re-examined, showing different behaviors in nuclear quantum dynamics. PMID:24968754

Hard versus soft dynamics for adsorption-desorption kinetics: Exact results in one-dimension.

PubMed

Manzi, S J; Huespe, V J; Belardinelli, R E; Pereyra, V D

2009-11-01

The adsorption-desorption kinetics is discussed in the framework of the kinetic lattice-gas model. The master equation formalism has been introduced to describe the evolution of the system, where the transition probabilities are written as an expansion of the occupation configurations of all neighboring sites. Since the detailed balance principle determines half of the coefficients that arise from the expansion, it is necessary to introduce ad hoc, a dynamic scheme to get the rest of them. Three schemes of the so-called hard dynamics, in which the probability of transition from single site cannot be factored into a part which depends only on the interaction energy and one that only depends on the field energy, and five schemes of the so-called soft dynamics, in which this factorization is possible, were introduced for this purpose. It is observed that for the hard dynamic schemes, the equilibrium and nonequilibrium observables, such as adsorption isotherms, sticking coefficients, and thermal desorption spectra, have a normal or physical sustainable behavior. While for the soft dynamics schemes, with the exception of the transition state theory, the equilibrium and nonequilibrium observables have several problems. Some of them can be regarded as abnormal behavior.

Nonequilibrium magnetic properties in a two-dimensional kinetic mixed Ising system within the effective-field theory and Glauber-type stochastic dynamics approach.

PubMed

Ertaş, Mehmet; Deviren, Bayram; Keskin, Mustafa

2012-11-01

Nonequilibrium magnetic properties in a two-dimensional kinetic mixed spin-2 and spin-5/2 Ising system in the presence of a time-varying (sinusoidal) magnetic field are studied within the effective-field theory (EFT) with correlations. The time evolution of the system is described by using Glauber-type stochastic dynamics. The dynamic EFT equations are derived by employing the Glauber transition rates for two interpenetrating square lattices. We investigate the time dependence of the magnetizations for different interaction parameter values in order to find the phases in the system. We also study the thermal behavior of the dynamic magnetizations, the hysteresis loop area, and dynamic correlation. The dynamic phase diagrams are presented in the reduced magnetic field amplitude and reduced temperature plane and we observe that the system exhibits dynamic tricritical and reentrant behaviors. Moreover, the system also displays a double critical end point (B), a zero-temperature critical point (Z), a critical end point (E), and a triple point (TP). We also performed a comparison with the mean-field prediction in order to point out the effects of correlations and found that some of the dynamic first-order phase lines, which are artifacts of the mean-field approach, disappeared.

Instrumental requirements for the detection of electron beam-induced object excitations at the single atom level in high-resolution transmission electron microscopy.

PubMed

Kisielowski, C; Specht, P; Gygax, S M; Barton, B; Calderon, H A; Kang, J H; Cieslinski, R

2015-01-01

This contribution touches on essential requirements for instrument stability and resolution that allows operating advanced electron microscopes at the edge to technological capabilities. They enable the detection of single atoms and their dynamic behavior on a length scale of picometers in real time. It is understood that the observed atom dynamic is intimately linked to the relaxation and thermalization of electron beam-induced sample excitation. Resulting contrast fluctuations are beam current dependent and largely contribute to a contrast mismatch between experiments and theory if not considered. If explored, they open the possibility to study functional behavior of nanocrystals and single molecules at the atomic level in real time. Copyright © 2014 Elsevier Ltd. All rights reserved.

Surfaces and interfaces of glass and ceramics; Proceedings of the International Symposium on Special Topics in Ceramics, Alfred University, Alfred, N.Y., August 27-29, 1973

NASA Technical Reports Server (NTRS)

Frechette, V. D. (Editor); Lacourse, W. C.; Burdick, V. L.

1974-01-01

The characterization of surfaces and interfaces is considered along with the infrared spectra of several N-containing compounds absorbed on montmorillonites, applications of surface characterization techniques to glasses, the observation of electronic spectra in glass and ceramic surfaces, a method for determining the preferred orientation of crystallites normal to a surface, and the friction and wear behavior of glasses and ceramics. Attention is given to the wear behavior of cast surface composites, an experimental investigation of the dynamic and thermal characteristics of the ceramic stock removal process, a dynamic elastic model of ceramic stock removal, and the structure and properties of solid surfaces. Individual items are announced in this issue.

Mechanical properties of moso bamboo treated with chemical agents

Treesearch

Benhua Fei; Zhijia Liu; Zehui Jiang; Zhiyong Cai

2013-01-01

Bamboo is a type of biomass material and has great potential as a bioenergy resource for the future in China. Surface chemical and thermal–mechanical behavior play an important role in the manufacturing process of bamboo composites and pellets. In this study, moso bamboo was treated by sodium hydrate solution and acetic acid solution. Surface chemical and dynamic...

Dynamical and statistical behavior of discrete combustion waves: a theoretical and numerical study.

PubMed

Bharath, Naine Tarun; Rashkovskiy, Sergey A; Tewari, Surya P; Gundawar, Manoj Kumar

2013-04-01

We present a detailed theoretical and numerical study of combustion waves in a discrete one-dimensional disordered system. The distances between neighboring reaction cells were modeled with a gamma distribution. The results show that the random structure of the microheterogeneous system plays a crucial role in the dynamical and statistical behavior of the system. This is a consequence of the nonlinear interaction of the random structure of the system with the thermal wave. An analysis of the experimental data on the combustion of a gasless system (Ti + xSi) and a wide range of thermite systems was performed in view of the developed model. We have shown that the burning rate of the powder system sensitively depends on its internal structure. The present model allows for reproducing theoretically the experimental data for a wide range of pyrotechnic mixtures. We show that Arrhenius' macrokinetics at combustion of disperse systems can take place even in the absence of Arrhenius' microkinetics; it can have a purely thermal nature and be related to their heterogeneity and to the existence of threshold temperature. It is also observed that the combustion of disperse systems always occurs in the microheterogeneous mode according to the relay-race mechanism.

Dynamical and statistical behavior of discrete combustion waves: A theoretical and numerical study

NASA Astrophysics Data System (ADS)

Bharath, Naine Tarun; Rashkovskiy, Sergey A.; Tewari, Surya P.; Gundawar, Manoj Kumar

2013-04-01

We present a detailed theoretical and numerical study of combustion waves in a discrete one-dimensional disordered system. The distances between neighboring reaction cells were modeled with a gamma distribution. The results show that the random structure of the microheterogeneous system plays a crucial role in the dynamical and statistical behavior of the system. This is a consequence of the nonlinear interaction of the random structure of the system with the thermal wave. An analysis of the experimental data on the combustion of a gasless system (Ti + xSi) and a wide range of thermite systems was performed in view of the developed model. We have shown that the burning rate of the powder system sensitively depends on its internal structure. The present model allows for reproducing theoretically the experimental data for a wide range of pyrotechnic mixtures. We show that Arrhenius’ macrokinetics at combustion of disperse systems can take place even in the absence of Arrhenius’ microkinetics; it can have a purely thermal nature and be related to their heterogeneity and to the existence of threshold temperature. It is also observed that the combustion of disperse systems always occurs in the microheterogeneous mode according to the relay-race mechanism.

Stress and temperature dependence of screw dislocation mobility in {alpha}-Fe by molecular dynamics

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

Gilbert, M. R.; Queyreau, S.; Marian, J.

2011-11-01

The low-temperature plastic yield of {alpha}-Fe single crystals is known to display a strong temperature dependence and to be controlled by the thermally activated motion of screw dislocations. In this paper, we present molecular dynamics simulations of (1/2)<111>{l_brace}112{r_brace} screw dislocation motion as a function of temperature and stress in order to extract mobility relations that describe the general dynamic behavior of screw dislocations in pure {alpha}-Fe. We find two dynamic regimes in the stress-velocity space governed by different mechanisms of motion. Consistent with experimental evidence, at low stresses and temperatures, the dislocations move by thermally activated nucleation and propagation ofmore » kink pairs. Then, at a critical stress, a temperature-dependent transition to a viscous linear regime is observed. Critical output from the simulations, such as threshold stresses and the stress dependence of the kink activation energy, are compared to experimental data and other atomistic works with generally very good agreement. Contrary to some experimental interpretations, we find that glide on {l_brace}112{r_brace} planes is only apparent, as slip always occurs by elementary kink-pair nucleation/propagation events on {l_brace}110{r_brace} planes. Additionally, a dislocation core transformation from compact to dissociated has been identified above room temperature, although its impact on the general mobility is seen to be limited. This and other observations expose the limitations of inferring or presuming dynamic behavior on the basis of only static calculations. We discuss the relevance and applicability of our results and provide a closed-form functional mobility law suitable for mesoscale computational techniques.« less

Diffusion of GPI-anchored proteins is influenced by the activity of dynamic cortical actin.

PubMed

Saha, Suvrajit; Lee, Il-Hyung; Polley, Anirban; Groves, Jay T; Rao, Madan; Mayor, Satyajit

2015-11-05

Molecular diffusion at the surface of living cells is believed to be predominantly driven by thermal kicks. However, there is growing evidence that certain cell surface molecules are driven by the fluctuating dynamics of cortical cytoskeleton. Using fluorescence correlation spectroscopy, we measure the diffusion coefficient of a variety of cell surface molecules over a temperature range of 24-37 °C. Exogenously incorporated fluorescent lipids with short acyl chains exhibit the expected increase of diffusion coefficient over this temperature range. In contrast, we find that GPI-anchored proteins exhibit temperature-independent diffusion over this range and revert to temperature-dependent diffusion on cell membrane blebs, in cells depleted of cholesterol, and upon acute perturbation of actin dynamics and myosin activity. A model transmembrane protein with a cytosolic actin-binding domain also exhibits the temperature-independent behavior, directly implicating the role of cortical actin. We show that diffusion of GPI-anchored proteins also becomes temperature dependent when the filamentous dynamic actin nucleator formin is inhibited. However, changes in cortical actin mesh size or perturbation of branched actin nucleator Arp2/3 do not affect this behavior. Thus cell surface diffusion of GPI-anchored proteins and transmembrane proteins that associate with actin is driven by active fluctuations of dynamic cortical actin filaments in addition to thermal fluctuations, consistent with expectations from an "active actin-membrane composite" cell surface. © 2015 Saha et al. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

Thermal conductivity of graphene with defects induced by electron beam irradiation

NASA Astrophysics Data System (ADS)

Malekpour, Hoda; Ramnani, Pankaj; Srinivasan, Srilok; Balasubramanian, Ganesh; Nika, Denis L.; Mulchandani, Ashok; Lake, Roger K.; Balandin, Alexander A.

2016-07-01

We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. High-quality graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission electron microscopy grid, and suspended over ~7.5 μm size square holes. Defects are induced by irradiation of graphene with the low-energy electron beam (20 keV) and quantified by the Raman D-to-G peak intensity ratio. As the defect density changes from 2.0 × 1010 cm-2 to 1.8 × 1011 cm-2 the thermal conductivity decreases from ~(1.8 +/- 0.2) × 103 W mK-1 to ~(4.0 +/- 0.2) × 102 W mK-1 near room temperature. At higher defect densities, the thermal conductivity reveals an intriguing saturation-type behavior at a relatively high value of ~400 W mK-1. The thermal conductivity dependence on the defect density is analyzed using the Boltzmann transport equation and molecular dynamics simulations. The results are important for understanding phonon - point defect scattering in two-dimensional systems and for practical applications of graphene in thermal management.We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. High-quality graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission electron microscopy grid, and suspended over ~7.5 μm size square holes. Defects are induced by irradiation of graphene with the low-energy electron beam (20 keV) and quantified by the Raman D-to-G peak intensity ratio. As the defect density changes from 2.0 × 1010 cm-2 to 1.8 × 1011 cm-2 the thermal conductivity decreases from ~(1.8 +/- 0.2) × 103 W mK-1 to ~(4.0 +/- 0.2) × 102 W mK-1 near room temperature. At higher defect densities, the thermal conductivity reveals an intriguing saturation-type behavior at a relatively high value of ~400 W mK-1. The thermal conductivity dependence on the defect density is analyzed using the Boltzmann transport equation and molecular dynamics simulations. The results are important for understanding phonon - point defect scattering in two-dimensional systems and for practical applications of graphene in thermal management. Electronic supplementary information (ESI) available: Additional thermal conductivity measurements data. See DOI: 10.1039/c6nr03470e

Effect of electron beam irradiation on thermal and crystallization behavior of PP/EPDM blend

NASA Astrophysics Data System (ADS)

Balaji, Anand Bellam; Ratnam, Chantara Thevy; Khalid, Mohammad; Walvekar, Rashmi

2017-12-01

The irradiation stability of ethylene-propylene diene terpolymer (EPDM)/ polypropylene (PP) blends is studied in an attempt to develop radiation compatible PP/EPDM blends suitable for medical applications. The PP/EPDM blends with mixing ratios of 80/20, 50/50/ 20/80 were prepared in an internal mixer at 165 °C and a rotor speed of 50 rpm followed by compression molding. The blends and the individual components were irradiated using 3.0 MeV electron beam (EB) accelerator at doses ranging from 0 to 100 kGy in air and room temperature. Later, the PP/EPDM blends were subjected to gel content, thermal stability, crystallization and dynamic mechanical properties before and after irradiation. Results revealed that the irradiation-induced crosslinking in the PP/EPDM blend increases with the increasing irradiation dose and the EPDM content in the blend. However, the thermal stability of the blends did not show any significant changes upon irradiation. The dynamic mechanical analysis shows that the EPDM rich blend has higher compatibility than PP dominant blends. A further improvement in the blend compatibility found to be achieved upon irradiation.

Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopy.

PubMed

Basire, Marie; Borgis, Daniel; Vuilleumier, Rodolphe

2013-08-14

Langevin dynamics coupled to a quantum thermal bath (QTB) allows for the inclusion of vibrational quantum effects in molecular dynamics simulations at virtually no additional computer cost. We investigate here the ability of the QTB method to reproduce the quantum Wigner distribution of a variety of model potentials, designed to assess the performances and limits of the method. We further compute the infrared spectrum of a multidimensional model of proton transfer in the gas phase and in solution, using classical trajectories sampled initially from the Wigner distribution. It is shown that for this type of system involving large anharmonicities and strong nonlinear coupling to the environment, the quantum thermal bath is able to sample the Wigner distribution satisfactorily and to account for both zero point energy and tunneling effects. It leads to quantum time correlation functions having the correct short-time behavior, and the correct associated spectral frequencies, but that are slightly too overdamped. This is attributed to the classical propagation approximation rather than the generation of the quantized initial conditions themselves.

Effects of state recovery on creep buckling under variable loading

NASA Technical Reports Server (NTRS)

Robinson, D. N.; Arnold, S. M.

1986-01-01

Structural alloys embody internal mechanisms that allow recovery of state with varying stress and elevated temperature, i.e., they can return to a softer state following periods of hardening. Such material behavior is known to strongly influence structural response under some important thermomechanical loadings, for example, that involving thermal ratchetting. The influence of dynamic and thermal recovery on the creep buckling of a column under variable loading is investigated. The column is taken as the idealized (Shanley) sandwich column. The constitutive model, unlike the commonly employed Norton creep model, incorporates a representation of both dynamic and thermal (state) recovery. The material parameters of the constitutive model are chosen to characterize Narloy Z, a representative copper alloy used in thrust nozzle liners of reusable rocket engines. Variable loading histories include rapid cyclic unloading/reloading sequences and intermittent reductions of load for extended periods of time; these are superimposed on a constant load. The calculated results show that state recovery significantly affects creep buckling under variable loading. Structural alloys embody internal mechanisms that allow recovery of state with varying stress and time.

Thermomechanical deformation testing and modeling in the presence of metallurgical instabilities. M.S. Thesis - Akron Univ. Final Report

NASA Technical Reports Server (NTRS)

Castelli, Michael G.

1990-01-01

A number of viscoplastic constitutive models were developed to describe deformation behavior under complex combinations of thermal and mechanical loading. Questions remain, however, regarding the validity of procedures used to characterize these models for specific structural alloys. One area of concern is that the majority of experimental data available for this purpose are determined under isothermal conditions. This experimental study is aimed at determining whether viscoplastic constitutive theories characterized using an isothermal data base can adequately model material response under the complex thermomechanical loading conditions typical of power generation service. The approach adopted was to conduct a series of carefully controlled thermomechanical experiments on a nickel-based superalloy, Hastelloy Alloy X. Previous investigations had shown that this material experiences metallurgical instabilities leading to complex hardening behavior, termed dynamic strain aging. Investigating this phenomenon under full thermomechanical conditions leads to a number of challenging experimental difficulties which up to the present work were unresolved. To correct this situation, a number of advances were made in thermomechanical testing techniques. Advanced methods for dynamic temperature gradient control, phasing control and thermal strain compensation were developed and incorporated into real time test control software. These advances allowed the thermomechanical data to be analyzed with minimal experimental uncertainty. The thermomechanical results were evaluated on both a phenomenological and microstructural basis. Phenomenological results revealed that the thermomechanical hardening trends were not bounded by those displayed under isothermal conditions. For the case of Hastelloy Alloy X (and similar dynamic strain aging materials), this strongly suggests that some form of thermomechanical testing is necessary when characterizing a thermoviscoplastic deformation model. Transmission electron microscopy was used to study the microstructural physics, and analyze the unique phenomenological behavior.

Controlling Thermal Expansion: A Metal–Organic Frameworks Route

PubMed Central

2016-01-01

Controlling thermal expansion is an important, not yet resolved, and challenging problem in materials research. A conceptual design is introduced here, for the first time, for the use of metal–organic frameworks (MOFs) as platforms for controlling thermal expansion devices that can operate in the negative, zero, and positive expansion regimes. A detailed computer simulation study, based on molecular dynamics, is presented to support the targeted application. MOF-5 has been selected as model material, along with three molecules of similar size and known differences in terms of the nature of host–guest interactions. It has been shown that adsorbate molecules can control, in a colligative way, the thermal expansion of the solid, so that changing the adsorbate molecules induces the solid to display positive, zero, or negative thermal expansion. We analyze in depth the distortion mechanisms, beyond the ligand metal junction, to cover the ligand distortions, and the energetic and entropic effect on the thermo-structural behavior. We provide an unprecedented atomistic insight on the effect of adsorbates on the thermal expansion of MOFs as a basic tool toward controlling the thermal expansion. PMID:28190918

The Compressive Behavior of Isocyanate-crosslinked Silica Aerogel at High Strain Rates

NASA Technical Reports Server (NTRS)

Luo, H.; Lu, H.; Leventis, N.

2006-01-01

Aerogels are low-density, highly nano-porous materials. Their engineering applications are limited due to their brittleness and hydrophilicity. Recently, a strong lightweight crosslinked silica aerogel has been developed by encapsulating the skeletal framework of amine-modified silica aerogels with polyureas derived by isocyanate. The mesoporous structure of the underlying silica framework is preserved through conformal polymer coating, and the thermal conductivity remains low. Characterization has been conducted on the thermal, physical properties and the mechanical properties under quasi-static loading conditions. In this paper, we present results on the dynamic compressive behavior of the crosslinked silica aerogel (CSA) using a split Hopkinson pressure bar (SHPB). A new tubing pulse shaper was employed to help reach the dynamic stress equilibrium and constant strain rate. The stress-strain relationship was determined at high strain rates within 114-4386/s. The effects of strain rate, density, specimen thickness and water absorption on the dynamic behavior of the CSA were investigated through a series of dynamic experiments. The Young's moduli (or 0.2% offset compressive yield strengths) at a strain rate approx.350/s were determined as 10.96/2.08, 159.5/6.75, 192.2/7.68, 304.6/11.46, 407.0/20.91 and 640.5/30.47 MPa for CSA with densities 0.205, 0.454, 0.492, 0.551,0.628 and 0.731 g/cu cm, respectively. The deformation and failure behaviors of a native silica aerogel with density (0.472 g/cu cm ), approximately the same as a typical CSA sample were observed with a high speed digital camera. Digital image correlation technique was used to determine the surface strains through a series of images acquired using high speed photography. The relative uniform axial deformation indicated that localized compaction did not occur at a compressive strain level of approx.17%, suggesting most likely failure mechanism at high strain rate to be different from that under quasi-static loading condition. The Poisson s ratio was determined to be 0.162 in nonlinear regime under high strain rates. CSA samples failed generally by splitting, but were much more ductile than native silica aerogels.

Application of dynamic slip wall modeling to a turbine nozzle guide vane

NASA Astrophysics Data System (ADS)

Bose, Sanjeeb; Talnikar, Chaitanya; Blonigan, Patrick; Wang, Qiqi

2015-11-01

Resolution of near-wall turbulent structures is computational prohibitive necessitating the need for wall-modeled large-eddy simulation approaches. Standard wall models are often based on assumptions of equilibrium boundary layers, which do not necessarily account for the dissimilarity of the momentum and thermal boundary layers. We investigate the use of the dynamic slip wall boundary condition (Bose and Moin, 2014) for the prediction of surface heat transfer on a turbine nozzle guide vane (Arts and de Rouvroit, 1992). The heat transfer coefficient is well predicted by the slip wall model, including capturing the transition to turbulence. The sensitivity of the heat transfer coefficient to the incident turbulence intensity will additionally be discussed. Lastly, the behavior of the thermal and momentum slip lengths will be contrasted between regions where the strong Reynolds analogy is invalid (near transition on the suction side) and an isothermal, zero pressure gradient flat plate boundary layer (Wu and Moin, 2010).

Thermalization of topological entropy after a quantum quench

NASA Astrophysics Data System (ADS)

Zeng, Yu; Hamma, Alioscia; Fan, Heng

2016-09-01

Topologically ordered quantum phases are robust in the sense that perturbations in the Hamiltonian of the system will not change the topological nature of the ground-state wave function. However, in order to exploit topological order for applications such as self-correcting quantum memories and information processing, these states need to be also robust both dynamically and at finite temperature in the presence of an environment. It is well known that systems like the toric code in two spatial dimensions are fragile in temperature. In this paper, we show a completely analytic treatment of the toric code away from equilibrium, after a quantum quench of the system Hamiltonian. We show that, despite being subject to unitary evolution (and at zero temperature), the long-time behavior of the topological entropy is thermal, therefore vanishing. If the quench preserves a local gauge structure, there is a residual long-lived topological entropy. This also is the thermal behavior in presence of such gauge constraints. The result is obtained by studying the time evolution of the topological 2-Rényi entropy in a fully analytical, exact way.

Thermal phase transition behavior of lipid layers on a single human corneocyte cell.

PubMed

Imai, Tomohiro; Nakazawa, Hiromitsu; Kato, Satoru

2013-09-01

We have improved the selected area electron diffraction method to analyze the dynamic structural change in a single corneocyte cell non-invasively stripped off from human skin surface. The improved method made it possible to obtain reliable diffraction images to trace the structural change in the intercellular lipid layers on a single corneocyte cell during heating from 24°C to 100°C. Comparison of the results with those of synchrotron X-ray diffraction experiments on human stratum corneum sheets revealed that the intercellular lipid layers on a corneocyte cell exhibit essentially the same thermal phase transitions as those in a stratum corneum sheet. These results suggest that the structural features of the lipid layers are well preserved after the mechanical stripping of the corneocyte cell. Moreover, electron diffraction analyses of the thermal phase transition behaviors of the corneocyte cells that had the lipid layers with different distributions of orthorhombic and hexagonal domains at 24°C suggested that small orthorhombic domains interconnected with surrounding hexagonal domains transforms in a continuous manner into new hexagonal domains. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Do sex, body size and reproductive condition influence the thermal preferences of a large lizard? A study in Tupinambis merianae.

PubMed

Cecchetto, Nicolas Rodolfo; Naretto, Sergio

2015-10-01

Body temperature is a key factor in physiological processes, influencing lizard performances; and life history traits are expected to generate variability of thermal preferences in different individuals. Gender, body size and reproductive condition may impose specific requirements on preferred body temperatures. If these three factors have different physiological functions and thermal requirements, then the preferred temperature may represent a compromise that optimizes these physiological functions. Therefore, the body temperatures that lizards select in a controlled environment may reflect a temperature that maximizes their physiological needs. The tegu lizard Tupinambis merianae is one of the largest lizards in South America and has wide ontogenetic variation in body size and sexual dimorphism. In the present study we evaluate intraspecific variability of thermal preferences of T. merianae. We determined the selected body temperature and the rate at which males and females attain their selected temperature, in relation to body size and reproductive condition. We also compared the behavior in the thermal gradient between males and females and between reproductive condition of individuals. Our study show that T. merianae selected body temperature within a narrow range of temperatures variation in the laboratory thermal gradient, with 36.24±1.49°C being the preferred temperature. We observed no significant differences between sex, body size and reproductive condition in thermal preferences. Accordingly, we suggest that the evaluated categories of T. merianae have similar thermal requirements. Males showed higher rates to obtain heat than females and reproductive females, higher rates than non-reproductive ones females. Moreover, males and reproductive females showed a more dynamic behavior in the thermal gradient. Therefore, even though they achieve the same selected temperature, they do it differentially. Copyright © 2015 Elsevier Ltd. All rights reserved.

Results of an Analysis of Field Studies of the Intrinsic Dynamic Characteristics Important for the Safety of Nuclear Power Plant Equipment

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

Kaznovsky, A. P., E-mail: kaznovskyap@atech.ru; Kasiyanov, K. G.; Ryasnyj, S. I.

2015-01-15

A classification of the equipment important for the safety of nuclear power plants is proposed in terms of its dynamic behavior under seismic loading. An extended bank of data from dynamic tests over the entire range of thermal and mechanical equipment in generating units with VVER-1000 and RBMK-1000 reactors is analyzed. Results are presented from a study of the statistical behavior of the distribution of vibrational frequencies and damping decrements with the “small perturbation” factor that affects the measured damping decrements taken into account. A need to adjust the regulatory specifications for choosing the values of the damping decrements withmore » specified inertial loads on equipment owing to seismic effects during design calculations is identified. Minimum values of the decrements are determined and proposed for all types of equipment as functions of the directions and natural vibration frequencies of the dynamic interactions to be adopted as conservative standard values in the absence of actual experimental data in the course of design studies of seismic resistance.« less

Ionic transport in high-energy-density matter

DOE PAGES

Stanton, Liam G.; Murillo, Michael S.

2016-04-08

Ionic transport coefficients for dense plasmas have been numerically computed using an effective Boltzmann approach. Here, we developed a simplified effective potential approach that yields accurate fits for all of the relevant cross sections and collision integrals. These results have been validated with molecular-dynamics simulations for self-diffusion, interdiffusion, viscosity, and thermal conductivity. Molecular dynamics has also been used to examine the underlying assumptions of the Boltzmann approach through a categorization of behaviors of the velocity autocorrelation function in the Yukawa phase diagram. By using a velocity-dependent screening model, we examine the role of dynamical screening in transport. Implications of thesemore » results for Coulomb logarithm approaches are discussed.« less

Thermal vibration of rectangular single-layered black phosphorus predicted by orthotropic plate model

NASA Astrophysics Data System (ADS)

Zhang, Yiqing; Wang, Lifeng; Jiang, Jingnong

2018-03-01

Vibrational behavior is very important for nanostructure-based resonators. In this work, an orthotropic plate model together with a molecular dynamics (MD) simulation is used to investigate the thermal vibration of rectangular single-layered black phosphorus (SLBP). Two bending stiffness, two Poisson's ratios, and one shear modulus of SLBP are calculated using the MD simulation. The natural frequency of the SLBP predicted by the orthotropic plate model agrees with the one obtained from the MD simulation very well. The root of mean squared (RMS) amplitude of the SLBP is obtained by MD simulation and the orthotropic plate model considering the law of energy equipartition. The RMS amplitude of the thermal vibration of the SLBP is predicted well by the orthotropic plate model compared to the MD results. Furthermore, the thermal vibration of the SLBP with an initial stress is also well-described by the orthotropic plate model.

Scale dependency of fracture energy and estimates thereof via dynamic rupture solutions with strong thermal weakening

NASA Astrophysics Data System (ADS)

Viesca, R. C.; Garagash, D.

2013-12-01

Seismological estimates of fracture energy show a scaling with the total slip of an earthquake [e.g., Abercrombie and Rice, GJI 2005]. Potential sources for this scale dependency are coseismic fault strength reductions that continue with increasing slip or an increasing amount of off-fault inelastic deformation with dynamic rupture propagation [e.g., Andrews, JGR 2005; Rice, JGR 2006]. Here, we investigate the former mechanism by solving for the slip dependence of fracture energy at the crack tip of a dynamically propagating rupture in which weakening takes place by strong reductions of friction via flash heating of asperity contacts and thermal pressurization of pore fluid leading to reductions in effective normal stress. Laboratory measurements of small characteristic slip evolution distances for friction (~10 μm at low slip rates of μm-mm/s, possibly up to 1 mm for slip rates near 0.1 m/s) [e.g., Marone and Kilgore, Nature 1993; Kohli et al., JGR 2011] imply that flash weakening of friction occurs at small slips before any significant thermal pressurization and may thus have a negligible contribution to the total fracture energy [Brantut and Rice, GRL 2011; Garagash, AGU 2011]. The subsequent manner of weakening under thermal pressurization (the dominant contributor to fracture energy) spans a range of behavior from the deformation of a finite-thickness shear zone in which diffusion is negligible (i.e., undrained-adiabatic) to that in which large-scale diffusion obscures the existence of a thin shear zone and thermal pressurization effectively occurs by the heating of slip on a plane. Separating the contribution of flash heating, the dynamic rupture solutions reduce to a problem with a single parameter, which is the ratio of the undrained-adiabatic slip-weakening distance (δc) to the characteristic slip-on-a-plane slip-weakening distance (L*). However, for any value of the parameter, there are two end-member scalings of the fracture energy: for small slip, the undrained-adiabatic behavior expectedly results in fracture energy scaling as G ~ δ^2, and for large slip (where TP approaches slip on a plane) we find that G ~ δ^(2/3). This last result is a slight correction to estimates made assuming a constant, kinematically imposed slip rate and slip-on-a-plane TP resulting in G ~ δ^(1/2) [Rice, JGR 2006]. We compile fracture energy estimates of both continental and subduction zone earthquakes. In doing so, we incorporate independent estimates of fault prestress to distinguish fracture energy G from the parameter G' defined by Abercrombie and Rice [2005], which represents the energetic quantity that is most directly inferred following seismological estimates of radiated energy, seismic moment and source radius. We find that the dynamic rupture solutions (which account for the variable manner of thermal pressurization and result in a self-consistent slip rate history) allow for a close match of the estimated fracture energy over several orders of total event slip, further supporting the proposed explanation that fracture energy scaling may largely be attributed to a fault strength that weakens gradually with slip, and additionally, the potential prevalence of thermal pressurization.

Tectonic plates, D (double prime) thermal structure, and the nature of mantle plumes

NASA Technical Reports Server (NTRS)

Lenardic, A.; Kaula, W. M.

1994-01-01

It is proposed that subducting tectonic plates can affect the nature of thermal mantle plumes by determining the temperature drop across a plume source layer. The temperature drop affects source layer stability and the morphology of plumes emitted from it. Numerical models are presented to demonstrate how introduction of platelike behavior in a convecting temperature dependent medium, driven by a combination of internal and basal heating, can increase the temperature drop across the lower boundary layer. The temperature drop increases dramatically following introduction of platelike behavior due to formation of a cold temperature inversion above the lower boundary layer. This thermal inversion, induced by deposition of upper boundary layer material to the system base, decays in time, but the temperature drop across the lower boundary layer always remains considerably higher than in models lacking platelike behavior. On the basis of model-inferred boundary layer temperature drops and previous studies of plume dynamics, we argue that generally accepted notions as to the nature of mantle plumes on Earth may hinge on the presence of plates. The implication for Mars and Venus, planets apparently lacking plate tectonics, is that mantle plumes of these planets may differ morphologically from those of Earth. A corollary model-based argument is that as a result of slab-induced thermal inversions above the core mantle boundary the lower most mantle may be subadiabatic, on average (in space and time), if major plate reorganization timescales are less than those acquired to diffuse newly deposited slab material.

Role of thermal history in atomic dynamics of chalcogenide glass: A case study on Ge{sub 20}Te{sub 80} glass

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

Sharma, Yashika; Kalra, Geetanjali; Murugavel, Sevi, E-mail: murug@physics.du.ac.in

The non-existence of thermodynamic equilibrium in glasses, their thermal history plays a very crucial role in explaining the relaxation behavior in various time scales and its configurational states. More importantly, the associated relaxation behavior is related mainly to the structural phenomenon of the glasses. Here, we report the dependence of quenching rate on the variation of structural units. The local structures of these glasses are monitored by recording the Raman spectroscopy and related to the different configurational states. The observed variations in structural differences are reflected in the measured density of the corresponding glasses. The quenching rate dependent of themore » relative fractions of edge-shared and corner-shared GeTe{sub 4} tetrahedral units are shown to be consistent with the corresponding variations in the measured density values.« less

Modeling of the flow behavior of SAE 8620H combing microstructure evolution in hot forming

NASA Astrophysics Data System (ADS)

Fu, Xiaobin; Wang, Baoyu; Tang, Xuefeng

2017-10-01

With the development of net-shape forming technology, hot forming process is widely applied to manufacturing gear parts, during which, materials suffer severe plastic distortion and microstructure changes continually. In this paper, to understand and model the flow behavior and microstructure evolution, SAE 8620H, a widely used gear steel, is selected as the object and the flow behavior and microstructure evolution are observed by an isothermal hot compression tests at 1273-1373 K with a strain rate of 0.1-10 s-1. Depending on the results of the compression test, a set of internal-state-variable based unified constitutive equations is put forward to describe the flow behavior and microstructure evaluation of SAE 8620H. Moreover, the evaluation of the dislocation density and the fraction of dynamic recrystallization based on the theory of thermal activation is modeled and reincorporated into the constitutive law. The material parameters in the constitutive model are calculated based on the measured flow stress and dynamic recrystallization fraction. The predicted flow stress under different deformation conditions has a good agreement with the measured results.

Orion Active Thermal Control System Dynamic Modeling Using Simulink/MATLAB

NASA Technical Reports Server (NTRS)

Wang, Xiao-Yen J.; Yuko, James

2010-01-01

This paper presents dynamic modeling of the crew exploration vehicle (Orion) active thermal control system (ATCS) using Simulink (Simulink, developed by The MathWorks). The model includes major components in ATCS, such as heat exchangers and radiator panels. The mathematical models of the heat exchanger and radiator are described first. Four different orbits were used to validate the radiator model. The current model results were compared with an independent Thermal Desktop (TD) (Thermal Desktop, PC/CAD-based thermal model builder, developed in Cullimore & Ring (C&R) Technologies) model results and showed good agreement for all orbits. In addition, the Orion ATCS performance was presented for three orbits and the current model results were compared with three sets of solutions- FloCAD (FloCAD, PC/CAD-based thermal/fluid model builder, developed in C&R Technologies) model results, SINDA/FLUINT (SINDA/FLUINT, a generalized thermal/fluid network-style solver ) model results, and independent Simulink model results. For each case, the fluid temperatures at every component on both the crew module and service module sides were plotted and compared. The overall agreement is reasonable for all orbits, with similar behavior and trends for the system. Some discrepancies exist because the control algorithm might vary from model to model. Finally, the ATCS performance for a 45-hr nominal mission timeline was simulated to demonstrate the capability of the model. The results show that the ATCS performs as expected and approximately 2.3 lb water was consumed in the sublimator within the 45 hr timeline before Orion docked at the International Space Station.

Li-Diffusion in Spinel Li[Ni1/2Mn3/2]O4 Powder and Film Studied with μ+SR

NASA Astrophysics Data System (ADS)

Sugiyama, Jun; Nozaki, Hiroshi; Umegaki, Izumi; Mukai, Kazuhiko; Cottrell, Stephen P.; Shiraki, Susumu; Hitosugi, Taro; Sassa, Yasmine; Suter, Andreas; Salman, Zaher; Prokscha, Thomas; Månsson, Martin

A dynamic behavior in spinel Li[Ni1/2Mn3/2]O4 has been studied with μ+SR measurements in film and powder samples in the temperature range between 5 and 500 K. Both samples exhibited a broad ferromagnetic transition below 120 K, indicating the random distribution of Ni and Mn ions at the octahedral 16d site. Above 150 K, the ZF-μ+SR spectrum showed a dynamic behavior well explained by a dynamic Kubo-Toyabe function. Assuming a jump diffusion of Li+ at the tetrahedral 8a site to the vacant octahedral 16c site, a diffusion coefficient of Li+ is estimated as ˜5 × 10-11 cm2/s at 300 K and ˜8 × 10-11 cm2/s at 350 K and ˜14 × 10-11 cm2/s at 400 K, with thermal activation energy Ea ˜ 0.1 eV.

Dynamic observation on the growth behaviors in manganese silicide/silicon nanowire heterostructures.

PubMed

Hsieh, Yu-Hsun; Chiu, Chung-Hua; Huang, Chun-Wei; Chen, Jui-Yuan; Lin, Wan-Jhen; Wu, Wen-Wei

2015-02-07

Metal silicide nanowires (NWs) are very interesting materials with diverse physical properties. Among the silicides, manganese silicide nanostructures have attracted wide attention due to their several potential applications, including in microelectronics, optoelectronics, spintronics and thermoelectric devices. In this work, we exhibited the formation of pure manganese silicide and manganese silicide/silicon nanowire heterostructures through solid state reaction with line contacts between manganese pads and silicon NWs. Dynamical process and phase characterization were investigated by in situ transmission electron microscopy (in situ TEM) and spherical aberration corrected scanning transmission electron microscopy (Cs-corrected STEM), respectively. The growth dynamics of the manganese silicide phase under thermal effects were systematically studied. Additionally, Al2O3, serving as the surface oxide, altered the growth behavior of the MnSi nanowire, enhancing the silicide/Si epitaxial growth and effecting the diffusion process in the silicon nanowire as well. In addition to fundamental science, this significant study has great potential in advancing future processing techniques in nanotechnology and related applications.

Configurations and Dynamics of Semi-Flexible Polymers in Good and Poor Solvents

NASA Astrophysics Data System (ADS)

Larson, Ronald

We develop coarse-graining procedures for determining the conformational and dynamic behavior of semi-flexible chains with and without flow using Brownian dynamics (BD) simulations that are insensitive to the degree of coarse-graining. In the absence of flow, in a poor solvent, we find three main collapsed states: torus, bundle, and globule over a range of dimensionless ratios of the three energy parameters, namely solvent-polymer surface energy, energy of polymer folds, and polymer bending energy or persistence length. A theoretical phase diagram, confirmed by BD simulations, captures the general phase behavior of a single long chain (>10 Kuhn lengths) at moderately high (order unity) dimensionless temperature, which is the ratio of thermal energy to the attractive interaction between neighboring monomers. We also find converged results for polymer conformations in shear or extensional flow in solvents of various qualities and determine scaling laws for chain dimensions for low, moderate, and high Weissenberg numbers Wi. We also derive scaling laws to describe chains dimensions and tumbling rates in these regimes.

Shape memory polymer network with thermally distinct elasticity and plasticity.

PubMed

Zhao, Qian; Zou, Weike; Luo, Yingwu; Xie, Tao

2016-01-01

Stimuli-responsive materials with sophisticated yet controllable shape-changing behaviors are highly desirable for real-world device applications. Among various shape-changing materials, the elastic nature of shape memory polymers allows fixation of temporary shapes that can recover on demand, whereas polymers with exchangeable bonds can undergo permanent shape change via plasticity. We integrate the elasticity and plasticity into a single polymer network. Rational molecular design allows these two opposite behaviors to be realized at different temperature ranges without any overlap. By exploring the cumulative nature of the plasticity, we demonstrate easy manipulation of highly complex shapes that is otherwise extremely challenging. The dynamic shape-changing behavior paves a new way for fabricating geometrically complex multifunctional devices.

Strain effect on the heat transport properties of bismuth telluride nanofilms with a hole

NASA Astrophysics Data System (ADS)

Fang, Te-Hua; Chang, Win-Jin; Wang, Kuan-Yu; Huang, Chao-Chun

2018-06-01

We investigated the mechanical behavior of bismuth telluride nanofilms with holes by using an equilibrium molecular dynamics (MD) approach. The holes had diameters of 20, 30, 40, and 50 Å. The thermal conductivity values of the nanofilms were calculated under different strains at different temperatures using a nonequilibrium MD simulation. The simulation revealed that the thermal conductivity of a bismuth telluride nanofilm with a hole decreases with an increase in hole diameter at different strains. For a film with a perfect structure at 300 K, a 48% reduction (from 0.33 to 0.17 W/m K) in the thermal conductivity was observed at a 7% tensile strain. In addition, the thermal conductivity increased by approximately 39% (from 0.33 to 0.46 W/m K) at a 7% compressive strain. A very low value (0.11 W/m K) of thermal conductivity is obtained for the nanofilm with a hole diameter of 50 Å at a 7% tensile strain at 300 K.

Experimental Results from the Thermal Energy Storage-1 (TES-1) Flight Experiment

NASA Technical Reports Server (NTRS)

Wald, Lawrence W.; Tolbert, Carol; Jacqmin, David

1995-01-01

The Thermal Energy Storage-1 (TES-1) is a flight experiment that flew on the Space Shuttle Columbia (STS-62), in March 1994, as part of the OAST-2 mission. TES-1 is the first experiment in a four experiment suite designed to provide data for understanding the long duration microgravity behavior of thermal energy storage fluoride salts that undergo repeated melting and freezing. Such data have never been obtained before and have direct application for the development of space-based solar dynamic (SD) power systems. These power systems will store solar energy in a thermal energy salt such as lithium fluoride or calcium fluoride. The stored energy is extracted during the shade portion of the orbit. This enables the solar dynamic power system to provide constant electrical power over the entire orbit. Analytical computer codes have been developed for predicting performance of a spaced-based solar dynamic power system. Experimental verification of the analytical predictions is needed prior to using the analytical results for future space power design applications. The four TES flight experiments will be used to obtain the needed experimental data. This paper will focus on the flight results from the first experiment, TES-1, in comparison to the predicted results from the Thermal Energy Storage Simulation (TESSIM) analytical computer code. The TES-1 conceptual development, hardware design, final development, and system verification testing were accomplished at the NASA lewis Research Center (LeRC). TES-1 was developed under the In-Space Technology Experiment Program (IN-STEP), which sponsors NASA, industry, and university flight experiments designed to enable and enhance space flight technology. The IN-STEP Program is sponsored by the Office of Space Access and Technology (OSAT).

Thermal protection for hypervelocity flight in earth's atmosphere by use of radiation backscattering ablating materials

NASA Technical Reports Server (NTRS)

Howe, John T.; Yang, Lily

1991-01-01

A heat-shield-material response code predicting the transient performance of a material subject to the combined convective and radiative heating associated with the hypervelocity flight is developed. The code is dynamically interactive to the heating from a transient flow field, including the effects of material ablation on flow field behavior. It accomodates finite time variable material thickness, internal material phase change, wavelength-dependent radiative properties, and temperature-dependent thermal, physical, and radiative properties. The equations of radiative transfer are solved with the material and are coupled to the transfer energy equation containing the radiative flux divergence in addition to the usual energy terms.

Effect of ionization on the oxidation kinetics of aluminum nanoparticles

NASA Astrophysics Data System (ADS)

Zheng, Yao-Ting; He, Min; Cheng, Guang-xu; Zhang, Zaoxiao; Xuan, Fu-Zhen; Wang, Zhengdong

2018-03-01

Molecular dynamics simulation (MD) of the observed stepwise oxidation of core-shell structured Al/Al2O3 nanoparticles is presented. Different from the metal ion hopping process in the Cabrera-Mott model, which is assumed to occur only at a certain distance from the oxide layer, the MD simulation shows that Al atoms jump over various interfacial gaps directly under the thermal driving force. The energy barrier for Al ionization is found to be increased along with the enlargement of interfacial gap. A mechanism of competition between thermal driving force and ionization potential barrier is proposed in the interpretation of stepwise oxidation behavior.

Universal slow dynamics in granular solids

PubMed

TenCate; Smith; Guyer

2000-07-31

Experimental properties of a new form of creep dynamics are reported, as manifest in a variety of sandstones, limestone, and concrete. The creep is a recovery behavior, following the sharp drop in elastic modulus induced either by nonlinear acoustic straining or rapid temperature change. The extent of modulus recovery is universally proportional to the logarithm of the time after source discontinuation in all samples studied, over a scaling regime covering at least 10(3) s. Comparison of acoustically and thermally induced creep suggests a single origin based on internal strain, which breaks the symmetry of the inducing source.

Mars

NASA Technical Reports Server (NTRS)

Kieffer, Hugh H. (Editor); Jakosky, Bruce M. (Editor); Snyder, Conway W. (Editor); Matthews, Mildred S. (Editor)

1992-01-01

The present volume on Mars discusses visual, photographic and polarimetric telescopic observations, spacecraft exploration of Mars, the origin and thermal evolution of Mars, and the bulk composition, mineralogy, and internal structure of the planet. Attention is given to Martian gravity and topography, stress and tectonics on Mars, long-term orbital and spin dynamics of Mars, and Martian geodesy and cartography. Topics addressed include the physical volcanology of Mars, the canyon system on planet, Martian channels and valley networks, and ice in the Martian regolith. Also discussed are Martian aeolian processes, sediments, and features, polar deposits of Mars, dynamics of the Martian atmosphere, and the seasonal behavior of water on Mars.

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

PubMed

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

2013-10-09

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

Phonon thermal conductivity of monolayer MoS{sub 2}

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

Wang, Xiaonan; Tabarraei, Alireza, E-mail: atabarra@uncc.edu

We use nonequilibrium molecular dynamics modeling using Stillinger–Weber interatomic potential to investigate the thermal properties of monolayer molybdenum disulfide (MoS{sub 2}) nanoribbons. We study the impact of factors such as length, edge chirality, monovacancies, and uniaxial stretching on the thermal conductivity of MoS{sub 2} nanoribbons. Our results show that longer ribbons have a higher thermal conductivity, and the thermal conductivity of infinitely long zigzag and armchair MoS{sub 2} nanoribbons is, respectively, 54 W/mK and 33 W/mK. This is significantly lower than the thermal conductivity of some other graphene-like two-dimensional materials such as graphene and boron nitride. While the presence of molybdenum ormore » sulfur vacancies reduces the thermal conductivity of ribbons, molybdenum vacancies have a more deteriorating effect on thermal conductivities. We also have studied the impact of uniaxial stretching on the thermal conductivity of MoS{sub 2} nanoribbons. The results show that in contrast to three dimensional materials, thermal conductivity of MoS{sub 2} is fairly insensitive to stretching. We have used the phonon dispersion curves and group velocities to investigate the mechanism of this unexpected behavior. Our results show that tensile strain does not alter the phonon dispersion curves and hence the thermal conductivity does not change.« less

Grain size distribution in sheared polycrystals

NASA Astrophysics Data System (ADS)

Sarkar, Tanmoy; Biswas, Santidan; Chaudhuri, Pinaki; Sain, Anirban

2017-12-01

Plastic deformation in solids induced by external stresses is of both fundamental and practical interest. Using both phase field crystal modeling and molecular dynamics simulations, we study the shear response of monocomponent polycrystalline solids. We subject mesocale polycrystalline samples to constant strain rates in a planar Couette flow geometry for studying its plastic flow, in particular its grain deformation dynamics. As opposed to equilibrium solids where grain dynamics is mainly driven by thermal diffusion, external stress/strain induce a much higher level of grain deformation activity in the form of grain rotation, coalescence, and breakage, mediated by dislocations. Despite this, the grain size distribution of this driven system shows only a weak power-law correction to its equilibrium log-normal behavior. We interpret the grain reorganization dynamics using a stochastic model.

Quantum parameter estimation in the Unruh–DeWitt detector model

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

Hao, Xiang, E-mail: xhao@phas.ubc.ca; Pacific Institute of Theoretical Physics, Department of Physics and Astronomy, University of British Columbia, 6224 Agriculture Rd., Vancouver B.C., Canada V6T 1Z1; Wu, Yinzhong

2016-09-15

Relativistic effects on the precision of quantum metrology for particle detectors, such as two-level atoms are studied. The quantum Fisher information is used to estimate the phase sensitivity of atoms in non-inertial motions or in gravitational fields. The Unruh–DeWitt model is applicable to the investigation of the dynamics of a uniformly accelerated atom weakly coupled to a massless scalar vacuum field. When a measuring device is in the same relativistic motion as the atom, the dynamical behavior of quantum Fisher information as a function of Rindler proper time is obtained. It is found out that monotonic decrease in phase sensitivitymore » is characteristic of dynamics of relativistic quantum estimation. The origin of the decay of quantum Fisher information is the thermal bath that the accelerated detector finds itself in due to the Unruh effect. To improve relativistic quantum metrology, we reasonably take into account two reflecting plane boundaries perpendicular to each other. The presence of the reflecting boundary can shield the detector from the thermal bath in some sense.« less

Particle size effect on strength, failure, and shock behavior in polytetrafluoroethylene-Al-W granular composite materials

NASA Astrophysics Data System (ADS)

Herbold, E. B.; Nesterenko, V. F.; Benson, D. J.; Cai, J.; Vecchio, K. S.; Jiang, F.; Addiss, J. W.; Walley, S. M.; Proud, W. G.

2008-11-01

The variation of metallic particle size and sample porosity significantly alters the dynamic mechanical properties of high density granular composite materials processed using a cold isostatically pressed mixture of polytetrafluoroethylene (PTFE), aluminum (Al), and tungsten (W) powders. Quasistatic and dynamic experiments are performed with identical constituent mass fractions with variations in the size of the W particles and pressing conditions. The relatively weak polymer matrix allows the strength and fracture modes of this material to be governed by the granular type behavior of agglomerated metal particles. A higher ultimate compressive strength was observed in relatively high porosity samples with small W particles compared to those with coarse W particles in all experiments. Mesoscale granular force chains of the metallic particles explain this unusual phenomenon as observed in hydrocode simulations of a drop-weight test. Macrocracks forming below the critical failure strain for the matrix and unusual behavior due to a competition between densification and fracture in dynamic tests of porous samples were also observed. Numerical modeling of shock loading of this granular composite material demonstrated that the internal energy, specifically thermal energy, of the soft PTFE matrix can be tailored by the W particle size distribution.

High-temperature dynamic behavior in bulk liquid water: A molecular dynamics simulation study using the OPC and TIP4P-Ew potentials

NASA Astrophysics Data System (ADS)

Gabrieli, Andrea; Sant, Marco; Izadi, Saeed; Shabane, Parviz Seifpanahi; Onufriev, Alexey V.; Suffritti, Giuseppe B.

2018-02-01

Classical molecular dynamics simulations were performed to study the high-temperature (above 300 K) dynamic behavior of bulk water, specifically the behavior of the diffusion coefficient, hydrogen bond, and nearest-neighbor lifetimes. Two water potentials were compared: the recently proposed "globally optimal" point charge (OPC) model and the well-known TIP4P-Ew model. By considering the Arrhenius plots of the computed inverse diffusion coefficient and rotational relaxation constants, a crossover from Vogel-Fulcher-Tammann behavior to a linear trend with increasing temperature was detected at T* ≈ 309 and T* ≈ 285 K for the OPC and TIP4P-Ew models, respectively. Experimentally, the crossover point was previously observed at T* ± 315-5 K. We also verified that for the coefficient of thermal expansion α P ( T, P), the isobaric α P ( T) curves cross at about the same T* as in the experiment. The lifetimes of water hydrogen bonds and of the nearest neighbors were evaluated and were found to cross near T*, where the lifetimes are about 1 ps. For T < T*, hydrogen bonds persist longer than nearest neighbors, suggesting that the hydrogen bonding network dominates the water structure at T < T*, whereas for T > T*, water behaves more like a simple liquid. The fact that T* falls within the biologically relevant temperature range is a strong motivation for further analysis of the phenomenon and its possible consequences for biomolecular systems.

Probing the magnetic behavior of single nanodots.

PubMed

Neumann, Alexander; Thönnissen, Carsten; Frauen, Axel; Hesse, Simon; Meyer, Andreas; Oepen, Hans Peter

2013-05-08

In this paper, a method is presented that has the sensitivity to measure magnetization behavior of single nanostructures. It is demonstrated that the technique gives the ability to separate different signals of single nanodots from a small ensemble of structures. Our method is based on the anomalous Hall-Effect and allows for resolving signals from spherical nanoparticles with diameter down to 3.5 nm. The method gives access to magnetic properties of particles in a wide thermal and dynamical range. The potential of the technique is demonstrated utilizing particles that are created from Co films sandwiched by Pt layers.

A Biophysical Model for Hawaiian Coral Reefs: Coupling Local Ecology, Larval Transport and Climate Change

NASA Astrophysics Data System (ADS)

Kapur, M. R.

2016-02-01

Simulative models of reef ecosystems have been used to evaluate ecological responses to a myriad of disturbance events, including fishing pressure, coral bleaching, invasion by alien species, and nutrient loading. The Coral Reef Scenario Evaluation Tool (CORSET), has been developed and instantiated for both the Meso-American Reef (MAR) and South China Sea (SCS) regions. This model is novel in that it accounts for the many scales at which reef ecosystem processes take place; is comprised of a "bottom-up" structure wherein complex behaviors are not pre-programmed, but emergent and highly portable to new systems. Local-scale dynamics are coupled across regions through larval connectivity matrices, derived sophisticated particle transport simulations that include key elements of larval behavior. By this approach, we are able to directly evaluate some of the potential consequences of larval connectivity patterns across a range of spatial scales and under multiple climate scenarios. This work develops and applies the CORSET (Coral Reef Scenario Evaluation Tool) to the Main Hawaiian Islands under a suite of climate and ecological scenarios. We introduce an adaptation constant into reef-building coral dynamics to simulate observed resiliencies to bleaching events. This presentation will share results from the model's instantiation under two Resource Concentration Pathway climate scenarios, with emphasis upon larval connectivity dynamics, emergent coral tolerance to increasing thermal anomalies, and patterns of spatial fishing closures. Results suggest that under a business-as-usual scenario, thermal tolerance and herbivore removal will have synergistic effects on reef resilience.

ROMP-based thermosetting polymers from modified castor oil with various cross-linking agents

NASA Astrophysics Data System (ADS)

Ding, Rui

Polymers derived from bio-renewable resources are finding an increase in global demand. In addition, polymers with distinctive functionalities are required in certain advanced fields, such as aerospace and civil engineering. In an attempt to meet both these needs, the goal of this work aims to develop a range of bio-based thermosetting matrix polymers for potential applications in multifunctional composites. Ring-opening metathesis polymerization (ROMP), which recently has been explored as a powerful method in polymer chemistry, was employed as a unique pathway to polymerize agricultural oil-based reactants. Specifically, a novel norbornyl-functionalized castor oil alcohol (NCA) was investigated to polymerize different cross-linking agents using ROMP. The effects of incorporating dicyclopentadiene (DCPD) and a norbornene-based crosslinker (CL) were systematically evaluated with respect to curing behavior and thermal mechanical properties of the polymers. Isothermal differential scanning calorimetry (DSC) was used to investigate the conversion during cure. Dynamic DSC scans at multiple heating rates revealed conversion-dependent activation energy by Ozawa-Flynn-Wall analysis. The glass transition temperature, storage modulus, and loss modulus for NCA/DCPD and NCA/CL copolymers with different cross-linking agent loading were compared using dynamic mechanical analysis. Cross-link density was examined to explain the very different dynamic mechanical behavior. Mechanical stress-strain curves were developed through tensile test, and thermal stability of the cross-linked polymers was evaluated by thermogravimetric analysis to further investigate the structure-property relationships in these systems.

Improved Dynamic Modeling of the Cascade Distillation Subsystem and Integration with Models of Other Water Recovery Subsystems

NASA Technical Reports Server (NTRS)

Perry, Bruce; Anderson, Molly

2015-01-01

The Cascade Distillation Subsystem (CDS) is a rotary multistage distiller being developed to serve as the primary processor for wastewater recovery during long-duration space missions. The CDS could be integrated with a system similar to the International Space Station (ISS) Water Processor Assembly (WPA) to form a complete Water Recovery System (WRS) for future missions. Independent chemical process simulations with varying levels of detail have previously been developed using Aspen Custom Modeler (ACM) to aid in the analysis of the CDS and several WPA components. The existing CDS simulation could not model behavior during thermal startup and lacked detailed analysis of several key internal processes, including heat transfer between stages. The first part of this paper describes modifications to the ACM model of the CDS that improve its capabilities and the accuracy of its predictions. Notably, the modified version of the model can accurately predict behavior during thermal startup for both NaCl solution and pretreated urine feeds. The model is used to predict how changing operating parameters and design features of the CDS affects its performance, and conclusions from these predictions are discussed. The second part of this paper describes the integration of the modified CDS model and the existing WPA component models into a single WRS model. The integrated model is used to demonstrate the effects that changes to one component can have on the dynamic behavior of the system as a whole.

The physical and functional thermal sensitivity of bacterial chemoreceptors.

PubMed

Frank, Vered; Koler, Moriah; Furst, Smadar; Vaknin, Ady

2011-08-19

The bacterium Escherichia coli exhibits chemotactic behavior at temperatures ranging from approximately 20 °C to at least 42 °C. This behavior is controlled by clusters of transmembrane chemoreceptors made from trimers of dimers that are linked together by cross-binding to cytoplasmic components. By detecting fluorescence energy transfer between various components of this system, we studied the underlying molecular behavior of these receptors in vivo and throughout their operating temperature range. We reveal a sharp modulation in the conformation of unclustered and clustered receptor trimers and, consequently, in kinase activity output. These modulations occurred at a characteristic temperature that depended on clustering and were lower for receptors at lower adaptational states. However, in the presence of dynamic adaptation, the response of kinase activity to a stimulus was sustained up to 45 °C, but sensitivity notably decreased. Thus, this molecular system exhibits a clear thermal sensitivity that emerges at the level of receptor trimers, but both receptor clustering and adaptation support the overall robust operation of the system at elevated temperatures. Copyright © 2011 Elsevier Ltd. All rights reserved.

Theoretical and Experimental Studies of Functionalized Carbon Nanotubes for Improved Thermal Conductivity

NASA Astrophysics Data System (ADS)

Kerr, Alexander; Burt, Timothy; Mullen, Kieran; Glatzhofer, Daniel; Houck, Matthew; Huang, Paul

The use of carbon nanotubes (CNTs) to improve the thermal conductivity of composite materials is thwarted by their large thermal boundary resistance. We study how to overcome this Kapitza resistance by functionalizing CNTs with mixed molecular chains. Certain configurations of chains improve the transmission of thermal vibrations through our systems by decreasing phonon mismatch between the CNTs and their surrounding matrix. Through the calculation of vibrational normal modes and Green's functions, we develop a variety of computational metrics to compare the thermal conductivity (κ) of our systems. We show how different configurations of attached chains affect the samples' κ values by varying chain identity, chain length, number of chains, and heat driver behavior. We vary the parameters to maximize κ. To validate and optimize these metrics, we perform molecular dynamics simulations for comparison. We also present experimental results of composites enhanced with CNTs and make comparisons to the theory. We observe that some composites are thermally improved with the inclusion of CNTs, while others are scarcely changed, in agreement with theoretical models. This work was supported by NSF Grant DMR-1310407.

A Reduced Order Model for Whole-Chip Thermal Analysis of Microfluidic Lab-on-a-Chip Systems

PubMed Central

Wang, Yi; Song, Hongjun; Pant, Kapil

2013-01-01

This paper presents a Krylov subspace projection-based Reduced Order Model (ROM) for whole microfluidic chip thermal analysis, including conjugate heat transfer. Two key steps in the reduced order modeling procedure are described in detail, including (1) the acquisition of a 3D full-scale computational model in the state-space form to capture the dynamic thermal behavior of the entire microfluidic chip; and (2) the model order reduction using the Block Arnoldi algorithm to markedly lower the dimension of the full-scale model. Case studies using practically relevant thermal microfluidic chip are undertaken to establish the capability and to evaluate the computational performance of the reduced order modeling technique. The ROM is compared against the full-scale model and exhibits good agreement in spatiotemporal thermal profiles (<0.5% relative error in pertinent time scales) and over three orders-of-magnitude acceleration in computational speed. The salient model reusability and real-time simulation capability renders it amenable for operational optimization and in-line thermal control and management of microfluidic systems and devices. PMID:24443647

Concrete Behavior under Dynamic Tensile-Compressive Load.

DTIC Science & Technology

1984-01-01

be reviewed as well. Although structural concrete does not possess the thermal cracking problems during curing to the extent that mass concrete does...reasonable bounds for these unknown properties were assumed, suggests that the extent of cracking induced by seismic ground motion can be very...space. But an understanding of biaxial tension-compression be- havior is the foremost concern, since the stress state of a dam’s cracked regions occur in

Factors affecting temperature variation and habitat use in free-ranging diamondback terrapins.

PubMed

Akins, C D; Ruder, C D; Price, S J; Harden, L A; Gibbons, J W; Dorcas, M E

2014-08-01

Measuring the thermal conditions of aquatic reptiles with temperature dataloggers is a cost-effective way to study their behavior and habitat use. Temperature dataloggers are a particularly useful and informative approach to studying organisms such as the estuarine diamondback terrapin (Malaclemys terrapin) that inhabits a dynamic environment often inaccessible to researchers. We used carapace-mounted dataloggers to measure hourly carapace temperature (Tc) of free-ranging terrapins in South Carolina from October 2007 to 2008 to examine the effects of month, sex, creek site, and tide on Tc and to determine the effects of month, sex, and time of day on terrapin basking frequency. Simultaneous measurements of environmental temperatures (Te; shallow mud, deep mud, water) allowed us to make inferences about terrapin microhabitat use. Terrapin Tc differed significantly among months and creek and between sexes. Terrapin microhabitat use also varied monthly, with shallow mud temperature being the best predictor of Tc November-March and water temperature being the best predictor of Tc April-October. Terrapins basked most frequently in spring and fall and males basked more frequently than females. Our study contributes to a fuller understanding of terrapin thermal biology and provides support for using dataloggers to investigate behavior and habitat use of aquatic ectotherms inhabiting dynamic environments. Copyright © 2014 Elsevier Ltd. All rights reserved.

Influence of the multilayer coating obtained by the HVOF method on behavior of the steel barrier at dynamic loading

NASA Astrophysics Data System (ADS)

Radchenko, Pavel; Radchenko, Andrey; Batuev, Stanislav

2013-06-01

The high velocity (supersonic) oxy-fuel (HVOF) thermal spray technology is a rather recent addition to family of thermal spray processes. This technique is considered most modern of technologies of spraying. The increase in velocity of the particles at lower temperatures allowed reducing level of oxidation of the particles and to increase the density of a powder coating. In HVOF dry dusting applicators of the first and second generations was used the cylindrical nozzle, whereas in the third generation expanding Laval nozzles are used. This method allows the velocity of a gas flow to exceed to 2000 m/sec, and the velocities of the powder particles 800 m/sec. Recently many results on elastic and strength properties of the multilayer coatings obtained by supersonic flame spraying method are received. But the main part of works on research of the coating obtained by the HVOF method is devoted to research of their stress-strain state at static loadings. In this work the behavior of the steel barrier with the multilayer coating applied by HVOF is researched, at dynamic loading of projectile structure at different velocities of interaction. The problem was solved numerically within Lagrangian approach, a finite element method with the use of the explicit finite difference scheme of G. Johnson.

Thermal, creep-recovery and viscoelastic behavior of high density polyethylene/hydroxyapatite nano particles for bone substitutes: effects of gamma radiation.

PubMed

Alothman, Othman Y; Fouad, H; Al-Zahrani, S M; Eshra, Ayman; Al Rez, Mohammed Fayez; Ansari, S G

2014-08-28

High Density Polyethylene (HDPE) is one of the most often used polymers in biomedical applications. The limitations of HDPE are its visco-elastic behavior, low modulus and poor bioactivity. To improve HDPE properties, HA nanoparticles can be added to form polymer composite that can be used as alternatives to metals for bone substitutes and orthopaedic implant applications. In our previous work (BioMedical Engineering OnLine 2013), different ratios of HDPE/HA nanocomposites were prepared using melt blending in a co-rotating intermeshing twin screw extruder. The accelerated aging effects on the tensile properties and torsional viscoelastic behavior (storage modulus (G') and Loss modulus (G")) at 80°C of irradiated and non-irradiated HDPE/HA was investigated. Also the thermal behavior of HDPE/HA were studied. In this study, the effects of gamma irradiation on the tensile viscoelastic behavior (storage modulus (E') and Loss modulus (E")) at 25°C examined for HDPE/HA nanocomposites at different frequencies using Dynamic Mechanical Analysis (DMA). The DMA was also used to analyze creep-recovery and relaxation properties of the nanocomposites. To analyze the thermal behavior of the HDPE/HA nanocomposite, Differential Scanning Calorimetry (DSC) was used. The microscopic examination of the cryogenically fractured surface revealed a reasonable distribution of HA nanoparticles in the HDPE matrix. The DMA showed that the tensile storage and loss modulus increases with increasing the HA nanoparticles ratio and the test frequency. The creep-recovery behavior improves with increasing the HA nanoparticle content. Finally, the results indicated that the crystallinity, viscoelastic, creep recovery and relaxation behavior of HDPE nanocomposite improved due to gamma irradiation. Based on the experimental results, it is found that prepared HDPE nanocomposite properties improved due to the addition of HA nanoparticles and irradiation. So, the prepared HDPE/HA nanocomposite appears to have fairly good comprehensive properties that make it a good candidate as bone substitute.

On the photoresponse of several novel functionalized oligoacene and anthradithiophene derivatives

NASA Astrophysics Data System (ADS)

Day, Jonathan

The results of an investigation into carrier dynamics in several novel functionalized and solution-processable pentacene and anthradithiophene derivatives are reported. Measurements were made of real-time photoresponse of polycrystalline thin films of these materials to ultrafast laser pulses, on picosecond to microsecond time-scales, as well as measurements of dark current and current under steady illumination. This data was taken over varied field-strength, light intensity and temperature. The results support a model for carrier generation and transport with the following features. Carrier photo-generation is assisted weakly, if it is assisted at all, thermally or by applied fields. Carriers are initially (picosecond to nanosecond time-scales) in extended states and transport is "bandlike." Carriers then relax into more localized states, transported via thermally assisted hopping (nanosecond to second time-scales). This model was supported by further experiments with the electric behavior of films prepared from a pure anthradithophene derivative, doped with either the buckminsterfullerene C60 or with other molecular dopants. These results also show that samples with traps of known density and depth can be prepared, as a means of manipulating transport dynamics. The electronic and photo-electronic behaviors of films with self-anodized aluminum and of films with gold electrodes were compared, and a model of the particular energy profile and dynamics which exist at the different interfaces between the films and the different contacts was developed. This model views the metal-organic-metal system as an anode-to-anode Schottky strucure, whose I-V relation is shaped both by the nature of the interface dynamics for different metal contacts, and by the different distributions of space-charge in the thin film between different electrodes.

Thermal effects on nonlinear vibration of a carbon nanotube-based mass sensor using finite element analysis

NASA Astrophysics Data System (ADS)

Kang, Dong-Keun; Kim, Chang-Wan; Yang, Hyun-Ik

2017-01-01

In the present study we carried out a dynamic analysis of a CNT-based mass sensor by using a finite element method (FEM)-based nonlinear analysis model of the CNT resonator to elucidate the combined effects of thermal effects and nonlinear oscillation behavior upon the overall mass detection sensitivity. Mass sensors using carbon nanotube (CNT) resonators provide very high sensing performance. Because CNT-based resonators can have high aspect ratios, they can easily exhibit nonlinear oscillation behavior due to large displacements. Also, CNT-based devices may experience high temperatures during their manufacture and operation. These geometrical nonlinearities and temperature changes affect the sensing performance of CNT-based mass sensors. However, it is very hard to find previous literature addressing the detection sensitivity of CNT-based mass sensors including considerations of both these nonlinear behaviors and thermal effects. We modeled the nonlinear equation of motion by using the von Karman nonlinear strain-displacement relation, taking into account the additional axial force associated with the thermal effect. The FEM was employed to solve the nonlinear equation of motion because it can effortlessly handle the more complex geometries and boundary conditions. A doubly clamped CNT resonator actuated by distributed electrostatic force was the configuration subjected to the numerical experiments. Thermal effects upon the fundamental resonance behavior and the shift of resonance frequency due to attached mass, i.e., the mass detection sensitivity, were examined in environments of both high and low (or room) temperature. The fundamental resonance frequency increased with decreasing temperature in the high temperature environment, and increased with increasing temperature in the low temperature environment. The magnitude of the shift in resonance frequency caused by an attached mass represents the sensing performance of a mass sensor, i.e., its mass detection sensitivity, and it can be seen that this shift is affected by the temperature change and the amount of electrostatic force. The thermal effects on the mass detection sensitivity are intensified in the linear oscillation regime and increase with increasing CNT length; this intensification can either improve or worsen the detection sensitivity.

Model for the analysis of sun radiation structures exposed to open air: consideration of its validity and usefulness based on its experimentation in situ

NASA Astrophysics Data System (ADS)

Bottoni, Mario; Fabretti, Giuseppe

2001-03-01

The definition of the thermal dynamics of a structure-work of cultural interest is important both from the microclimatic point of view and from the structural one. Elastic and plastic deformations, due to phenomena of heat exchange, influence, in a significant way, the mechanical behavior of the structure. Dealing with objects exposed to open air, one of the main sources of heat radiation is, obviously, the sun. Consequently, it is significant to evaluate the importance that solar radiation has in the global heating dynamics of the structure. Therefore, while studying the system Marcus Aurelius- Capitolium square, it was decided to support the investigations in situ (carried out by using thermovision and thermocouples) with the realization, on computer, of a system that could define the theoretical relationship existing between solar dynamics and the bronze monument. Correlation between information deduced from such a model and data obtained in situ, gave useful results and constituted a significant instrument for the analysis of the concrete thermal model of the investigated structure. The opportunity to deepen and improve such an experience arose when the Soprintendenza per i Beni Architettonici ed Ambientali di Firenze e Pistoia asked for a contribution to the studies and investigations aimed to define the thermal model of the Dome of Santa Maria del Fiore.

Shock Wave Dynamics in Weakly Ionized Plasmas

NASA Technical Reports Server (NTRS)

Johnson, Joseph A., III

1999-01-01

An investigation of the dynamics of shock waves in weakly ionized argon plasmas has been performed using a pressure ruptured shock tube. The velocity of the shock is observed to increase when the shock traverses the plasma. The observed increases cannot be accounted for by thermal effects alone. Possible mechanisms that could explain the anomalous behavior include a vibrational/translational relaxation in the nonequilibrium plasma, electron diffusion across the shock front resulting from high electron mobility, and the propagation of ion-acoustic waves generated at the shock front. Using a turbulence model based on reduced kinetic theory, analysis of the observed results suggest a role for turbulence in anomalous shock dynamics in weakly ionized media and plasma-induced hypersonic drag reduction.

High pressure study of molecular dynamics of protic ionic liquid lidocaine hydrochloride.

PubMed

Swiety-Pospiech, A; Wojnarowska, Z; Pionteck, J; Pawlus, S; Grzybowski, A; Hensel-Bielowka, S; Grzybowska, K; Szulc, A; Paluch, M

2012-06-14

In this paper, we investigate the effect of pressure on the molecular dynamics of protic ionic liquid lidocaine hydrochloride, a commonly used pharmaceutical, by means of dielectric spectroscopy and pressure-temperature-volume methods. We observed that near T(g) the pressure dependence of conductivity relaxation times reveals a peculiar behavior, which can be treated as a manifestation of decoupling between ion migration and structural relaxation times. Moreover, we discuss the validity of thermodynamic scaling in lidocaine HCl. We also employed the temperature-volume Avramov model to determine the value of pressure coefficient of glass transition temperature, dT(g)/dP|(P = 0.1). Finally, we investigate the role of thermal and density fluctuations in controlling of molecular dynamics of the examined compound.

Dynamic fluctuations in single-molecule biophysics experiments. Comment on "Extracting physics of life at the molecular level: A review of single-molecule data analyses" by W. Colomb and S.K. Sarkar

NASA Astrophysics Data System (ADS)

Krapf, Diego

2015-06-01

Single-molecule biophysics includes the study of isolated molecules and that of individual molecules within living cells. In both cases, dynamic fluctuations at the nanoscale play a critical role. Colomb and Sarkar emphasize how different noise sources affect the analysis of single molecule data [1]. Fluctuations in biomolecular systems arise from two very different mechanisms. On one hand thermal fluctuations are a predominant feature in the behavior of individual molecules. On the other hand, non-Gaussian fluctuations can arise from inter- and intramolecular interactions [2], spatial heterogeneities [3], non-Poisson external perturbations [4] and complex non-linear dynamics in general [5,6].

Finite Element Modeling of Deployment, and Foam Rigidization of Struts and Quarter Scale Shooting Star Experiment

NASA Technical Reports Server (NTRS)

Leigh, Larry, Jr.

2002-01-01

Inflated cylindrical struts constructed of kapton polyimide film and rigidized with foam have considerable practical application and potential for use as components of inflatable concentrator assemblies, antenna structures and space power systems, Because of their importance, it is of great interest to characterize the dynamic behavior of these components and structures both experimentally and analytically. It is very helpful to take a building-block approach to modeling and understanding inflatable assemblies by first investigating in detail the behavior of the components such as the struts. The foam material used for rigidization of such cylinders has varying modulus, which is a function of different factors, such as density of the foam. Thus, the primary motivation of the tests and analytical modeling efforts was to determine and understand the response of foam-rigidized cylinders for different densities, sizes, and construction methods, In recent years, inflatable structures have been the subject of renewed interest for space applications such as communications antennae, solar thermal propulsion, and space solar power. A major advantage of using inflatable structures in space is that they are extremely lightweight. This makes inflatables a perfect match for solar thermal propulsion because of the low thrust levels available. An obvious second advantage is on-orbit deployability and subsequent space savings in launch configuration. It can be seen that inflatable cylindrical struts and torus are critical components of structural assemblies. In view of this importance, structural dynamic and static behaviors of typical rigidized polyimide struts are investigated in this paper. The paper will focus on the finite element models that were used to model the behavior of the complete solar collector structure, and the results that they provided, as compared to test data.

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

Kumar, Jitendra; Collier, Nathan; Bisht, Gautam

Vast carbon stocks stored in permafrost soils of Arctic tundra are under risk of release to the atmosphere under warming climate scenarios. Ice-wedge polygons in the low-gradient polygonal tundra create a complex mosaic of microtopographic features. This microtopography plays a critical role in regulating the fine-scale variability in thermal and hydrological regimes in the polygonal tundra landscape underlain by continuous permafrost. Modeling of thermal regimes of this sensitive ecosystem is essential for understanding the landscape behavior under the current as well as changing climate. Here, we present an end-to-end effort for high-resolution numerical modeling of thermal hydrology at real-world fieldmore » sites, utilizing the best available data to characterize and parameterize the models. We also develop approaches to model the thermal hydrology of polygonal tundra and apply them at four study sites near Barrow, Alaska, spanning across low to transitional to high-centered polygons, representing a broad polygonal tundra landscape. A multiphase subsurface thermal hydrology model (PFLOTRAN) was developed and applied to study the thermal regimes at four sites. Using a high-resolution lidar digital elevation model (DEM), microtopographic features of the landscape were characterized and represented in the high-resolution model mesh. The best available soil data from field observations and literature were utilized to represent the complex heterogeneous subsurface in the numerical model. Simulation results demonstrate the ability of the developed modeling approach to capture – without recourse to model calibration – several aspects of the complex thermal regimes across the sites, and provide insights into the critical role of polygonal tundra microtopography in regulating the thermal dynamics of the carbon-rich permafrost soils. Moreover, areas of significant disagreement between model results and observations highlight the importance of field-based observations of soil thermal and hydraulic properties for modeling-based studies of permafrost thermal dynamics, and provide motivation and guidance for future observations that will help address model and data gaps affecting our current understanding of the system.« less

Floquet–Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

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

Kuwahara, Tomotaka, E-mail: tomotaka.phys@gmail.com; WPI, Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577; Mori, Takashi

2016-04-15

This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet–Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian onmore » the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems. -- Highlights: •A general framework to describe transient dynamics for periodically driven systems. •The theory is applicable to generic quantum many-body systems including long-range interacting systems. •Physical meaning of the truncation of the Floquet–Magnus expansion is rigorously established. •New mechanism of the prethermalization is proposed. •Revealing an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed.« less

Thermally Activated Deformation Behavior of ufg-Au: Environmental Issues During Long-Term and High-Temperature Nanoindentation Testing

NASA Astrophysics Data System (ADS)

Maier, Verena; Leitner, Alexander; Pippan, Reinhard; Kiener, Daniel

2015-12-01

For testing time-dependent material properties by nanoindentation, in particular for long-term creep or relaxation experiments, thermal drift influences on the displacement signal are of prime concern. To address this at room and elevated temperatures, we tested fused quartz at various contact depths at room temperature and ultra-fine grained (ufg) Au at various temperatures. We found that the raw data for fused quartz are strongly affected by thermal drift, but corrected by use of dynamic stiffness measurements all the datasets collapse. The situation for the ufg Au shows again that the data are only useful with drift correction, but with this applied it turns out that there is a significant change of elastic and plastic properties when exceeding 200°C, which is also reflected by an increasing strain rate sensitivity.

Optimization by means of an analytical heat transfer model of a thermal insulation for CSP applications based on radiative shields

NASA Astrophysics Data System (ADS)

Gaetano, A.; Roncolato, J.; Montorfano, D.; Barbato, M. C.; Ambrosetti, G.; Pedretti, A.

2016-05-01

The employment of new gaseous heat transfer fluids as air or CO2, which are cheaper and environmentally friendly, is drawing more and more attention within the field of Concentrated Solar Power applications. However, despite the advantages, their use requires receivers with a larger heat transfer area and flow cross section with a consequent greater volume of thermal insulation. Solid thermal insulations currently used present high thermal inertia which is energetically penalizing during the daily transient phases faced by the main plant components (e.g. receivers). With the aim of overcoming this drawback a thermal insulation based on radiative shields is presented in this study. Starting from an initial layout comprising a solid thermal insulation layer, the geometry was optimized avoiding the use of the solid insulation keeping performance and fulfilling the geometrical constraints. An analytical Matlab model was implemented to assess the system thermal behavior in terms of heat loss taking into account conductive, convective and radiative contributions. Accurate 2D Computational Fluid Dynamics (CFD) simulations were run to validate the Matlab model which was then used to select the most promising among three new different designs.

Interface Instabilities in the Interstellar Medium

NASA Technical Reports Server (NTRS)

Hunter, J. H., Jr.; Siopis, C.; Whitaker, R. W.; Lovelace, R. V. E.

1995-01-01

In the present communication, we reexamine two limiting cases of star-forming mechanisms involving self-gravity, thermodynamics, and velocity fields, that we believe must be ubiquitous in the ISM -- the generally oblique collision of supersonic gas streams or turbulent eddies. The general case of oblique collisions has not yet been examined. However, two limiting cases have been studied in detail: (1) The head-on collision of two identical gas streams that form dense, cool accretion shocks that become unstable and may form Jeans mass clouds, which subsequently undergo collapse. (2) Linearly unstable tangential velocity discontinuities, which result in Kelvin-Helmholtz (K-H) instabilities and related phenomena. The compressible K-H instabilities exhibit rich and unexpected behaviors. Moreover a new thermal-dynamic (T-D) mode was discovered that arises from the coupling of the perturbed thermal behavior and the unperturbed flow. The T-D mode has the curious characteristic that it may be strongly unstable to interface modes when the global modes in either medium are absolutely thermally stable. In the present communication additional models of case 1 are described and discussed, and self-gravity is added in the linear theory of tangential discontinuities, case 2. We prove that self-gravity fundamentally changes the behavior of interfacial modes -- density discontinuities (or steps) are inherently unstable on roughly the free-fall timescale of the denser medium to perturbations of all wavelengths.

Thermal- and pH-Dependent Size Variable Radical Nanoparticles and Its Water Proton Relaxivity for Metal-Free MRI Functional Contrast Agents.

PubMed

Morishita, Kosuke; Murayama, Shuhei; Araki, Takeru; Aoki, Ichio; Karasawa, Satoru

2016-09-16

For development of the metal-free MRI contrast agents, we prepared the supra-molecular organic radical, TEMPO-UBD, carrying TEMPO radical, as well as the urea, alkyl group, and phenyl ring, which demonstrate self-assembly behaviors using noncovalent bonds in an aqueous solution. In addition, TEMPO-UBD has the tertiary amine and the oligoethylene glycol chains (OEGs) for the function of pH and thermal responsiveness. By dynamic light scattering and transmission electron microscopy imaging, the resulting self-assembly was seen to form the spherical nanoparticles 10-150 nm in size. On heating, interestingly, the nanoparticles showed a lower critical solution temperature (LCST) behavior having two-step variation. This double-LCST behavior is the first such example among the supra-molecules. To evaluate of the ability as MRI contrast agents, the values of proton ((1)H) longitudinal relaxivity (r1) were determined using MRI apparatus. In conditions below and above CAC at pH 7.0, the distinguishable r1 values were estimated to be 0.17 and 0.21 mM(-1) s(1), indicating the suppression of fast tumbling motion of TEMPO moiety in a nanoparticle. Furthermore, r1 values became larger in the order of pH 7.0 > 9.0 > 5.0. Those thermal and pH dependencies indicated the possibility of metal-fee MRI functional contrast agents in the future.

The influence of the free space environment on the superlight-weight thermal protection system: conception, methods, and risk analysis

NASA Astrophysics Data System (ADS)

Yatsenko, Vitaliy; Falchenko, Iurii; Fedorchuk, Viktor; Petrushynets, Lidiia

2016-07-01

This report focuses on the results of the EU project "Superlight-weight thermal protection system for space application (LIGHT-TPS)". The bottom line is an analysis of influence of the free space environment on the superlight-weight thermal protection system (TPS). This report focuses on new methods that based on the following models: synergetic, physical, and computational. This report concentrates on four approaches. The first concerns the synergetic approach. The synergetic approach to the solution of problems of self-controlled synthesis of structures and creation of self-organizing technologies is considered in connection with the super-problem of creation of materials with new functional properties. Synergetics methods and mathematical design are considered according to actual problems of material science. The second approach describes how the optimization methods can be used to determine material microstructures with optimized or targeted properties. This technique enables one to find unexpected microstructures with exotic behavior (e.g., negative thermal expansion coefficients). The third approach concerns the dynamic probabilistic risk analysis of TPS l elements with complex characterizations for damages using a physical model of TPS system and a predictable level of ionizing radiation and space weather. Focusing is given mainly on the TPS model, mathematical models for dynamic probabilistic risk assessment and software for the modeling and prediction of the influence of the free space environment. The probabilistic risk assessment method for TPS is presented considering some deterministic and stochastic factors. The last approach concerns results of experimental research of the temperature distribution on the surface of the honeycomb sandwich panel size 150 x 150 x 20 mm at the diffusion welding in vacuum are considered. An equipment, which provides alignment of temperature fields in a product for the formation of equal strength of welded joints is considered. Many tasks in computational materials science can be posed as optimization problems. This technique enables one to find unexpected microstructures with exotic behavior (e.g., negative thermal expansion coefficients). The last approach is concerned with the generation of realizations of materials with specified but limited microstructural information: an intriguing inverse problem of both fundamental and practical importance. Computational models based upon the theories of molecular dynamics or quantum mechanics would enable the prediction and modification of fundamental materials properties. This problem is solved using deterministic and stochastic optimization techniques. The main optimization approaches in the frame of the EU project "Superlight-weight thermal protection system for space application" are discussed. Optimization approach to the alloys for obtaining materials with required properties using modeling techniques and experimental data will be also considered. This report is supported by the EU project "Superlight-weight thermal protection system for space application (LIGHT-TPS)"

Shape memory polymer network with thermally distinct elasticity and plasticity

PubMed Central

Zhao, Qian; Zou, Weike; Luo, Yingwu; Xie, Tao

2016-01-01

Stimuli-responsive materials with sophisticated yet controllable shape-changing behaviors are highly desirable for real-world device applications. Among various shape-changing materials, the elastic nature of shape memory polymers allows fixation of temporary shapes that can recover on demand, whereas polymers with exchangeable bonds can undergo permanent shape change via plasticity. We integrate the elasticity and plasticity into a single polymer network. Rational molecular design allows these two opposite behaviors to be realized at different temperature ranges without any overlap. By exploring the cumulative nature of the plasticity, we demonstrate easy manipulation of highly complex shapes that is otherwise extremely challenging. The dynamic shape-changing behavior paves a new way for fabricating geometrically complex multifunctional devices. PMID:26824077

Fluid mechanics in dentinal microtubules provides mechanistic insights into the difference between hot and cold dental pain.

PubMed

Lin, Min; Luo, Zheng Yuan; Bai, Bo Feng; Xu, Feng; Lu, Tian Jian

2011-03-23

Dental thermal pain is a significant health problem in daily life and dentistry. There is a long-standing question regarding the phenomenon that cold stimulation evokes sharper and more shooting pain sensations than hot stimulation. This phenomenon, however, outlives the well-known hydrodynamic theory used to explain dental thermal pain mechanism. Here, we present a mathematical model based on the hypothesis that hot or cold stimulation-induced different directions of dentinal fluid flow and the corresponding odontoblast movements in dentinal microtubules contribute to different dental pain responses. We coupled a computational fluid dynamics model, describing the fluid mechanics in dentinal microtubules, with a modified Hodgkin-Huxley model, describing the discharge behavior of intradental neuron. The simulated results agreed well with existing experimental measurements. We thence demonstrated theoretically that intradental mechano-sensitive nociceptors are not "equally sensitive" to inward (into the pulp) and outward (away from the pulp) fluid flows, providing mechanistic insights into the difference between hot and cold dental pain. The model developed here could enable better diagnosis in endodontics which requires an understanding of pulpal histology, neurology and physiology, as well as their dynamic response to the thermal stimulation used in dental practices.

Extending atomistic scale chemistry to mesoscale model of condensed-phase deflagration

NASA Astrophysics Data System (ADS)

Joshi, Kaushik; Chaudhuri, Santanu

2017-01-01

Predictive simulations connecting chemistry that follow the shock or thermal initiation of energetic materials to subsequent deflagration or detonation events is currently outside the realm of possibilities. Molecular dynamics and first-principles based dynamics have made progress in understanding reactions in picosecond to nanosecond time scale. Results from thermal ignition of different phases of RDX show a complex reaction network and emergence of a deterministic behavior for critical temperature before ignition and hot spot growth rates. The kinetics observed is dependent on the hot spot temperature, system size and thermal conductivity. For cases where ignition is observed, the incubation period is dominated by intermolecular and intramolecular hydrogen transfer reactions. The gradual temperature and pressure increase in the incubation period is accompanied by accumulation of heavier polyradicals. The challenge of connecting such chemistry in mesoscale simulations remain in reducing the complexity of chemistry. The hot spot growth kinetics in RDX grains and interfaces is an important challenge for reactive simulations aiming to fill in the gaps in our knowledge in the nanoseconds to microseconds time scale. The results discussed indicate that the mesoscale chemistry may include large polyradical molecules in dense reactive mix reaching an instability point at certain temperatures and pressures.

Fluid Mechanics in Dentinal Microtubules Provides Mechanistic Insights into the Difference between Hot and Cold Dental Pain

PubMed Central

Lin, Min; Luo, Zheng Yuan; Bai, Bo Feng; Xu, Feng; Lu, Tian Jian

2011-01-01

Dental thermal pain is a significant health problem in daily life and dentistry. There is a long-standing question regarding the phenomenon that cold stimulation evokes sharper and more shooting pain sensations than hot stimulation. This phenomenon, however, outlives the well-known hydrodynamic theory used to explain dental thermal pain mechanism. Here, we present a mathematical model based on the hypothesis that hot or cold stimulation-induced different directions of dentinal fluid flow and the corresponding odontoblast movements in dentinal microtubules contribute to different dental pain responses. We coupled a computational fluid dynamics model, describing the fluid mechanics in dentinal microtubules, with a modified Hodgkin-Huxley model, describing the discharge behavior of intradental neuron. The simulated results agreed well with existing experimental measurements. We thence demonstrated theoretically that intradental mechano-sensitive nociceptors are not “equally sensitive” to inward (into the pulp) and outward (away from the pulp) fluid flows, providing mechanistic insights into the difference between hot and cold dental pain. The model developed here could enable better diagnosis in endodontics which requires an understanding of pulpal histology, neurology and physiology, as well as their dynamic response to the thermal stimulation used in dental practices. PMID:21448459

Effects of poly (3-hydroxybutyrate-co-3-hydroxyvalerate) microparticles on morphological, mechanical, thermal, and barrier properties in thermoplastic potato starch films.

PubMed

Malmir, Sara; Montero, Belén; Rico, Maite; Barral, Luis; Bouza, Rebeca; Farrag, Yousof

2018-08-15

Biocomposites of potato starch/poly (3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) microparticles were prepared through the solvent casting method. Glycerol was used as a plasticizer. The effects of concentrations of PHBV microparticles as filler and glycerol on crystallinity behavior, surface morphology, dynamic mechanical properties, and thermal stability were studied. Humidity absorption and the water vapor transmission rate (WVTR) were investigated as well. Wide angle X-ray scattering (WAXS) patterns revealed that the plasticizing process occurred successfully. Scanning electron microscopy (SEM) micrographs exhibited good homogeneity of the surfaces for the biocomposites with a lower glycerol concentration. Dynamic mechanical analysis (DMA) results confirmed the reinforcing effect of PHBV microparticles inside the matrix. Thermogravimetric analysis (TGA) indicated that the presence of PHBV microparticles increased the thermal stability of the starch. Results of humidity absorption tests showed that the high hydrophilicity of the starch was reduced once the PHBV microparticles had been incorporated. Also, increasing PHBV microparticles reduced the water vapor transmission rate. However, samples with reduced glycerol content absorbed less humidity and showed a lower water vapor transmission rate. Copyright © 2018 Elsevier Ltd. All rights reserved.

Dynamic Characterization of an Inflatable Concentrator for Solar Thermal Propulsion

NASA Technical Reports Server (NTRS)

Leigh, Larry; Hamidzadeh, Hamid; Tinker, Michael L.; Rodriguez, Pedro I. (Technical Monitor)

2001-01-01

An inflatable structural system that is a technology demonstrator for solar thermal propulsion and other applications is characterized for structural dynamic behavior both experimentally and computationally. The inflatable structure is a pressurized assembly developed for use in orbit to support a Fresnel lens or inflatable lenticular element for focusing sunlight into a solar thermal rocket engine. When the engine temperature reaches a pre-set level, the propellant is injected into the engine, absorbs heat from an exchanger, and is expanded through the nozzle to produce thrust. The inflatable structure is a passively adaptive system in that a regulator and relief valve are utilized to maintain pressure within design limits during the full range of orbital conditions. Modeling and test activities are complicated by the fact that the polyimide film material used for construction of the inflatable is nonlinear, with modulus varying as a function of frequency, temperature, and level of excitation. Modal vibration testing and finite element modeling are described in detail in this paper. The test database is used for validation and modification of the model. This work is highly significant because of the current interest in inflatable structures for space application, and because of the difficulty in accurately modeling such systems.

Dynamical effects on the core-mantle boundary from depth-dependent thermodynamical properties of the lower mantle

NASA Technical Reports Server (NTRS)

Zhang, Shuxia; Yuen, David A.

1988-01-01

A common assumption in modeling dynamical processes in the lower mantle is that both the thermal expansivity and thermal conductivity are reasonably constant. Recent work from seismic equation of state leads to substantially higher values for the thermal conductivity and much lower thermal expansivity values in the deep mantle. The dynamical consequences of incorporating depth-dependent thermodynamic properties on the thermal-mechanical state of the lower mantle are examined with the spherical-shell mean-field equations. It is found that the thermal structure of the seismically resolved anomalous zone at the base of the mantle is strongly influenced by these variable properties and, in particular, that the convective distortion of the core-mantle boundary (CMB) is reduced with the decreasing thermal expansivity. Such a reduction of the dynamically induced topography from pure thermal convection would suggest that some other dynamical mechanism must be operating at the CMB.

Experimental Nonlinear Dynamics and Snap-Through of Post-Buckled Thin Laminated Composite Plates

NASA Astrophysics Data System (ADS)

Kim, Han-Gyu

Modern aerospace systems are increasingly being designed with composite panels and plates to achieve light weight and high specific strength and stiffness. For constrained panels, thermally-induced axial loading may cause buckling of the structure, which can lead to nonlinear and potentially chaotic behavior. When post-buckled composite plates experience snap-through, they are subjected to large-amplitude deformations and in-plane compressive loading. These phenomena pose a potential threat to the structural integrity of composite structures. In this work, the nonlinear dynamic behavior of post-buckled composite plates was investigated experimentally and computationally. For the experimental work, an electrodynamic shaker was used to apply harmonic loads and the dynamic response of plate specimens was measured using a single-point displacement-sensing laser, a double-point laser vibrometer (velocity-sensing), and a set of digital image correlation cameras. Both chaotic and periodic steady-state snap-through behaviors were investigated. The experimental data were used to characterize snap-through behaviors of the post-buckled specimens and their boundaries in the harmonic forcing parameter space. The nonlinear behavior of post-buckled plates was modeled using the classical laminated plate theory (CLPT) and the von Karman strain-displacement relations. The static equilibrium paths of the post-buckled plates were analyzed using an arc-length method with a branch-switching technique. For the dynamic analysis, the nonlinear equations of motion were derived based on CLPT and the nonlinear finite element model of the equations was constructed using the Hermite cubic interpolation functions for both conforming and nonconforming elements. The numerical analyses were conducted using the model and were compared with the experimental data.

A Reduced Model for Prediction of Thermal and Rotational Effects on Turbine Tip Clearance

NASA Technical Reports Server (NTRS)

Kypuros, Javier A.; Melcher, Kevin J.

2003-01-01

This paper describes a dynamic model that was developed to predict changes in turbine tip clearance the radial distance between the end of a turbine blade and the abradable tip seal. The clearance is estimated by using a first principles approach to model the thermal and mechanical effects of engine operating conditions on the turbine sub-components. These effects are summed to determine the resulting clearance. The model is demonstrated via a ground idle to maximum power transient and a lapse-rate takeoff transient. Results show the model demonstrates the expected pinch point behavior. The paper concludes by identifying knowledge gaps and suggesting additional research to improve the model.

Operating results of a thermocline thermal energy storage included in a parabolic trough mini power plant

NASA Astrophysics Data System (ADS)

Fasquelle, Thomas; Falcoz, Quentin; Neveu, Pierre; Lecat, Florent; Boullet, Nicolas; Flamant, Gilles

2017-06-01

A thermocline thermal energy storage tank consists in using one single tank to store sensible heat. At almost any time, three zones coexist in the tank: a hot fluid zone at the top, a cold fluid zone at the bottom, and an intermediate zone called thermocline. Filling the tank with solid materials enables to reduce cost and to maintain the thermal stratification during stand-by periods. The present paper deals with a 230 kWh experimental thermocline tank that is included into a 150 kWth parabolic trough mini power plant. The heat transfer fluid is a non-pressurized synthetic oil (dibenzyltoluene) that flows through alumina spheres in the storage tank. The solid materials are contained into baskets in order to facilitate their removing and replacement. Thermocouples measure temperature along the center of the cylinder and along its radius. It is therefore possible to study the thermocline behavior thanks to the measured temperature profiles. A typical charge, a typical discharge and a stand-by process are presented and storage performances are discussed. The behavior of the tank in a dynamic system is also considered, by analyzing a typical day of solar production and storage of the energy surplus.

Influence of nanofillers on the thermal and mechanical behavior of DGEBA-based adhesives for bonded-in timber connections

NASA Astrophysics Data System (ADS)

Ahmad, Z.; Ansell, M. P.; Smedley, D.

2006-09-01

Results of an experimental investigation into the thermal behavior and mechanical properties of a room-temperature-cured epoxy adhesive (diglycidyl ether of bisphenol A, DGEBA) cross-linked with polyetheramines and filled with different fillers, namely nanosilica, liquid rubber (CTBN), and clay, are reported. The nanosilica and liquid rubber increased the flexural strength and elastic modulus of the adhesive systems; the addition of clay particles raised the elastic modulus significantly, but embrittled the adhesive. Establishing a correct cure time is very important for bonded-in timber structures, as it will affect the bond strength. A study on the effect of cure time on the flexural strength was carried out, from which it follows that the adhesives should be cured for at least 20 days at room temperature. The damping characteristics and the glass-transition temperature of the adhesives were determined by using a dynamic mechanical thermal analysis. The results showed that the filled adhesives had a higher storage modulus, which was in agreement with the elastic moduli determined from static bending tests. The introduction of the fillers increased its glass-transition temperature considerably.

Protein dynamics and motions in relation to their functions: several case studies and the underlying mechanisms

PubMed Central

Yang, Li-Quan; Sang, Peng; Tao, Yan; Fu, Yun-Xin; Zhang, Ke-Qin; Xie, Yue-Hui; Liu, Shu-Qun

2013-01-01

Proteins are dynamic entities in cellular solution with functions governed essentially by their dynamic personalities. We review several dynamics studies on serine protease proteinase K and HIV-1 gp120 envelope glycoprotein to demonstrate the importance of investigating the dynamic behaviors and molecular motions for a complete understanding of their structure–function relationships. Using computer simulations and essential dynamic (ED) analysis approaches, the dynamics data obtained revealed that: (i) proteinase K has highly flexible substrate-binding site, thus supporting the induced-fit or conformational selection mechanism of substrate binding; (ii) Ca2+ removal from proteinase K increases the global conformational flexibility, decreases the local flexibility of substrate-binding region, and does not influence the thermal motion of catalytic triad, thus explaining the experimentally determined decreased thermal stability, reduced substrate affinity, and almost unchanged catalytic activity upon Ca2+ removal; (iii) substrate binding affects the large concerted motions of proteinase K, and the resulting dynamic pocket can be connected to substrate binding, orientation, and product release; (iv) amino acid mutations 375 S/W and 423 I/P of HIV-1 gp120 have distinct effects on molecular motions of gp120, facilitating 375 S/W mutant to assume the CD4-bound conformation, while 423 I/P mutant to prefer for CD4-unliganded state. The mechanisms underlying protein dynamics and protein–ligand binding, including the concept of the free energy landscape (FEL) of the protein–solvent system, how the ruggedness and variability of FEL determine protein's dynamics, and how the three ligand-binding models, the lock-and-key, induced-fit, and conformational selection are rationalized based on the FEL theory are discussed in depth. PMID:23527883

Protein dynamics and motions in relation to their functions: several case studies and the underlying mechanisms.

PubMed

Yang, Li-Quan; Sang, Peng; Tao, Yan; Fu, Yun-Xin; Zhang, Ke-Qin; Xie, Yue-Hui; Liu, Shu-Qun

2014-01-01

Proteins are dynamic entities in cellular solution with functions governed essentially by their dynamic personalities. We review several dynamics studies on serine protease proteinase K and HIV-1 gp120 envelope glycoprotein to demonstrate the importance of investigating the dynamic behaviors and molecular motions for a complete understanding of their structure-function relationships. Using computer simulations and essential dynamic (ED) analysis approaches, the dynamics data obtained revealed that: (i) proteinase K has highly flexible substrate-binding site, thus supporting the induced-fit or conformational selection mechanism of substrate binding; (ii) Ca(2+) removal from proteinase K increases the global conformational flexibility, decreases the local flexibility of substrate-binding region, and does not influence the thermal motion of catalytic triad, thus explaining the experimentally determined decreased thermal stability, reduced substrate affinity, and almost unchanged catalytic activity upon Ca(2+) removal; (iii) substrate binding affects the large concerted motions of proteinase K, and the resulting dynamic pocket can be connected to substrate binding, orientation, and product release; (iv) amino acid mutations 375 S/W and 423 I/P of HIV-1 gp120 have distinct effects on molecular motions of gp120, facilitating 375 S/W mutant to assume the CD4-bound conformation, while 423 I/P mutant to prefer for CD4-unliganded state. The mechanisms underlying protein dynamics and protein-ligand binding, including the concept of the free energy landscape (FEL) of the protein-solvent system, how the ruggedness and variability of FEL determine protein's dynamics, and how the three ligand-binding models, the lock-and-key, induced-fit, and conformational selection are rationalized based on the FEL theory are discussed in depth.

Structural and dynamic characteristics in monolayer square ice.

PubMed

Zhu, YinBo; Wang, FengChao; Wu, HengAn

2017-07-28

When water is constrained between two sheets of graphene, it becomes an intriguing monolayer solid with a square pattern due to the ultrahigh van der Waals pressure. However, the square ice phase has become a matter of debate due to the insufficient experimental interpretation and the slightly rhomboidal feature in simulated monolayer square-like structures. Here, we performed classical molecular dynamics simulations to reveal monolayer square ice in graphene nanocapillaries from the perspective of structure and dynamic characteristics. Monolayer square-like ice (instantaneous snapshot), assembled square-rhombic units with stacking faults, is a long-range ordered structure, in which the square and rhombic units are assembled in an order of alternative distribution, and the other rhombic unit forms stacking faults (polarized water chains). Spontaneous flipping of water molecules in monolayer square-like ice is intrinsic and induces transformations among different elementary units, resulting in the structural evolution of monolayer square ice in dynamics. The existence of stacking faults should be attributed to the spontaneous flipping behavior of water molecules under ambient temperature. Statistical averaging results (thermal average positions) demonstrate the inherent square characteristic of monolayer square ice. The simulated data and insight obtained here might be significant for understanding the topological structure and dynamic behavior of monolayer square ice.

Review of LOX Bearing and Seal Materials Tester (BSMT) radial load system

NASA Technical Reports Server (NTRS)

Dufrane, K. F.; Kannel, J. W.

1984-01-01

Problems concerning the bearings in the high pressure oxygen turbopumps (HPOTP) were investigated. The tasks involved: failure analyses, bearing dynamics calculations, lubrication studies, wear studies, and analyses of thermal transients. The radial load system on MSFC's bearing and seal tester used to study components for the HPOTP in liquid oxygen (LOX) is analyzed and the wear behavior of AISI 440C steel with polytetrafluoroethylene (PTFE) lubrication is studied.

Targeting circuits

PubMed Central

Rajasethupathy, Priyamvada; Ferenczi, Emily; Deisseroth, Karl

2017-01-01

Current optogenetic methodology enables precise inhibition or excitation of neural circuits, spanning timescales as needed from the acute (milliseconds) to the chronic (many days or more), for experimental modulation of network activity and animal behavior. Such broad temporal versatility, unique to optogenetic control, is particularly powerful when combined with brain activity measurements that span both acute and chronic timescales as well. This enables, for instance, the study of adaptive circuit dynamics across the intact brain, and tuning interventions to match activity patterns naturally observed during behavior in the same individual. Although the impact of this approach has been greater on basic research than on clinical translation, it is natural to ask if specific neural circuit activity patterns discovered to be involved in controlling adaptive or maladaptive behaviors could become targets for treatment of neuropsychiatric diseases. Here we consider the landscape of such ideas related to therapeutic targeting of circuit dynamics, taking note of developments not only in optical but also in ultrasonic, magnetic, and thermal methods. We note the recent emergence of first-in-kind optogenetically-guided clinical outcomes, as well as opportunities related to the integration of interventions and readouts spanning diverse circuit-physiology, molecular, and behavioral modalities. PMID:27104976

Dielectric, piezoelectric, and ferroelectric properties of grain-orientated Bi3.25La0.75Ti3O12 ceramics

NASA Astrophysics Data System (ADS)

Liu, Jing; Shen, Zhijian; Yan, Haixue; Reece, Michael J.; Kan, Yanmei; Wang, Peiling

2007-11-01

By dynamic forging during Spark Plasma Sintering (SPS), grain-orientated ferroelectric Bi3.25La0.75Ti3O12 (BLT) ceramics were prepared. Their ferroelectric, piezoelectric, and dielectric properties are anisotropic. The textured ceramics parallel and perpendicular to the shear flow directions have similar thermal depoling behaviors. The d33 piezoelectric coefficient of BLT ceramics gradually reduces up to 350 °C; it then drops rapidly. The broadness of the dielectric constant and loss peaks and the existence of d33 above the permittivity peak, Tm, show that the BLT ceramic has relaxor-like behavior.

Analysis of Meteorological Satellite location and data collection system concepts

NASA Technical Reports Server (NTRS)

Wallace, R. G.; Reed, D. L.

1981-01-01

A satellite system that employs a spaceborne RF interferometer to determine the location and velocity of data collection platforms attached to meteorological balloons is proposed. This meteorological advanced location and data collection system (MALDCS) is intended to fly aboard a low polar orbiting satellite. The flight instrument configuration includes antennas supported on long deployable booms. The platform location and velocity estimation errors introduced by the dynamic and thermal behavior of the antenna booms and the effects of the presence of the booms on the performance of the spacecraft's attitude control system, and the control system design considerations critical to stable operations are examined. The physical parameters of the Astromast type of deployable boom were used in the dynamic and thermal boom analysis, and the TIROS N system was assumed for the attitude control analysis. Velocity estimation error versus boom length was determined. There was an optimum, minimum error, antenna separation distance. A description of the proposed MALDCS system and a discussion of ambiguity resolution are included.

Thermally-Driven Mantle Plumes Reconcile Hot-spot Observations

NASA Astrophysics Data System (ADS)

Davies, D.; Davies, J.

2008-12-01

Hot-spots are anomalous regions of magmatism that cannot be directly associated with plate tectonic processes (e.g. Morgan, 1972). They are widely regarded as the surface expression of upwelling mantle plumes. Hot-spots exhibit variable life-spans, magmatic productivity and fixity (e.g. Ito and van Keken, 2007). This suggests that a wide-range of upwelling structures coexist within Earth's mantle, a view supported by geochemical and seismic evidence, but, thus far, not reproduced by numerical models. Here, results from a new, global, 3-D spherical, mantle convection model are presented, which better reconcile hot-spot observations, the key modification from previous models being increased convective vigor. Model upwellings show broad-ranging dynamics; some drift slowly, while others are more mobile, displaying variable life-spans, intensities and migration velocities. Such behavior is consistent with hot-spot observations, indicating that the mantle must be simulated at the correct vigor and in the appropriate geometry to reproduce Earth-like dynamics. Thermally-driven mantle plumes can explain the principal features of hot-spot volcanism on Earth.

An Indentation Technique for Nanoscale Dynamic Viscoelastic Measurements at Elevated Temperature

NASA Astrophysics Data System (ADS)

Ye, Jiping

2012-08-01

Determination of nano/micro-scale viscoelasticity is very important to understand the local rheological behavior and degradation phenomena of multifunctional polymer blend materials. This article reviews research results concerning the development of indentation techniques for making nanoscale dynamic viscoelastic measurements at elevated temperature. In the last decade, we have achieved breakthroughs in noise floor reduction in air and thermal load drift/noise reduction at high temperature before taking on the challenge of nanoscale viscoelastic measurements. A high-temperature indentation technique has been developed that facilitates viscoelastic measurements up to 200 °C in air and 500 °C in a vacuum. During the last year, two viscoelastic measurement methods have been developed by making a breakthrough in suppressing the contact area change at high temperature. One is a sharp-pointed time-dependent nanoindentation technique for microscale application and the other is a spherical time-dependent nanoindentation technique for nanoscale application. In the near future, we expect to lower the thermal load drift and load noise floor even more substantially.

The influence of Unruh effect on quantum steering for accelerated two-level detectors with different measurements

NASA Astrophysics Data System (ADS)

Liu, Tonghua; Wang, Jieci; Jing, Jiliang; Fan, Heng

2018-03-01

We propose a tight measure of quantum steering and study the dynamics of steering in a relativistic setting via different quantifiers. We present the dynamics of steering between two correlated Unruh-Dewitt detectors when one of them locally interacts with external scalar field. We find that the quantum steering, either measured by the entropic steering inequality or the Cavalcanti-Jones-Wiseman-Reid inequality, is fragile under the influence of Unruh thermal noise. The quantum steering is found always asymmetric and the asymmetry is extremely sensitive to the initial state parameter. In addition, the steering-type quantum correlations experience "sudden death" for some accelerations, which are quite different from the behaviors of other quantum correlations in the same system. It is worth noting that the domination value of the tight quantum steering exists a transformation point with increasing acceleration. We also find that the robustness of quantum steerability under the Unruh thermal noise can be realized by choosing the smallest energy gap in the detectors.

Transport Properties of the Nuclear Pasta Phase with Quantum Molecular Dynamics

NASA Astrophysics Data System (ADS)

Nandi, Rana; Schramm, Stefan

2018-01-01

We study the transport properties of nuclear pasta for a wide range of density, temperature, and proton fractions, relevant for different astrophysical scenarios adopting a quantum molecular dynamics model. In particular, we estimate the values of shear viscosity as well as electrical and thermal conductivities by calculating the static structure factor S(q) using simulation data. In the density and temperature range where the pasta phase appears, the static structure factor shows irregular behavior. The presence of a slab phase greatly enhances the peak in S(q). However, the effect of irregularities in S(q) on the transport coefficients is not very dramatic. The values of all three transport coefficients are found to have the same orders of magnitude as found in theoretical calculations for the inner crust matter of neutron stars without the pasta phase; therefore, the values are in contrast to earlier speculations that a pasta layer might be highly resistive, both thermally and electrically.

High-temperature thermocline TES combining sensible and latent heat - CFD modeling and experimental validation

NASA Astrophysics Data System (ADS)

Zavattoni, Simone A.; Geissbühler, Lukas; Barbato, Maurizio C.; Zanganeh, Giw; Haselbacher, Andreas; Steinfeld, Aldo

2017-06-01

The concept of combined sensible/latent heat thermal energy storage (TES) has been exploited to mitigate an intrinsic thermocline TES systems drawback of heat transfer fluid outflow temperature reduction during discharging. In this study, the combined sensible/latent TES prototype under investigation is constituted by a packed bed of rocks and a small amount of encapsulated phase change material (AlSi12) as sensible heat and latent heat sections respectively. The thermo-fluid dynamics behavior of the combined TES prototype was analyzed by means of a computational fluid dynamics approach. Due to the small value of the characteristic vessel-to-particles diameter ratio, the effect of radial void-fraction variation, also known as channeling, was accounted for. Both the sensible and the latent heat sections of the storage were modeled as porous media under the assumption of local thermal non-equilibrium (LTNE). The commercial code ANSYS Fluent 15.0 was used to solve the model's constitutive conservation and transport equations obtaining a fairly good agreement with reference experimental measurements.

Design and Characterization of a High Resolution Microfluidic Heat Flux Sensor with Thermal Modulation

PubMed Central

Nam, Sung-Ki; Kim, Jung-Kyun; Cho, Sung-Cheon; Lee, Sun-Kyu

2010-01-01

A complementary metal-oxide semiconductor-compatible process was used in the design and fabrication of a suspended membrane microfluidic heat flux sensor with a thermopile for the purpose of measuring the heat flow rate. The combination of a thirty-junction gold and nickel thermoelectric sensor with an ultralow noise preamplifier, a low pass filter, and a lock-in amplifier can yield a resolution 20 nW with a sensitivity of 461 V/W. The thermal modulation method is used to eliminate low-frequency noise from the sensor output, and various amounts of fluidic heat were applied to the sensor to investigate its suitability for microfluidic applications. For sensor design and analysis of signal output, a method of modeling and simulating electro-thermal behavior in a microfluidic heat flux sensor with an integrated electronic circuit is presented and validated. The electro-thermal domain model was constructed by using system dynamics, particularly the bond graph. The electro-thermal domain system model in which the thermal and the electrical domains are coupled expresses the heat generation of samples and converts thermal input to electrical output. The proposed electro-thermal domain system model is in good agreement with the measured output voltage response in both the transient and the steady state. PMID:22163568

Quantum Quench Dynamics in the Transverse Field Ising Model at Non-zero Temperatures

NASA Astrophysics Data System (ADS)

Abeling, Nils; Kehrein, Stefan

The recently discovered Dynamical Phase Transition denotes non-analytic behavior in the real time evolution of quantum systems in the thermodynamic limit and has been shown to occur in different systems at zero temperature [Heyl et al., Phys. Rev. Lett. 110, 135704 (2013)]. In this talk we present the extension of the analysis to non-zero temperature by studying a generalized form of the Loschmidt echo, the work distribution function, of a quantum quench in the transverse field Ising model. Although the quantitative behavior at non-zero temperatures still displays features derived from the zero temperature non-analyticities, it is shown that in this model dynamical phase transitions do not exist if T > 0 . This is a consequence of the system being initialized in a thermal state. Moreover, we elucidate how the Tasaki-Crooks-Jarzynski relation can be exploited as a symmetry relation for a global quench or to obtain the change of the equilibrium free energy density. This work was supported through CRC SFB 1073 (Project B03) of the Deutsche Forschungsgemeinschaft (DFG).

Tidal influences on vertical diffusion and diurnal variability of ozone in the mesosphere

NASA Technical Reports Server (NTRS)

Bjarnason, Gudmundur G.; Solomon, Susan; Garcia, Rolando R.

1987-01-01

Possible dynamical influences on the diurnal behavior of ozone are investigated. A time dependent one-dimensional photochemical model is developed for this purpose; all model calculations are made at 70 deg N during summer. It is shown that the vertical diffusion can vary as much as 1 order of magnitude within a day as a result of large changes in the zonal wind induced by atmospheric thermal tides. It is found that by introducing a dissipation time scale for turbulence produced by breaking gravity waves, the agreement with Poker Flat echo data is improved. Comparisons of results from photochemical model calculations, where the vertical diffusion is a function of height only, with those in which the vertical diffusion coefficient is changing in time show large differences in the diurnal behavior of ozone between 70 and 90 km. By including the dynamical effect, much better agreement with the Solar Mesosphere Explorers data is obtained. The results are, however, sensitive to the background zonally averaged wind. The influence of including time-varying vertical diffusion coefficient on the OH densities is also large, especially between 80 and 90 km. This suggests that dynamical effects are important in determining the diurnal behavior of the airglow emission from the Meinel bands.

Local Order-Disorder Transition Driving by Structural Heterogeneity in a Benzyl Functionalized Ionic Liquid.

PubMed

Faria, Luiz F O; Paschoal, Vitor H; Lima, Thamires A; Ferreira, Fabio F; Freitas, Rafael S; Ribeiro, Mauro C C

2017-10-26

A local order-disorder transition has been disclosed in the thermophysical behavior of the ionic liquid 1-benzyl-3-methylimidazolium dicyanamide, [Bzmim][N(CN) 2 ], and its microscopic nature revealed by spectroscopic techniques. Differential scanning calorimetry and specific heat measurements show a thermal event of small enthalpy variation taking place in the range 250-260 K, which is not due to crystallization or melting. Molecular dynamic simulations and X-ray diffraction measurements have been used to discuss the segregation of domains in the liquid structure of [Bzmim][N(CN) 2 ]. Raman and NMR spectroscopy measurements as a function of temperature indicate that the microscopic origin of the event observed in the calorimetric measurements comes from structural rearrangement involving the benzyl group. The results indicate that the characteristic structural heterogeneity allow for rearrangements within local domains implying the good glass-forming ability for the low viscosity ionic liquid [Bzmim][N(CN) 2 ]. This work sheds light on our understanding of the microscopic origin behind complex thermal behavior of ionic liquids.

Thermal and athermal three-dimensional swarms of self-propelled particles

NASA Astrophysics Data System (ADS)

Nguyen, Nguyen H. P.; Jankowski, Eric; Glotzer, Sharon C.

2012-07-01

Swarms of self-propelled particles exhibit complex behavior that can arise from simple models, with large changes in swarm behavior resulting from small changes in model parameters. We investigate the steady-state swarms formed by self-propelled Morse particles in three dimensions using molecular dynamics simulations optimized for graphics processing units. We find a variety of swarms of different overall shape assemble spontaneously and that for certain Morse potential parameters at most two competing structures are observed. We report a rich “phase diagram” of athermal swarm structures observed across a broad range of interaction parameters. Unlike the structures formed in equilibrium self-assembly, we find that the probability of forming a self-propelled swarm can be biased by the choice of initial conditions. We investigate how thermal noise influences swarm formation and demonstrate ways it can be exploited to reconfigure one swarm into another. Our findings validate and extend previous observations of self-propelled Morse swarms and highlight open questions for predictive theories of nonequilibrium self-assembly.

Inevitable power-law behavior of isolated many-body quantum systems and how it anticipates thermalization

NASA Astrophysics Data System (ADS)

Távora, Marco; Torres-Herrera, E. J.; Santos, Lea F.

2016-10-01

Despite being ubiquitous, out-of-equilibrium quantum systems are much less understood than systems at equilibrium. Progress in the field has benefited from a symbiotic relationship between theoretical studies and new experiments on coherent dynamics. The present work strengthens this connection by providing a general picture of the relaxation process of isolated lattice many-body quantum systems that are routinely studied in experiments with cold atoms, ions traps, and nuclear magnetic resonance. We show numerically and analytically that the long-time decay of the probability for finding the system in its initial state necessarily shows a power-law behavior ∝t-γ . This happens independently of the details of the system, such as integrability, level repulsion, and the presence or absence of disorder. Information about the spectrum, the structure of the initial state, and the number of particles that interact simultaneously is contained in the value of γ . From it, we can anticipate whether the initial state will or will not thermalize.

Thermal inertia effect in an axisymmetric thermoelastic problem based on generalized thermoelasticity

NASA Astrophysics Data System (ADS)

Xie, Yushu; Li, Fatao

2010-06-01

The objective of this paper is to study thermal inertia effect due to the fact of the properties of the hyperbolic equations based on LS theory in generalized thermoelasticity. Simulations in a 2D hollow cylinder for uncoupled dynamic thermal stresses and thermal displacements were predicted by use of finite element method with Newmark algorithm. The thermal inertia effect on LS theory in rapid transient heat transfer process is also investigated in comparison with in steady heat transfer process. When different specific heat capacity is chosen, dynamic thermal stresses appear different types of vibration, in which less heat capacity causes more violent dynamic thermal stresses because of the thermal inertia effect. Both dynamic thermal stresses and thermal displacements in rapid transient heat transfer process have the larger amplitude and higher frequency than in steady heat transfer process due to thermal inertia from the results of simulation, which is consistent with the nature of the generalized thermoelasticity.

Thermal-hydraulic behavior of Sc-C02 in a horizontal circular straight tube

NASA Astrophysics Data System (ADS)

Tanimizu, Katsuyoshi; Sadr, Reza; Ranjan, Davesh

2011-11-01

Fluids above critical pressure have been practically utilized for 60 years in many applications and their use and interest is still increasing in many areas, especially power generation industries and chemical industries. Above critical pressure, very rapid changes in thermophysical properties take place near the pseudocritical temperature. In this region, the fluid transforms from liquid-like to gas-like behavior when the fluid temperature rises up and passes through the pseudocritical temperature. This allows enormous potential for energy transfer, but also alters the turbulent flow due to changes in the turbulent shear stress brought about by acceleration and buoyancy effects. However, we have not fully understood their dynamic behaviors such as turbulence yet. A supercritical CO2 testing loop has been built at Texas A&M University at Qatar to perform heat transfer and pressure drop measurements and investigate the thermo-physical and dynamic characteristics of supercritical carbon dioxide flow. The results of heat transfer measurements in a super critical fluid conducted in a horizontal pipe are reported and discussed here. Supported by QNRF.

Quantum critical scaling near the antiferromagnetic quantum critical point in CeCu6-xPdx

NASA Astrophysics Data System (ADS)

Wu, Liusuo; Poudel, L.; May, A. F.; Nelson, W. L.; Gallagher, A.; Lai, Y.; Graf, D. E.; Besara, T.; Siegrist, T. M.; Baumbach, R.; Ehlers, G.; Podlesnyak, A. A.; Lumsden, M. D.; Mandrus, D.; Christianson, A. D.

A remarkable behavior of many quantum critical systems is the scaling of physical properties such as the dynamic susceptibility near a quantum critical point (QCP), where Fermi liquid physics usually break down. The quantum critical behavior in the vicinity of a QCP in metallic systems remains an important open question. In particular, a self-consistent universal scaling of both magnetic susceptibility and the specific heat remains missing for most cases. Recently, we have studied CeCu6-xTx (T =Au, Ag, Pd), which is a prototypical heavy fermion material that hosts an antiferromagnetic (AF) QCP. We have investigated the low temperature thermal properties including the specific heat and magnetic susceptibility. We also investigated the spin fluctuation spectrum at both critical doping and within the magnetically ordered phase. A key finding is the spin excitations exhibit a strong Ising character, resulting in the strong suppression of transverse fluctuations. A detailed scaling analysis of the quantum critical behaviors relating the thermodynamic properties to the dynamic susceptibility will be presented. DOE, ORNL LDRD.

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics

PubMed Central

Ramana, CV; Becker, U; Shutthanandan, V; Julien, CM

2008-01-01

Molybdenum disulfide (MoS2), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia. The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Rutherford backscattering spectrometry (RBS), and nuclear reaction analysis (NRA). Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400°C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and significant increase in size associated with a decrease in density with further annealing. PMID:18534025

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics.

PubMed

Ramana, C V; Becker, U; Shutthanandan, V; Julien, C M

2008-06-05

Molybdenum disulfide (MoS2), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia.The present work was performed to understand thermal oxidation and metal-insertion processes of molybdenite surfaces. The analysis was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Rutherford backscattering spectrometry (RBS), and nuclear reaction analysis (NRA).Structural studies using SEM and TEM indicate the local-disordering of the structure as a result of charge-transfer process between the inserted lithium and the molybdenite layer. Selected area electron diffraction measurements indicate the large variations in the diffusivity of lithium confirming that the charge-transfer is different along and perpendicular to the layers in molybdenite. Thermal heating of molybenite surface in air at 400 degrees C induces surface oxidation, which is slow during the first hour of heating and then increases significantly. The SEM results indicate that the crystals formed on the molybdenite surface as a result of thermal oxidation exhibit regular thin-elongated shape. The average size and density of the crystals on the surface is dependent on the time of annealing; smaller size and high density during the first one-hour and significant increase in size associated with a decrease in density with further annealing.

Rotational Dynamics of Inactive Satellites as a Result of the YORP Effect

NASA Astrophysics Data System (ADS)

Albuja, Antonella A.

Observations of inactive satellites in Earth orbit show that these objects are generally rotating, some with very fast rotation rates. In addition, observations indicate that the rotation rate at which defunct satellites spin tends to evolve over time. However, the cause for this behavior is unknown. The observed secular change in the spin rate and spin axis orientation of asteroids is known to be caused by the Yarkovsky-O'Keefe-Radzievskii-Paddack (YORP) effect, which results in a torque that is created from reflected thermal energy and sunlight from the surface of an asteroid. This thesis explores the effect of YORP on defunct satellites in Earth orbit and offers this as a potential cause for the observed rotation states of inactive satellites. In this work, several different satellite models are developed to represent inactive satellites in Geostationary Earth Orbit (GEO). The evolution of the spin rate and obliquity for each satellite is then explored using Euler's equations of motion as well as spin and year averaged dynamics. This results in the dynamics being analyzed to understand the secular changes that occur, as well as the variations that result from short period terms over the course of a year. Some of the model satellites have asymmetric geometries, leading to the classical YORP effect as originally formulated for asteroids. One model satellite is geometrically symmetric, but relies on mass distribution asymmetry to generate the YORP effect. Because the YORP effect is directly dependent on geometric, optical and thermal properties of the satellite, varying these parameters can lead to different long-term rotational behavior. A sensitivity study is done by varying these parameters and analyzing its effect on the long-term dynamics of a satellite. Additionally, available observation data of inactive GEO satellites are used to estimate the YORP torque acting on those bodies. A comparison between this torque and the expected torque on a defunct satellite shows that the two are of the same order of magnitude, demonstrating that YORP could be a cause for the observed behavior.

Dynamic Modulus and Damping of Boron, Silicon Carbide, and Alumina Fibers

NASA Technical Reports Server (NTRS)

Dicarlo, J. A.; Williams, W.

1980-01-01

The dynamic modulus and damping capacity for boron, silicon carbide, and silicon carbide coated boron fibers were measured from-190 to 800 C. The single fiber vibration test also allowed measurement of transverse thermal conductivity for the silicon carbide fibers. Temperature dependent damping capacity data for alumina fibers were calculated from axial damping results for alumina-aluminum composites. The dynamics fiber data indicate essentially elastic behavior for both the silicon carbide and alumina fibers. In contrast, the boron based fibers are strongly anelastic, displaying frequency dependent moduli and very high microstructural damping. Ths single fiber damping results were compared with composite damping data in order to investigate the practical and basic effects of employing the four fiber types as reinforcement for aluminum and titanium matrices.

Thermal conductivity of graphene with defects induced by electron beam irradiation.

PubMed

Malekpour, Hoda; Ramnani, Pankaj; Srinivasan, Srilok; Balasubramanian, Ganesh; Nika, Denis L; Mulchandani, Ashok; Lake, Roger K; Balandin, Alexander A

2016-08-14

We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. High-quality graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission electron microscopy grid, and suspended over ∼7.5 μm size square holes. Defects are induced by irradiation of graphene with the low-energy electron beam (20 keV) and quantified by the Raman D-to-G peak intensity ratio. As the defect density changes from 2.0 × 10(10) cm(-2) to 1.8 × 10(11) cm(-2) the thermal conductivity decreases from ∼(1.8 ± 0.2) × 10(3) W mK(-1) to ∼(4.0 ± 0.2) × 10(2) W mK(-1) near room temperature. At higher defect densities, the thermal conductivity reveals an intriguing saturation-type behavior at a relatively high value of ∼400 W mK(-1). The thermal conductivity dependence on the defect density is analyzed using the Boltzmann transport equation and molecular dynamics simulations. The results are important for understanding phonon - point defect scattering in two-dimensional systems and for practical applications of graphene in thermal management.

Thermal characterization of QSH crashes in RFX-mod

NASA Astrophysics Data System (ADS)

Fassina, Alessandro; Gobbin, Marco; Franz, Paolo; Marrelli, Lionello; Ruzzon, Alberto

2012-10-01

QSH (Quasi Single Helicity) states have gained a growing interest in RFP research since they show improved confinement and transport features with respect to standard discharges. However, ITBs associated with QSH states can be obtained only in a transient way, and in general with a shorter lifetime with respect to that of the QSH phase [1]. In this work the analysis has essentially the purpose of confirming, with TS data, the Te dynamics seen with the double filter, multichord SXR spectrometer in [1]: TS data allow a better spatial definition of temperature profile and a more reliable description of plasma edge. Te profile features in rising and crashing phases are determined via ensemble averaging, possible precursors of thermal crashes are identified, while q(r) behavior is studied identifying the thermal structures associated with rational surfaces. [4pt] [1] Ruzzon et al, 39th EPS Conference, P2.023

Advanced Nanoindentation Testing for Studying Strain-Rate Sensitivity and Activation Volume

NASA Astrophysics Data System (ADS)

Maier-Kiener, Verena; Durst, Karsten

2017-11-01

Nanoindentation became a versatile tool for testing local mechanical properties beyond hardness and modulus. By adapting standard nanoindentation test methods, simple protocols capable of probing thermally activated deformation processes can be accomplished. Abrupt strain-rate changes within one indentation allow determining the strain-rate dependency of hardness at various indentation depths. For probing lower strain-rates and excluding thermal drift influences, long-term creep experiments can be performed by using the dynamic contact stiffness for determining the true contact area. From both procedures hardness and strain-rate, and consequently strain-rate sensitivity and activation volume can be reliably deducted within one indentation, permitting information on the locally acting thermally activated deformation mechanism. This review will first discuss various testing protocols including possible challenges and improvements. Second, it will focus on different examples showing the direct influence of crystal structure and/or microstructure on the underlying deformation behavior in pure and highly alloyed material systems.

Effect of Graphene Addition on Shape Memory Behavior of Epoxy Resins

NASA Technical Reports Server (NTRS)

Williams, Tiffany; Meador, Michael; Miller, Sandi; Scheiman, Daniel

2011-01-01

Shape memory polymers (SMPs) and composites are a special class of smart materials known for their ability to change size and shape upon exposure to an external stimulus (e.g. light, heat, pH, or magnetic field). These materials are commonly used for biomedical applications; however, recent attempts have been made towards developing SMPs and composites for use in aircraft and space applications. Implementing SMPs and composites to create a shape change effect in some aircraft structures could potentially reduce drag, decrease fuel consumption, and improve engine performance. This paper discusses the development of suitable materials to use in morphing aircraft structures. Thermally responsive epoxy SMPs and nanocomposites were developed and the shape memory behavior and thermo-mechanical properties were studied. Overall, preliminary results from dynamic mechanical analysis (DMA) showed that thermally actuated shape memory epoxies and nanocomposites possessed Tgs near approximately 168 C. When graphene nanofiller was added, the storage modulus and crosslinking density decreased. On the other hand, the addition of graphene enhanced the recovery behavior of the shape memory nanocomposites. It was assumed that the addition of graphene improved shape memory recovery by reducing the crosslinking density and increasing the elasticity of the nanocomposites.

Tunable Interfacial Thermal Conductance by Molecular Dynamics

NASA Astrophysics Data System (ADS)

Shen, Meng

We study the mechanism of tunable heat transfer through interfaces between solids using a combination of non-equilibrium molecular dynamics simulation (NEMD), vibrational mode analysis and wave packet simulation. We investigate how heat transfer through interfaces is affected by factors including pressure, interfacial modulus, contact area and interfacial layer thickness, with an overreaching goal of developing fundamental knowledge that will allow one to tailor thermal properties of interfacial materials. The role of pressure and interfacial stiffness is unraveled by our studies on an epitaxial interface between two Lennard-Jones (LJ) crystals. The interfacial stiffness is varied by two different methods: (i) indirectly by applying pressure which due to anharmonic nature of bonding, increases interfacial stiffness, and (ii) directly by changing the interfacial bonding strength by varying the depth of the potential well of the LJ potential. When the interfacial bonding strength is low, quantitatively similar behavior to pressure tuning is observed when the interfacial thermal conductance is increased by directly varying the potential-well depth parameter of the LJ potential. By contrast, when the interfacial bonding strength is high, thermal conductance is almost pressure independent, and even slightly decreases with increasing pressure. This decrease can be explained by the change in overlap between the vibrational densities of states of the two crystalline materials. The role of contact area is studied by modeling structures comprised of Van der Waals junctions between single-walled nanotubes (SWCNT). Interfacial thermal conductance between SWCNTs is obtained from NEMD simulation as a function of crossing angle. In this case the junction conductance per unit area is essentially a constant. By contrast, interfacial thermal conductance between multiwalled carbon nanotubes (MWCNTs) is shown to increase with diameter of the nanotubes by recent experimental studies [1]. To elucidate this behavior we studied a simplified model comprised of an interface between two stacks of graphene ribbons to mimic the contact between multiwalled nanotubes. Our results, in agreement with experiment, show that the interfacial thermal conductance indeed increases with the number of graphene layers, corresponding to larger diameter and larger number of walls in MWCNT. The role of interfacial layer thickness is investigated by modeling a system of a few layers of graphene sandwiched between two silicon slabs. We show, by wave packet simulation and by theoretical calculation of a spring-mass model, that the transmission coefficient of individual vibrational modes is strongly dependent on the frequency and the number of graphene layers due to coherent interference effects; by contrast, the interfacial thermal conductance obtained in NEMD simulation, which represents an integral over all phonons, is essentially independent of the number of graphene layers, in agreement with recent experiments. Furthermore, when we heat one atomic layer of graphene directly, the effective interfacial conductance associated with heat dissipation to the silicon substrate is very small. We attribute this to the resistance associated with heat transfer between high and low frequency phonon modes within graphene. Finally, we also replaced graphene layers by a few WSe2 sheets and observed that interfacial thermal resistance of a Si/n-WSe2/Si structure increases linearly with interface thickness at least for 1 < n <= 20, indicating diffusive heat transfer mechanism, in contrast to ballistic behavior of a few graphene layers. The corresponding thermal conductivity (0.048 W m-1 K-1) of a few WSe2 layers is rather small. By comparing phonon dispersion of graphene layers and WSe2 sheets, we attribute the diffusive behavior of a few WSe2 sheets to abundant optical phonons at low and medium frequencies leading to very short mean free path. Our computational studies of effects of pressure and structural properties on interfacial thermal conductance provide fundamental insights for tunable heat transfer in nanostructures. [1] Professor D. Y. Li from University of Vanderbilt, private communication (Nov. 14, 2011).

Switching moving boundary models for two-phase flow evaporators and condensers

NASA Astrophysics Data System (ADS)

Bonilla, Javier; Dormido, Sebastián; Cellier, François E.

2015-03-01

The moving boundary method is an appealing approach for the design, testing and validation of advanced control schemes for evaporators and condensers. When it comes to advanced control strategies, not only accurate but fast dynamic models are required. Moving boundary models are fast low-order dynamic models, and they can describe the dynamic behavior with high accuracy. This paper presents a mathematical formulation based on physical principles for two-phase flow moving boundary evaporator and condenser models which support dynamic switching between all possible flow configurations. The models were implemented in a library using the equation-based object-oriented Modelica language. Several integrity tests in steady-state and transient predictions together with stability tests verified the models. Experimental data from a direct steam generation parabolic-trough solar thermal power plant is used to validate and compare the developed moving boundary models against finite volume models.

Brownian dynamics of sterically-stabilized colloidal suspensions

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

TeGrotenhuis, W.E.; Radke, C.J.; Denn, M.M.

1994-02-01

One application where microstructure plays a critical role is in the production of specialty ceramics, where colloidal suspensions act as precursors; here the microstructure influences the structural, thermal, optical and electrical properties of the ceramic products. Using Brownian dynamics, equilibrium and dynamic properties are calculated for colloidal suspensions that are stabilized through the Milner, Witten and Cates (1988) steric potential. Results are reported for osmotic pressures, radial distributions functions, static structure factors, and self-diffusion coefficients. The sterically-stabilized systems are also approximated by equivalent hard spheres, with good agreement for osmotic pressure and long-range structure. The suitability of the potential tomore » model the behavior of a real system is explored by comparing static structure factors calculated from Brownian dynamics simulations to those measured using SANS. Finally, the effects of Hamaker and hydrodynamic forces on calculated properties are investigated.« less

The modern temperature-accelerated dynamics approach

DOE PAGES

Zamora, Richard J.; Uberuaga, Blas P.; Perez, Danny; ...

2016-06-01

Accelerated molecular dynamics (AMD) is a class of MD-based methods used to simulate atomistic systems in which the metastable state-to-state evolution is slow compared with thermal vibrations. Temperature-accelerated dynamics (TAD) is a particularly efficient AMD procedure in which the predicted evolution is hastened by elevating the temperature of the system and then recovering the correct state-to-state dynamics at the temperature of interest. TAD has been used to study various materials applications, often revealing surprising behavior beyond the reach of direct MD. This success has inspired several algorithmic performance enhancements, as well as the analysis of its mathematical framework. Recently, thesemore » enhancements have leveraged parallel programming techniques to enhance both the spatial and temporal scaling of the traditional approach. Here, we review the ongoing evolution of the modern TAD method and introduce the latest development: speculatively parallel TAD.« less

Molecular dynamics insight to phase transition in n-alkanes with carbon nanofillers

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

Rastogi, Monisha; Vaish, Rahul, E-mail: rahul@iitmandi.ac.in; Materials Research Centre, Indian Institute of Science, Bangalore 560 012

2015-05-15

The present work aims to investigate the phase transition, dispersion and diffusion behavior of nanocomposites of carbon nanotube (CNT) and straight chain alkanes. These materials are potential candidates for organic phase change materials(PCMs) and have attracted flurry of research recently. Accurate experimental evaluation of the mass, thermal and transport properties of such composites is both difficult as well as economically taxing. Additionally it is crucial to understand the factors that results in modification or enhancement of their characteristic at atomic or molecular level. Classical molecular dynamics approach has been extended to elucidate the same. Bulk atomistic models have been generatedmore » and subjected to rigorous multistage equilibration. To reaffirm the approach, both canonical and constant-temperature, constant- pressure ensembles were employed to simulate the models under consideration. Explicit determination of kinetic, potential, non-bond and total energy assisted in understanding the enhanced thermal and transport property of the nanocomposites from molecular point of view. Crucial parameters including mean square displacement and simulated self diffusion coefficient precisely define the balance of the thermodynamic and hydrodynamic interactions. Radial distribution function also reflected the density variation, strength and mobility of the nanocomposites. It is expected that CNT functionalization could improve the dispersion within n-alkane matrix. This would further ameliorate the mass and thermal properties of the composite. Additionally, the determined density was in good agreement with experimental data. Thus, molecular dynamics can be utilized as a high throughput technique for theoretical investigation of nanocomposites PCMs.« less

Asymptotic limits of some models for sound propagation in porous media and the assignment of the pore characteristic lengths.

PubMed

Horoshenkov, Kirill V; Groby, Jean-Philippe; Dazel, Olivier

2016-05-01

Modeling of sound propagation in porous media requires the knowledge of several intrinsic material parameters, some of which are difficult or impossible to measure directly, particularly in the case of a porous medium which is composed of pores with a wide range of scales and random interconnections. Four particular parameters which are rarely measured non-acoustically, but used extensively in a number of acoustical models, are the viscous and thermal characteristic lengths, thermal permeability, and Pride parameter. The main purpose of this work is to show how these parameters relate to the pore size distribution which is a routine characteristic measured non-acoustically. This is achieved through the analysis of the asymptotic behavior of four analytical models which have been developed previously to predict the dynamic density and/or compressibility of the equivalent fluid in a porous medium. In this work the models proposed by Johnson, Koplik, and Dashn [J. Fluid Mech. 176, 379-402 (1987)], Champoux and Allard [J. Appl. Phys. 70(4), 1975-1979 (1991)], Pride, Morgan, and Gangi [Phys. Rev. B 47, 4964-4978 (1993)], and Horoshenkov, Attenborough, and Chandler-Wilde [J. Acoust. Soc. Am. 104, 1198-1209 (1998)] are compared. The findings are then used to compare the behavior of the complex dynamic density and compressibility of the fluid in a material pore with uniform and variable cross-sections.

A concentrated solar cavity absorber with direct heat transfer through recirculating metallic particles

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

Sarker, M. R. I., E-mail: islamrabiul@yahoo.com; Saha, Manabendra, E-mail: manabendra.saha@adelaide.edu.au, E-mail: manab04me@gmail.com; Beg, R. A.

A recirculating flow solar particle cavity absorber (receiver) is modeled to investigate the flow behavior and heat transfer characteristics of a novel developing concept. It features a continuous recirculating flow of non-reacting metallic particles (black silicon carbide) with air which are used as a thermal enhancement medium. The aim of the present study is to numerically investigate the thermal behavior and flow characteristics of the proposed concept. The proposed solar particle receiver is modeled using two phase discrete particle model (DPM), RNG k-flow model and discrete ordinate (DO) radiation model. Numerical analysis is carried out considering a solar receiver withmore » only air and the mixture of non-reacting particles and air as a heat transfer as well as heat carrying medium. The parametric investigation is conducted considering the incident solar flux on the receiver aperture and changing air flow rate and recirculation rate inside the receiver. A stand-alone feature of the recirculating flow solar particle receiver concept is that the particles are directly exposed to concentrated solar radiation monotonously through recirculating flow inside the receiver and results in efficient irradiation absorption and convective heat transfer to air that help to achieve high temperature air and consequently increase in thermal efficiency. This paper presents, results from the developed concept and highlights its flow behavior and potential to enhance the heat transfer from metallic particles to air by maximizing heat carrying capacity of the heat transfer medium. The imposed milestones for the present system will be helpful to understand the radiation absorption mechanism of the particles in a recirculating flow based receiver, the thermal transport between the particles, the air and the cavity, and the fluid dynamics of the air and particle in the cavity.« less

Modeling the spatiotemporal variability in subsurface thermal regimes across a low-relief polygonal tundra landscape

DOE PAGES

Kumar, Jitendra; Collier, Nathan; Bisht, Gautam; ...

2016-09-27

Vast carbon stocks stored in permafrost soils of Arctic tundra are under risk of release to the atmosphere under warming climate scenarios. Ice-wedge polygons in the low-gradient polygonal tundra create a complex mosaic of microtopographic features. This microtopography plays a critical role in regulating the fine-scale variability in thermal and hydrological regimes in the polygonal tundra landscape underlain by continuous permafrost. Modeling of thermal regimes of this sensitive ecosystem is essential for understanding the landscape behavior under the current as well as changing climate. Here, we present an end-to-end effort for high-resolution numerical modeling of thermal hydrology at real-world fieldmore » sites, utilizing the best available data to characterize and parameterize the models. We also develop approaches to model the thermal hydrology of polygonal tundra and apply them at four study sites near Barrow, Alaska, spanning across low to transitional to high-centered polygons, representing a broad polygonal tundra landscape. A multiphase subsurface thermal hydrology model (PFLOTRAN) was developed and applied to study the thermal regimes at four sites. Using a high-resolution lidar digital elevation model (DEM), microtopographic features of the landscape were characterized and represented in the high-resolution model mesh. The best available soil data from field observations and literature were utilized to represent the complex heterogeneous subsurface in the numerical model. Simulation results demonstrate the ability of the developed modeling approach to capture – without recourse to model calibration – several aspects of the complex thermal regimes across the sites, and provide insights into the critical role of polygonal tundra microtopography in regulating the thermal dynamics of the carbon-rich permafrost soils. Moreover, areas of significant disagreement between model results and observations highlight the importance of field-based observations of soil thermal and hydraulic properties for modeling-based studies of permafrost thermal dynamics, and provide motivation and guidance for future observations that will help address model and data gaps affecting our current understanding of the system.« less

Uncovering New Thermal and Elastic Properties of Nanostructured Materials Using Coherent EUV Light

NASA Astrophysics Data System (ADS)

Hernandez Charpak, Jorge Nicolas

Advances in nanofabrication have pushed the characteristic dimensions of nanosystems well below 100nm, where physical properties are often significantly different from their bulk counterparts, and accurate models are lacking. Critical technologies such as thermoelectrics for energy harvesting, nanoparticle-mediated thermal therapy, nano-enhanced photovoltaics, and efficient thermal management in integrated circuits depend on our increased understanding of the nanoscale. However, traditional microscopic characterization tools face fundamental limits at the nanoscale. Theoretical efforts to build a fundamental picture of nanoscale thermal dynamics lack experimental validation and still struggle to account for newly reported behaviors. Moreover, precise characterization of the elastic behavior of nanostructured systems is needed for understanding the unique physics that become apparent in small-scale systems, such as thickness-dependent or fabrication-dependent elastic properties. In essence, our ability to fabricate nanosystems has outstripped our ability to understand and characterize them. In my PhD thesis, I present the development and refinement of coherent extreme ultraviolet (EUV) nanometrology, a novel tool used to probe material properties at the intrinsic time- and length-scales of nanoscale dynamics. By extending ultrafast photoacoustic and thermal metrology techniques to very short probing wavelengths using tabletop coherent EUV beams from high-harmonic upconversion (HHG) of femtosecond lasers, coherent EUV nanometrology allows for a new window into nanoscale physics, previously unavailable with traditional techniques. Using this technique, I was able to probe both thermal and acoustic dynamics in nanostructured systems with characteristic dimensions below 50nm with high temporal (sub-ps) and spatial (<10pm vertical) resolution, including the smallest heat sources probed (20nm) and thinnest film (10.9nm) fully mechanically characterized to date. By probing nanoscale thermal transport (i.e. cooling) of periodic hot nanostructures down to 20nm in characteristic dimension in both 1D (nanolines) and 2D (nanocubes) geometries, I uncovered a new surprising regime of nanoscale thermal transport called the "collectively-diffusive regime". In this regime, nanoscale hot spots cool faster when placed closer together than when farther apart. This is a consequence of the interplay between both the size and spacing of the nanoscale heat sources with the phonon spectrum of a material. This makes our technique one of the only experimental routes to directly probe the dynamics of phonons in complex materials, which is critical to both technological applications and fundamental condensed matter physics. I developed a proof of concept model and used it to extract the first experimental differential conductivity phonon mean free path (MFP) spectra for silicon and sapphire, which compare well with first-principles calculations. However, a complete picture of the physics is still elusive. Thus, I developed a computational solver for the phonon Boltzmann transport equation in realistic experimental geometries. Using this approach, I successfully found confirmation of the influence of the period in thermal transport from periodic heat sources: a smaller periodicity can enhance the heat dissipation efficiency. This result is qualitatively consistent with the results of the "collectively-diffusive regime", but more work is needed for a full theoretical quantitative picture of the experimental results. In other work, I used coherent EUV nanometrology to simultaneously measure, in a non-contact and non-destructive way, Young's modulus and, for the first time, Poisson's ratio of ultra-thin films. I successfully extracted the full elastic tensor of the thinnest films to date (10.9nm). Moreover, by using our technique on a series of low-k dielectric sub-100 nm SiC:H films, I uncovered an unexpected transition from compressible to non-compressible behavior. This new behavior is observed for materials whose network connectivity had been modified through hydrogenation (that breaks bonds in order to decrease the dielectric constant of these materials). This finding demonstrates that coherent EUV nanometrology provides a valuable, quantitative new tool for measuring nanomaterial properties with dimensions an order of magnitude smaller than what was possible with traditional techniques. I also present here some of my written work on science and technology policy studies. I present my thoughts on the Kuhnian model of scientific revolutions and how it relates to my own experience. I also discuss two case studies to illustrate the critical importance of defining appropriate metrics to measure science policies by looking at the design of metrics for the American Reinvestment and Recovery Act, and the results of exploring a novel modality of funding for large complex scientific and technological challenges: the US Department of Energy Innovation HUBs. Coherent EUV nanometrology presents an exciting new window into nanoscale phonon dynamics, making measurements of the phonon MFP spectrum of materials and the full elastic tensor of ultra-thin films possible. It is now a robust technique that is already having impact in many areas of materials science and condensed matter physics, and it will continue to do so in the future.

Thermosensory perception regulates speed of movement in response to temperature changes in Drosophila melanogaster.

PubMed

Soto-Padilla, Andrea; Ruijsink, Rick; Sibon, Ody C M; van Rijn, Hedderik; Billeter, Jean-Christophe

2018-04-12

Temperature influences physiology and behavior of all organisms. For ectotherms, which lack central temperature regulation, temperature adaptation requires sheltering from or moving to a heat source. As temperature constrains the rate of metabolic reactions, it can directly affect ectotherm physiology and thus behavioral performance. This direct effect is particularly relevant for insects whose small body readily equilibrates with ambient temperature. In fact, models of enzyme kinetics applied to insect behavior predict performance at different temperatures, suggesting that thermal physiology governs behavior. However, insects also possess thermosensory neurons critical for locating preferred temperatures, showing cognitive control. This suggests that temperature-related behavior can emerge directly from a physiological effect, indirectly as consequence of thermosensory processing, or through both. To separate the roles of thermal physiology and cognitive control, we developed an arena that allows fast temperature changes in time and space, and in which animals' movements are automatically quantified. We exposed wild-type and thermosensory receptor mutants Drosophila melanogaster to a dynamic temperature environment and tracked their movements. The locomotor speed of wild-type flies closely matched models of enzyme kinetics, but the behavior of thermosensory mutants did not. Mutations in thermosensory receptor dTrpA1 ( Transient receptor potential ) expressed in the brain resulted in a complete lack of response to temperature changes, while mutation in peripheral thermosensory receptor Gr28b(D) resulted in diminished response. We conclude that flies react to temperature through cognitive control, informed by interactions between various thermosensory neurons, whose behavioral output resembles that of enzyme kinetics. © 2018. Published by The Company of Biologists Ltd.

Projection-Based Reduced Order Modeling for Spacecraft Thermal Analysis

NASA Technical Reports Server (NTRS)

Qian, Jing; Wang, Yi; Song, Hongjun; Pant, Kapil; Peabody, Hume; Ku, Jentung; Butler, Charles D.

2015-01-01

This paper presents a mathematically rigorous, subspace projection-based reduced order modeling (ROM) methodology and an integrated framework to automatically generate reduced order models for spacecraft thermal analysis. Two key steps in the reduced order modeling procedure are described: (1) the acquisition of a full-scale spacecraft model in the ordinary differential equation (ODE) and differential algebraic equation (DAE) form to resolve its dynamic thermal behavior; and (2) the ROM to markedly reduce the dimension of the full-scale model. Specifically, proper orthogonal decomposition (POD) in conjunction with discrete empirical interpolation method (DEIM) and trajectory piece-wise linear (TPWL) methods are developed to address the strong nonlinear thermal effects due to coupled conductive and radiative heat transfer in the spacecraft environment. Case studies using NASA-relevant satellite models are undertaken to verify the capability and to assess the computational performance of the ROM technique in terms of speed-up and error relative to the full-scale model. ROM exhibits excellent agreement in spatiotemporal thermal profiles (<0.5% relative error in pertinent time scales) along with salient computational acceleration (up to two orders of magnitude speed-up) over the full-scale analysis. These findings establish the feasibility of ROM to perform rational and computationally affordable thermal analysis, develop reliable thermal control strategies for spacecraft, and greatly reduce the development cycle times and costs.

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

Liu, Rumeng; Wang, Lifeng, E-mail: walfe@nuaa.edu.cn

The nonlinear thermal vibration behavior of a single-walled carbon nanotube (SWCNT) is investigated by molecular dynamics simulation and a nonlinear, nonplanar beam model. Whirling motion with energy transfer between flexural motions is found in the free vibration of the SWCNT excited by the thermal motion of atoms where the geometric nonlinearity is significant. A nonlinear, nonplanar beam model considering the coupling in two vertical vibrational directions is presented to explain the whirling motion of the SWCNT. Energy in different vibrational modes is not equal even over a time scale of tens of nanoseconds, which is much larger than the periodmore » of fundamental natural vibration of the SWCNT at equilibrium state. The energy of different modes becomes equal when the time scale increases to the microsecond range.« less

Thermal dynamic simulation of wall for building energy efficiency under varied climate environment

NASA Astrophysics Data System (ADS)

Wang, Xuejin; Zhang, Yujin; Hong, Jing

2017-08-01

Aiming at different kind of walls in five cities of different zoning for thermal design, using thermal instantaneous response factors method, the author develops software to calculation air conditioning cooling load temperature, thermal response factors, and periodic response factors. On the basis of the data, the author gives the net work analysis about the influence of dynamic thermal of wall on air-conditioning load and thermal environment in building of different zoning for thermal design regional, and put forward the strategy how to design thermal insulation and heat preservation wall base on dynamic thermal characteristic of wall under different zoning for thermal design regional. And then provide the theory basis and the technical references for the further study on the heat preservation with the insulation are in the service of energy saving wall design. All-year thermal dynamic load simulating and energy consumption analysis for new energy-saving building is very important in building environment. This software will provide the referable scientific foundation for all-year new thermal dynamic load simulation, energy consumption analysis, building environment systems control, carrying through farther research on thermal particularity and general particularity evaluation for new energy -saving walls building. Based on which, we will not only expediently design system of building energy, but also analyze building energy consumption and carry through scientific energy management. The study will provide the referable scientific foundation for carrying through farther research on thermal particularity and general particularity evaluation for new energy saving walls building.

Dynamic-Type Ice Thermal Storage Systems

NASA Astrophysics Data System (ADS)

Ohira, Akiyoshi

This paper deals with reviews for research and development of a dynamic-type ice thermal storage system. This system has three main features. First, the ice thermal storage tank and the ice generator are separate. Second, ice is transported to the tank from the ice generator by water or air. Third, the ice making and melting processes are operated at the same time. Outlet water temperature from the dynamic-type ice thermal storage tank remains low for a longer time. In this paper, dynamic-Type ice thermal storage systems are divided into three parts: the ice making part, the ice transport part, and the cold energy release part. Each part is reviewed separately.

Sideways Views of the Moon: Mapping Directional Thermal Emission with Diviner

NASA Astrophysics Data System (ADS)

Greenhagen, B. T.; Bandfield, J.; Bowles, N. E.; Hayne, P. O.; Sefton-Nash, E.; Warren, T.; Paige, D. A.

2017-12-01

Systematic off-nadir observations can be used to characterize the emission phase function and radiative balance of the lunar surface. These are critical inputs for thermophysical models used to derive surface properties and study a wide range of dynamic surface properties, such as the stability of volatiles and development and evolution of regolith, on the Moon and other airless bodies. After over eight years in operation and well into its 3rd extended science mission, NASA's Lunar Reconnaissance Orbiter (LRO) Diviner Lunar Radiometer (Diviner) continues to reveal the extreme nature of the Moon's thermal environments, thermophysical properties, and surface composition. Diviner data are also used to characterize thermal emission behavior that is fundamental to airless bodies with fine-particulate surfaces, including epiregolith thermal gradients and thermal-scale surface roughness. Diviner's extended operations have provided opportunities to observe the lunar surface with a wide range of viewing geometries. Together Diviner's self-articulation and LRO's non-sun-synchronous polar orbit offer a unique platform to observe the lunar surface and characterize the emission phase behavior and radiative balance. Recently, Diviner completed global off-nadir observations at 50° and 70° in the anti-sun (low phase) direction with 8 different local times each. This fall, we'll begin a third campaign to observe the Moon at 50° emission in the pro-sun (high phase) direction. Here we present this new global off-nadir dataset, highlight models and laboratory experiments used to interpret the data, and describe the role of these data in studying the Moon and other airless bodies.

Martian thermal tides from the surface to the atmosphere

NASA Astrophysics Data System (ADS)

Holstein-Rathlou, C.; Withers, P.

2017-12-01

The presence of observational platforms both in orbit and on the surface of Mars today provides a unique opportunity to simultaneously study the effects of thermal tides at the surface, above that surface location and in the atmosphere. Thermal tides are an important aspect of the atmospheric dynamics on Mars and the unique opportunity to unify landed and orbital measurements can provide a comprehensive understanding of thermal tides. Ideally, pressure measurements from the Curiosity lander and atmospheric temperature profiles from the Mars Climate Sounder (MCS) onboard Mars Reconnaissance Orbiter provide a complimentary pair of surface and atmospheric observations to study. However, the unique landing site of Curiosity, in Gale crater, introduces several complicating factors to the analysis of tidal behavior, two of which are crater circulation and the impact of the dichotomy boundary topography. In order to achieve a baseline understanding of thermal tidal behavior another complimentary pair of observations is necessary. For this purpose, the equatorial and relatively topographically flat landing site of the Viking 1 (VIK1) lander, along with its lengthy record of surface pressures, is the candidate surface dataset. There are no concurrent atmospheric observational data, so atmospheric profiles were obtained from the Mars Climate Database to ensure maximum coverage in space and time. 2-dimensional Fourier analysis in local time and longitude has yielded amplitude and phases for the four major tidal modes on Mars (diurnal and semidiurnal migrating tides, DK1 and DK2). We will present current results regarding amplitude and phase dependence on season and altitude at the VIK1 landing site. These results will (in time) be tied to tidal amplitude and phase behavior from observed MCS atmospheric temperature profiles from "appropriately quiet" Mars years (years without major dust storms). The understanding gathered from this approach will then allow us to return to the pressure measurements from Curiosity in Gale Crater, and assess to what degree the "pure" tidal signatures are muddled by various complicating factors, e.g. topography.

Martian thermal tides from the surface to the atmosphere

NASA Astrophysics Data System (ADS)

Holstein-Rathlou, Christina; Withers, Paul

2017-10-01

The presence of observational platforms both in orbit and on the surface of Mars today provides a unique opportunity to simultaneously study the effects of thermal tides at the surface, above that surface location and in the atmosphere. Thermal tides are an important aspect of the atmospheric dynamics on Mars and the unique opportunity to unify landed and orbital measurements can provide a comprehensive understanding of thermal tides.Ideally, pressure measurements from the Curiosity lander and atmospheric temperature profiles from the Mars Climate Sounder (MCS) onboard Mars Reconnaissance Orbiter provide a complimentary pair of surface and atmospheric observations to study. However, the unique landing site of Curiosity, in Gale crater, introduces several complicating factors to the analysis of tidal behavior, two of which are crater circulation and the impact of the dichotomy boundary topography.In order to achieve a baseline understanding of thermal tidal behavior another complimentary pair of observations is necessary. For this purpose, the equatorial and relatively topographically flat landing site of the Viking 1 (VIK1) lander, along with its lengthy record of surface pressures, is the candidate surface dataset. There are no concurrent atmospheric observational data, so atmospheric profiles were obtained from the Mars Climate Database to ensure maximum coverage in space and time.2-dimensional Fourier analysis in local time and longitude has yielded amplitude and phases for the four major tidal modes on Mars (diurnal and semidiurnal migrating tides, DK1 and DK2). We will present current results regarding amplitude and phase dependence on season and altitude at the VIK1 landing site. These results will (in time) be tied to tidal amplitude and phase behavior from observed MCS atmospheric temperature profiles from “appropriately quiet” Mars years (years without major dust storms). The understanding gathered from this approach will then allow us to return to the pressure measurements from Curiosity in Gale Crater, and assess to what degree the “pure” tidal signatures are muddled by various complicating factors, e.g. topography.

Dynamic analysis of concentrated solar supercritical CO2-based power generation closed-loop cycle

DOE PAGES

Osorio, Julian D.; Hovsapian, Rob; Ordonez, Juan C.

2016-01-01

Here, the dynamic behavior of a concentrated solar power (CSP) supercritical CO 2 cycle is studied under different seasonal conditions. The system analyzed is composed of a central receiver, hot and cold thermal energy storage units, a heat exchanger, a recuperator, and multi-stage compression-expansion subsystems with intercoolers and reheaters between compressors and turbines respectively. Energy models for each component of the system are developed in order to optimize operating and design parameters such as mass flow rate, intermediate pressures and the effective area of the recuperator to lead to maximum efficiency. Our results show that the parametric optimization leads themore » system to a process efficiency of about 21 % and a maximum power output close to 1.5 MW. The thermal energy storage allows the system to operate for several hours after sunset. This operating time is approximately increased from 220 to 480 minutes after optimization. The hot and cold thermal energy storage also lessens the temperature fluctuations by providing smooth changes of temperatures at the turbines and compressors inlets. Our results indicate that concentrated solar systems using supercritical CO 2 could be a viable alternative to satisfying energy needs in desert areas with scarce water and fossil fuel resources.« less

Steady state current fluctuations and dynamical control in a nonequilibrium single-site Bose-Hubbard system

NASA Astrophysics Data System (ADS)

Chen, Xu-Min; Wang, Chen; Sun, Ke-Wei

2018-02-01

We investigate nonequilibrium energy transfer in a single-site Bose-Hubbard model coupled to two thermal baths. By including a quantum kinetic equation combined with full counting statistics, we investigate the steady state energy flux and noise power. The influence of the nonlinear Bose-Hubbard interaction on the transfer behaviors is analyzed, and the nonmonotonic features are clearly exhibited. Particularly, in the strong on-site repulsion limit, the results become identical with the nonequilibrium spin-boson model. We also extend the quantum kinetic equation to study the geometric-phase-induced energy pump. An interesting reversal behavior is unraveled by enhancing the Bose-Hubbard repulsion strength.

Thermal Decomposition of Condensed-Phase Nitromethane from Molecular Dynamics from ReaxFF Reactive Dynamics

DTIC Science & Technology

2011-05-04

pubs.acs.org/JPCB Thermal Decomposition of Condensed-Phase Nitromethane from Molecular Dynamics from ReaxFF Reactive Dynamics Si-ping Han,†,‡ Adri C. T. van...ABSTRACT: We studied the thermal decomposition and subsequent reaction of the energetic material nitromethane (CH3NO2) using molec- ular dynamics...with ReaxFF, a first principles-based reactive force field. We characterize the chemistry of liquid and solid nitromethane at high temperatures (2000

Interindividual variation in thermal sensitivity of maximal sprint speed, thermal behavior, and resting metabolic rate in a lizard.

PubMed

Artacho, Paulina; Jouanneau, Isabelle; Le Galliard, Jean-François

2013-01-01

Studies of the relationship of performance and behavioral traits with environmental factors have tended to neglect interindividual variation even though quantification of this variation is fundamental to understanding how phenotypic traits can evolve. In ectotherms, functional integration of locomotor performance, thermal behavior, and energy metabolism is of special interest because of the potential for coadaptation among these traits. For this reason, we analyzed interindividual variation, covariation, and repeatability of the thermal sensitivity of maximal sprint speed, preferred body temperature, thermal precision, and resting metabolic rate measured in ca. 200 common lizards (Zootoca vivipara) that varied by sex, age, and body size. We found significant interindividual variation in selected body temperatures and in the thermal performance curve of maximal sprint speed for both the intercept (expected trait value at the average temperature) and the slope (measure of thermal sensitivity). Interindividual differences in maximal sprint speed across temperatures, preferred body temperature, and thermal precision were significantly repeatable. A positive relationship existed between preferred body temperature and thermal precision, implying that individuals selecting higher temperatures were more precise. The resting metabolic rate was highly variable but was not related to thermal sensitivity of maximal sprint speed or thermal behavior. Thus, locomotor performance, thermal behavior, and energy metabolism were not directly functionally linked in the common lizard.

A Comprehensive Method To Quantify Adaptations by Male and Female Mice With Hot Flashes Induced by the Neurokinin B Receptor Agonist Senktide.

PubMed

Krull, Ashley A; Larsen, Sarah A; Clifton, Donald K; Neal-Perry, Genevieve; Steiner, Robert A

2017-10-01

Vasomotor symptoms (VMS; or hot flashes) plague millions of reproductive-aged men and women who have natural or iatrogenic loss of sex steroid production. Many affected individuals are left without treatment options because of contraindications to hormone replacement therapy and the lack of equally effective nonhormonal alternatives. Moreover, development of safer, more effective therapies has been stymied by the lack of an animal model that recapitulates the hot-flash phenomenon and enables direct testing of hypotheses regarding the pathophysiology underlying hot flashes. To address these problems, we developed a murine model for hot flashes and a comprehensive method for measuring autonomic and behavioral thermoregulation in mice. We designed and constructed an instrument called a thermocline that produces a thermal gradient along which mice behaviorally adapt to a thermal challenge to their core body temperature set point while their thermal preference over time is tracked and recorded. We tested and validated this murine model for VMS by administration of a TRPV1 agonist and a neurokinin B receptor agonist, capsaicin and senktide, respectively, to unrestrained mice and observed their autonomic and behavioral responses. Following both treatments, the mice exhibited a VMS-like response characterized by a drop in core body temperature and cold-seeking behavior on the thermocline. Senktide also caused a rise in tail skin temperature and increased Fos expression in the median preoptic area, a hypothalamic temperature control center. This dynamic model may be used to fully explore the cellular and molecular bases for VMS and to develop and test new therapeutic options. Copyright © 2017 Endocrine Society.

Microhabitat Selection by Marine Mesoconsumers in a Thermally Heterogeneous Habitat: Behavioral Thermoregulation or Avoiding Predation Risk?

PubMed Central

Vaudo, Jeremy J.; Heithaus, Michael R.

2013-01-01

Habitat selection decisions by consumers has the potential to shape ecosystems. Understanding the factors that influence habitat selection is therefore critical to understanding ecosystem function. This is especially true of mesoconsumers because they provide the link between upper and lower tropic levels. We examined the factors influencing microhabitat selection of marine mesoconsumers – juvenile giant shovelnose rays (Glaucostegus typus), reticulate whiprays (Himantura uarnak), and pink whiprays (H. fai) – in a coastal ecosystem with intact predator and prey populations and marked spatial and temporal thermal heterogeneity. Using a combination of belt transects and data on water temperature, tidal height, prey abundance, predator abundance and ray behavior, we found that giant shovelnose rays and reticulate whiprays were most often found resting in nearshore microhabitats, especially at low tidal heights during the warm season. Microhabitat selection did not match predictions derived from distributions of prey. Although at a course scale, ray distributions appeared to match predictions of behavioral thermoregulation theory, fine-scale examination revealed a mismatch. The selection of the shallow nearshore microhabitat at low tidal heights during periods of high predator abundance (warm season) suggests that this microhabitat may serve as a refuge, although it may come with metabolic costs due to higher temperatures. The results of this study highlight the importance of predators in the habitat selection decisions of mesoconsumers and that within thermal gradients, factors, such as predation risk, must be considered in addition to behavioral thermoregulation to explain habitat selection decisions. Furthermore, increasing water temperatures predicted by climate change may result in complex trade-offs that might have important implications for ecosystem dynamics. PMID:23593501

A quasi-molecular dynamics simulation study on the effect of particles collisions in pulsed-laser desorption

NASA Astrophysics Data System (ADS)

Xinyu-Tan; Duanming-Zhang; Shengqin-Feng; Li, Zhi-hua; Li, Guan; Li, Li; Dan, Liu

2006-05-01

The dynamics characteristic and effect of atoms and particulates ejected from the surface generated by nanosecond pulsed-laser ablation are very important. In this work, based on the consideration of the inelasticity and non-uniformity of the plasma particles thermally desorbed from a plane surface into vacuum induced by nanosecond laser ablation, the one-dimensional particles flow is studied on the basis of a quasi-molecular dynamics (QMD) simulation. It is assumed that atoms and particulates ejected from the surface of a target have a Maxwell velocity distribution corresponding to the surface temperature. Particles collisions in the ablation plume. The particles mass is continuous and satisfies fractal theory distribution. Meanwhile, the particles are inelastic. Our results show that inelasticity and non-uniformity strongly affect the dynamics behavior of the particles flow. Along with the decrease of restitution coefficient e and increase of fractional dimension D, velocity distributions of plasma particles system all deviate from the initial Gaussian distribution. The increasing of dissipation energy ΔE leads to density distribution clusterized and closed up to the center mass. Predictions of the particles action based on the proposed fractal and inelasticity model are found to be in agreement with the experimental observation. This verifies the validity of the present model for the dynamics behavior of pulsed-laser-induced particles flow.

Static and dynamic properties of smoothed dissipative particle dynamics

NASA Astrophysics Data System (ADS)

Alizadehrad, Davod; Fedosov, Dmitry A.

2018-03-01

In this paper, static and dynamic properties of the smoothed dissipative particle dynamics (SDPD) method are investigated. We study the effect of method parameters on SDPD fluid properties, such as structure, speed of sound, and transport coefficients, and show that a proper choice of parameters leads to a well-behaved and accurate fluid model. In particular, the speed of sound, the radial distribution function (RDF), shear-thinning of viscosity, the mean-squared displacement (〈R2 〉 ∝ t), and the Schmidt number (Sc ∼ O (103) - O (104)) can be controlled, such that the model exhibits a fluid-like behavior for a wide range of temperatures in simulations. Furthermore, in addition to the consideration of fluid density variations for fluid compressibility, a more challenging test of incompressibility is performed by considering the Poisson ratio and divergence of velocity field in an elongational flow. Finally, as an example of complex-fluid flow, we present the applicability and validity of the SDPD method with an appropriate choice of parameters for the simulation of cellular blood flow in irregular geometries. In conclusion, the results demonstrate that the SDPD method is able to approximate well a nearly incompressible fluid behavior, which includes hydrodynamic interactions and consistent thermal fluctuations, thereby providing, a powerful approach for simulations of complex mesoscopic systems.

Photoresponsive liquid crystalline epoxy networks with shape memory behavior and dynamic ester bonds

DOE PAGES

Rios, Orlando; Chen, Jihua; Li, Yuzhan; ...

2016-06-01

Functional polymers are intelligent materials that can respond to a variety of external stimuli. However, these materials have not yet found widespread real world applications because of the difficulties in fabrication and the limited number of functional building blocks that can be incorporated into a material. Here, we demonstrate a simple route to incorporate three functional building blocks (azobenzene chromophores, liquid crystals, and dynamic covalent bonds) into an epoxy-based liquid crystalline network (LCN), in which an azobenzene-based epoxy monomer is polymerized with an aliphatic dicarboxylic acid to create exchangeable ester bonds that can be thermally activated. Lastly, all three functionalmore » building blocks exhibited good compatibility, and the resulting materials exhibits various photomechanical, shape memory, and self-healing properties because of the azobenzene molecules, liquid crystals, and dynamic ester bonds, respectively.« less

Compounding effects of fluid confinement and surface strain on the wet–dry transition, thermodynamic response, and dynamics of water–graphene systems

DOE PAGES

Chialvo, Ariel A.; Vlcek, Lukas; Cummings, Peter T.

2014-10-17

We studied the link between the water-mediated (tensile or compressive) strain-driven hydration free energy changes in the association process involving finite-size graphene surfaces, the resulting water-graphene interfacial behavior, and the combined effect of surface strain and fluid confinement on the thermodynamic response functions and the dynamics of water. In this study, we found that either small surface corrugation (compressive strain) or surface stretching (tensile strain) is able to enhance significantly the water-graphene hydrophobicity relative to that of the unstrained surface, an effect that exacerbates the confinement impact on the isothermal compressibility and isobaric thermal expansivity of confined water, as wellmore » as on the slowing down of its dynamics that gives rise to anomalous diffusivity.« less

Emergent kinetic constraints, ergodicity breaking, and cooperative dynamics in noisy quantum systems

NASA Astrophysics Data System (ADS)

Everest, B.; Marcuzzi, M.; Garrahan, J. P.; Lesanovsky, I.

2016-11-01

Kinetically constrained spin systems play an important role in understanding key properties of the dynamics of slowly relaxing materials, such as glasses. Recent experimental studies have revealed that manifest kinetic constraints govern the evolution of strongly interacting gases of highly excited atoms in a noisy environment. Motivated by this development we explore which types of kinetically constrained dynamics can generally emerge in quantum spin systems subject to strong noise and show how, in this framework, constraints are accompanied by conservation laws. We discuss an experimentally realizable case of a lattice gas, where the interplay between those and the geometry of the lattice leads to collective behavior and time-scale separation even at infinite temperature. This is in contrast to models of glass-forming substances which typically rely on low temperatures and the consequent suppression of thermal activation.

Fracturing And Liquid CONvection

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

2012-02-29

FALCON has been developed to enable simulation of the tightly coupled fluid-rock behavior in hydrothermal and engineered geothermal system (EGS) reservoirs, targeting the dynamics of fracture stimulation, fluid flow, rock deformation, and heat transport in a single integrated code, with the ultimate goal of providing a tool that can be used to test the viability of EGS in the United States and worldwide. Reliable reservoir performance predictions of EGS systems require accurate and robust modeling for the coupled thermal­hydrological­mechanical processes.

Ion dynamics in nanocrystalline LiMnPO{sub 4} synthesised by novel template free hydrothermal approach

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

Vijayan, Lakshmi, E-mail: lakshmivijayan@gmail.com; Cheruku, Rajesh; Govindaraj, G.

A dense core rectangular shaped nanocrystalline LiMnPO{sub 4} material was synthesized by template free sucrose assisted hydrothermal synthesis. The material possess orthorhombic crystal structure with Pnma, space group having four formula units. The structural characterization was accomplished through X-ray diffraction, thermo gravimetry/differential thermal analysis. Morphology was identified by the SEM, VSM was used to verify the magnetic behavior of the material and electrical characterization was done through impedance spectroscopy and the results were reported.

Time-resolved photoluminescence in Mobil Composition of Matter-48

NASA Astrophysics Data System (ADS)

Liu, Y. L.; Lee, W. Z.; Shen, J. L.; Lee, Y. C.; Cheng, P. W.; Cheng, C. F.

2004-12-01

Dynamical properties of Mobil Composition of Matter (MCM)-48 were studied by time-resolved photoluminescence (PL). The PL intensity exhibits a clear nonexponential profile, which can be fitted by a stretched exponential function. In the temperature range from 50to300K, the PL decay lifetime becomes thermally activated by a characteristic energy of 25meV, which is suggested to be an indication of the phonon-assisted nonradiative process. A model is proposed to explain the relaxation behavior of the PL in MCM-48.

Constraints on the properties of Pluto's nitrogen-ice rich layer from convection simulations

NASA Astrophysics Data System (ADS)

Wong, T.; McKinnon, W. B.; Schenk, P.

2016-12-01

Pluto's Sputnik Planum basin (informally named) displays regular cellular patterns strongly suggesting that solid-state convection is occurring in a several-kilometers-deep nitrogen-ice rich layer (McKinnon et al., Convection in a volatile nitrogen-ice-rich layer drives Pluto's geological vigour, Nature 534, 82-85, 2016). We investigate the behavior of thermal convection in 2-D that covers a range of parameters applicable to the nitrogen ice layer to constrain its properties such that these long-wavelength surface features can be explained. We perform a suite of numerical simulations of convection with basal heating and temperature-dependent viscosity in either exponential form or Arrhenius form. For a plausible range of Rayleigh numbers and viscosity contrasts for solid nitrogen, convection can occur in all possible regimes: sluggish lid, transitional, or stagnant lid, or the layer could be purely conducting. We suggest the range of depth and temperature difference across the layer for convection to occur. We observe that the plume dynamics can be widely different in terms of the aspect ratio of convecting cells, or the width and spacing of plumes, and also in the lateral movement of plumes. These differences depend on the regime of convection determined by the Rayleigh number and the actual viscosity contrast across the layer, but is not sensitive to whether the viscosity is in Arrhenius or exponential form. The variations in plume dynamics result in different types of dynamic topography, which can be compared with the observed horizontal and vertical scales of the cells in Sputnik Planum. Based on these simulations we suggest several different possibilities for the formation and evolution of Sputnik Planum, which may be a consequence of the time-dependent behavior of thermal convection.

Tunable organization of cellulose nanocrystals for controlled thermal and optical response

NASA Astrophysics Data System (ADS)

Diaz A., Jairo A.

The biorenewable nature of cellulose nanocrystals (CNCs) has opened up new opportunities for cost-effective, sustainable materials design. By taking advantage of their distinctive structural properties and self-assembly, promising applications have started to nurture the fields of flexible electronics, biomaterials, and nanocomposites. CNCs exhibit two fundamental characteristics: rod-like morphology (5-20 nm wide, 50-500 nm long), and lyotropic behavior (i.e., liquid crystalline mesophases formed in solvents), which offer unique opportunities for structural control and fine tuning of thermal and optical properties based on a proper understanding of their individual behavior and interactions at different length scales. In the present work, we attempt to provide an integral description of the influence of single crystals in the thermal and optical response exhibited by nanostructured films. Our approach involved the connection of experimental evidence with predictions of molecular dynamics (MD) simulations. In order to assess the effect of CNC orientation in the bulk response, we produced cellulose nanostructured films under two different mechanisms, namely, self-organization and shear orientation. Self-organized nanostructured films exhibited the typical iridescent optical reflection generated by chiral nematic organization. Shear oriented films disrupted the cholesteric organization, generating highly aligned structures with high optical transparency. The resultant CNC organization present in all nanostructured films was estimated by a second order statistical orientational distribution based on two- dimensional XRD signals. A new method to determine the coefficient of thermal expansion (CTE) in a contact-free fashion was developed to properly characterize the thermal expansion of thin soft films by excluding other thermally activated phenomena. The method can be readily extended to other soft materials to accurately measure thermal strains in a non-destructive way. By evaluating the magnitude of film CTEs relative to those of individual CNC crystals, we highlighted the significant role played by crystalline interfaces. Likewise, after measuring the thermal conductivity of a single crystal and CNC films having multiple organizations, the interfacial thermal resistance arose as a governing factor for heat transport. We will offer further insights into the intricate connection of thermal and optical properties towards a future efficient manufacture and optimal CNC based-materials design.

Suppression of anomalous synchronization and nonstationary behavior of neural network under small-world topology

NASA Astrophysics Data System (ADS)

Boaretto, B. R. R.; Budzinski, R. C.; Prado, T. L.; Kurths, J.; Lopes, S. R.

2018-05-01

It is known that neural networks under small-world topology can present anomalous synchronization and nonstationary behavior for weak coupling regimes. Here, we propose methods to suppress the anomalous synchronization and also to diminish the nonstationary behavior occurring in weakly coupled neural network under small-world topology. We consider a network of 2000 thermally sensitive identical neurons, based on the model of Hodgkin-Huxley in a small-world topology, with the probability of adding non local connection equal to p = 0 . 001. Based on experimental protocols to suppress anomalous synchronization, as well as nonstationary behavior of the neural network dynamics, we make use of (i) external stimulus (pulsed current); (ii) biologic parameters changing (neuron membrane conductance changes); and (iii) body temperature changes. Quantification analysis to evaluate phase synchronization makes use of the Kuramoto's order parameter, while recurrence quantification analysis, particularly the determinism, computed over the easily accessible mean field of network, the local field potential (LFP), is used to evaluate nonstationary states. We show that the methods proposed can control the anomalous synchronization and nonstationarity occurring for weak coupling parameter without any effect on the individual neuron dynamics, neither in the expected asymptotic synchronized states occurring for large values of the coupling parameter.

Thermal and fluid-dynamics behavior of circulating systems in the case of pressure relief

NASA Astrophysics Data System (ADS)

Moeller, L.

Aspects of safety in the case of large-scale installations with operational high-pressure conditions must be an important consideration already during the design of such installations, taking into account all conceivable disturbances. Within an analysis of such disturbances, studies related to pressure relief processes will have to occupy a central position. For such studies, it is convenient to combine experiments involving small-scale models of the actual installation with suitable computational programs. The experiments can be carried out at lower pressures and temperatures if the actual fluid is replaced by another medium, such as, for instance, a refrigerant. This approach has been used in the present investigation. The obtained experimental data are employed as a basis for a verification of the results provided by the computational model 'Frelap-UK' which has been expressly developed for the analysis of system behavior in the case of pressure relief. It is found that the computer fluid-dynamics characteristics agree with the experimental results.

Limits of metastability in amorphous ices: the neutron scattering Debye-Waller factor.

PubMed

Amann-Winkel, Katrin; Löw, Florian; Handle, Philip H; Knoll, Wiebke; Peters, Judith; Geil, Burkhard; Fujara, Franz; Loerting, Thomas

2012-12-21

Recently, it became clear that relaxation effects in amorphous ices play a very important role that has previously been overlooked. The thermodynamic history of amorphous samples strongly affects their transition behavior. In particular, well-relaxed samples show higher thermal stability, thereby providing a larger window to investigate their glass transitions. We here present neutron scattering experiments using fixed elastic window scans on relaxed forms of amorphous ice, namely expanded high density amorphous ice (eHDA), a variant of low density amorphous ice (LDA-II) and hyperquenched glassy water (HGW). These amorphous ices are expected to be true glassy counterparts of deeply supercooled liquid water, therefore fast precursor dynamics of structural relaxation are expected to appear below the calorimetric glass transition temperature. The Debye-Waller factor shows a very weak sub-T(g) anomaly in some of the samples, which might be the signature of such fast precursor dynamics. However, we cannot find this behavior consistently in all samples at all reciprocal length scales of momentum transfer.

Irreversible opinion spreading on scale-free networks

NASA Astrophysics Data System (ADS)

Candia, Julián

2007-02-01

We study the dynamical and critical behavior of a model for irreversible opinion spreading on Barabási-Albert (BA) scale-free networks by performing extensive Monte Carlo simulations. The opinion spreading within an inhomogeneous society is investigated by means of the magnetic Eden model, a nonequilibrium kinetic model for the growth of binary mixtures in contact with a thermal bath. The deposition dynamics, which is studied as a function of the degree of the occupied sites, shows evidence for the leading role played by hubs in the growth process. Systems of finite size grow either ordered or disordered, depending on the temperature. By means of standard finite-size scaling procedures, the effective order-disorder phase transitions are found to persist in the thermodynamic limit. This critical behavior, however, is absent in related equilibrium spin systems such as the Ising model on BA scale-free networks, which in the thermodynamic limit only displays a ferromagnetic phase. The dependence of these results on the degree exponent is also discussed for the case of uncorrelated scale-free networks.

A Gas-Surface Interaction Model based on Accelerated Reactive Molecular Dynamics for Hypersonic Conditions including Thermal Conduction

DTIC Science & Technology

2012-02-28

Interaction Model based on Accelerated Reactive Molecular Dynamics for Hypersonic conditions including Thermal Conduction FA9550-09-1-0157 Schwartzentruber...Dynamics for Hypersonic Conditions including Thermal Conduction Grant/Contract Number: FA9550-09-1-0157 Program Manager: Dr. John Schmisseur PI...through the boundary layer and may chemically react with the vehicle’s thermal protection system (TPS). Many TPS materials act as a catalyst for the

Carrier thermalization dynamics in single zincblende and wurtzite InP Nanowires.

PubMed

Wang, Yuda; Jackson, Howard E; Smith, Leigh M; Burgess, Tim; Paiman, Suriati; Gao, Qiang; Tan, Hark Hoe; Jagadish, Chennupati

2014-12-10

Using transient Rayleigh scattering (TRS) measurements, we obtain photoexcited carrier thermalization dynamics for both zincblende (ZB) and wurtzite (WZ) InP single nanowires (NW) with picosecond resolution. A phenomenological fitting model based on direct band-to-band transition theory is developed to extract the electron-hole-plasma density and temperature as a function of time from TRS measurements of single nanowires, which have complex valence band structures. We find that the thermalization dynamics of hot carriers depends strongly on material (GaAs NW vs InP NW) and less strongly on crystal structure (ZB vs WZ). The thermalization dynamics of ZB and WZ InP NWs are similar. But a comparison of the thermalization dynamics in ZB and WZ InP NWs with ZB GaAs NWs reveals more than an order of magnitude slower relaxation for the InP NWs. We interpret these results as reflecting their distinctive phonon band structures that lead to different hot phonon effects. Knowledge of hot carrier thermalization dynamics is an essential component for effective incorporation of nanowire materials into electronic devices.

Thermal performances of vertical hybrid PV/T air collector

NASA Astrophysics Data System (ADS)

Tabet, I.; Touafek, K.; Bellel, N.; Khelifa, A.

2016-11-01

In this work, numerical analyses and the experimental validation of the thermal behavior of a vertical photovoltaic thermal air collector are investigated. The thermal model is developed using the energy balance equations of the PV/T air collector. Experimental tests are conducted to validate our mathematical model. The tests are performed in the southern Algerian region (Ghardaïa) under clear sky conditions. The prototype of the PV/T air collector is vertically erected and south oriented. The absorber upper plate temperature, glass cover temperature, air temperature in the inlet and outlet of the collector, ambient temperature, wind speed, and solar radiation are measured. The efficiency of the collector increases with increase in mass flow of air, but the increase in mass flow of air reduces the temperature of the system. The increase in efficiency of the PV/T air collector is due to the increase in the number of fins added. In the experiments, the air temperature difference between the inlet and the outlet of the PV/T air collector reaches 10 ° C on November 21, 2014, the interval time is between 10:00 and 14:00, and the temperature of the upper plate reaches 45 ° C at noon. The mathematical model describing the dynamic behavior of the typical PV/T air collector is evaluated by calculating the root mean square error and mean absolute percentage error. A good agreement between the experiment and the simulation results is obtained.

Temperature-Dependent Short-Circuit Capability of Silicon Carbide Power MOSFETs

DOE PAGES

Wang, Zhiqiang; Shi, Xiaojie; Tolbert, Leon M.; ...

2016-02-01

Our paper presents a comprehensive short-circuit ruggedness evaluation and numerical investigation of up-to-date commercial silicon carbide (SiC) MOSFETs. The short-circuit capability of three types of commercial 1200-V SiC MOSFETs is tested under various conditions, with case temperatures from 25 to 200 degrees C and dc bus voltages from 400 to 750 V. It is found that the commercial SiC MOSFETs can withstand short-circuit current for only several microseconds with a dc bus voltage of 750 V and case temperature of 200 degrees C. Moreover, the experimental short-circuit behaviors are compared, and analyzed through numerical thermal dynamic simulation. Specifically, an electrothermalmore » model is built to estimate the device internal temperature distribution, considering the temperature-dependent thermal properties of SiC material. Based on the temperature information, a leakage current model is derived to calculate the main leakage current components (i.e., thermal, diffusion, and avalanche generation currents). Finally, numerical results show that the short-circuit failure mechanisms of SiC MOSFETs can be thermal generation current induced thermal runaway or high-temperature-related gate oxide damage.« less

Thermodynamic properties of hydrate phases immersed in ice phase

NASA Astrophysics Data System (ADS)

Belosludov, V. R.; Subbotin, O. S.; Krupskii, D. S.; Ikeshoji, T.; Belosludov, R. V.; Kawazoe, Y.; Kudoh, J.

2006-01-01

Thermodynamic properties and the pressure of hydrate phases immersed in the ice phase with the aim to understand the nature of self-preservation effect of methane hydrate in the framework of macroscopic and microscopic molecular models was studied. It was show that increasing of pressure is happen inside methane hydrate phases immersed in the ice phase under increasing temperature and if the ice structure does not destroy, the methane hydrate will have larger pressure than ice phase. This is because of the thermal expansion of methane hydrate in a few times larger than ice one. The thermal expansion of the hydrate is constrained by the thermal expansion of ice because it can remain in a region of stability within the methane hydrate phase diagram. The utter lack of preservation behavior in CS-II methane- ethane hydrate can be explain that the thermal expansion of ethane-methane hydrate coincide with than ice one it do not pent up by thermal expansion of ice. The pressure and density during the crossing of interface between ice and hydrate was found and dynamical and thermodynamic stability of this system are studied in accordance with relation between ice phase and hydrate phase.

Theoretical Analysis of Thermal Transport in Graphene Supported on Hexagonal Boron Nitride: The Importance of Strong Adhesion Due to π -Bond Polarization

NASA Astrophysics Data System (ADS)

Pak, Alexander J.; Hwang, Gyeong S.

2016-09-01

One important attribute of graphene that makes it attractive for high-performance electronics is its inherently large thermal conductivity (κ ) for the purposes of thermal management. Using a combined density-functional theory and classical molecular-dynamics approach, we predict that the κ of graphene supported on hexagonal boron nitride (h -BN) can be as large as 90% of the κ of suspended graphene, in contrast to the significant suppression of κ (more than 70% reduction) on amorphous silica. Interestingly, we find that this enhanced thermal transport is largely attributed to increased lifetimes of the in-plane acoustic phonon modes, which is a notable contrast from the dominant contribution of out-of-plane acoustic modes in suspended graphene. This behavior is possible due to the charge polarization throughout graphene that induces strong interlayer adhesion between graphene and h -BN. These findings highlight the potential benefit of layered dielectric substrates such as h -BN for graphene-based thermal management, in addition to their electronic advantages. Furthermore, our study brings attention to the importance of understanding the interlayer interactions of graphene with layered dielectric materials which may offer an alternative technological platform for substrates in electronics.

Thermal expansion behavior of LDEF metal matrix composites

NASA Technical Reports Server (NTRS)

Le, Tuyen D.; Steckel, Gary L.

1993-01-01

The thermal expansion behavior of Long Duration Exposure Facility (LDEF) metal matrix composite materials was studied by (1) analyzing the flight data that was recorded on orbit to determine the effects of orbital time and heating/cooling rates on the performance of the composite materials, and (2) characterizing and comparing the thermal expansion behavior of post-flight LDEF and lab-control samples. The flight data revealed that structures in space are subjected to nonuniform temperature distributions, and thermal conductivity of a material is an important factor in establishing a uniform temperature distribution and avoiding thermal distortion. The flight and laboratory data showed that both Gr/Al and Gr/Mg composites were stabilized after prolonged thermal cycling on orbit. However, Gr/Al composites showed more stable thermal expansion behavior than Gr/Mg composites and offer advantages for space structures particularly where very tight thermal stability requirements in addition to high material performance must be met.

Experimental Validation of a Thermoelastic Model for SMA Hybrid Composites

NASA Technical Reports Server (NTRS)

Turner, Travis L.

2001-01-01

This study presents results from experimental validation of a recently developed model for predicting the thermomechanical behavior of shape memory alloy hybrid composite (SMAHC) structures, composite structures with an embedded SMA constituent. The model captures the material nonlinearity of the material system with temperature and is capable of modeling constrained, restrained, or free recovery behavior from experimental measurement of fundamental engineering properties. A brief description of the model and analysis procedures is given, followed by an overview of a parallel effort to fabricate and characterize the material system of SMAHC specimens. Static and dynamic experimental configurations for the SMAHC specimens are described and experimental results for thermal post-buckling and random response are presented. Excellent agreement is achieved between the measured and predicted results, fully validating the theoretical model for constrained recovery behavior of SMAHC structures.

3D Thermal and Mechanical Analysis of a Single Event Burnout

NASA Astrophysics Data System (ADS)

Peretti, Gabriela; Demarco, Gustavo; Romero, Eduardo; Tais, Carlos

2015-08-01

This paper presents a study related to thermal and mechanical behavior of power DMOS transistors during a Single Event Burnout (SEB) process. We use a cylindrical heat generation region for emulating the thermal and mechanical phenomena related to the SEB. In this way, it is avoided the complexity of the mathematical treatment of the ion-device interaction. This work considers locating the heat generation region in positions that are more realistic than the ones used in previous work. For performing the study, we formulate and validate a new 3D model for the transistor that maintains the computational cost at reasonable level. The resulting mathematical models are solved by means of the Finite Element Method. The simulations results show that the failure dynamics is dominated by the mechanical stress in the metal layer. Additionally, the time to failure depends on the heat source position, for a given power and dimension of the generation region. The results suggest that 3D modeling should be considered for a detailed study of thermal and mechanical effects induced by SEBs.

Finite Element Analysis of Active and Sensory Thermopiezoelectric Composite Materials. Degree awarded by Northwestern Univ., Dec. 2000

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun

2001-01-01

Analytical formulations are developed to account for the coupled mechanical, electrical, and thermal response of piezoelectric composite materials. The coupled response is captured at the material level through the thermopiezoelectric constitutive equations and leads to the inherent capability to model both the sensory and active responses of piezoelectric materials. A layerwise laminate theory is incorporated to provide more accurate analysis of the displacements, strains, stresses, electric fields, and thermal fields through-the-thickness. Thermal effects which arise from coefficient of thermal expansion mismatch, pyroelectric effects, and temperature dependent material properties are explicitly accounted for in the formulation. Corresponding finite element formulations are developed for piezoelectric beam, plate, and shell elements to provide a more generalized capability for the analysis of arbitrary piezoelectric composite structures. The accuracy of the current formulation is verified with comparisons from published experimental data and other analytical models. Additional numerical studies are also conducted to demonstrate additional capabilities of the formulation to represent the sensory and active behaviors. A future plan of experimental studies is provided to characterize the high temperature dynamic response of piezoelectric composite materials.

Effect of biomimetic non-smooth unit morphology on thermal fatigue behavior of H13 hot-work tool steel

NASA Astrophysics Data System (ADS)

Meng, Chao; Zhou, Hong; Cong, Dalong; Wang, Chuanwei; Zhang, Peng; Zhang, Zhihui; Ren, Luquan

2012-06-01

The thermal fatigue behavior of hot-work tool steel processed by a biomimetic coupled laser remelting process gets a remarkable improvement compared to untreated sample. The 'dowel pin effect', the 'dam effect' and the 'fence effect' of non-smooth units are the main reason of the conspicuous improvement of the thermal fatigue behavior. In order to get a further enhancement of the 'dowel pin effect', the 'dam effect' and the 'fence effect', this study investigated the effect of different unit morphologies (including 'prolate', 'U' and 'V' morphology) and the same unit morphology in different sizes on the thermal fatigue behavior of H13 hot-work tool steel. The results showed that the 'U' morphology unit had the optimum thermal fatigue behavior, then the 'V' morphology which was better than the 'prolate' morphology unit; when the unit morphology was identical, the thermal fatigue behavior of the sample with large unit sizes was better than that of the small sizes.

Probing dynamics and pinning of single vortices in superconductors at nanometer scales.

PubMed

Embon, L; Anahory, Y; Suhov, A; Halbertal, D; Cuppens, J; Yakovenko, A; Uri, A; Myasoedov, Y; Rappaport, M L; Huber, M E; Gurevich, A; Zeldov, E

2015-01-07

The dynamics of quantized magnetic vortices and their pinning by materials defects determine electromagnetic properties of superconductors, particularly their ability to carry non-dissipative currents. Despite recent advances in the understanding of the complex physics of vortex matter, the behavior of vortices driven by current through a multi-scale potential of the actual materials defects is still not well understood, mostly due to the scarcity of appropriate experimental tools capable of tracing vortex trajectories on nanometer scales. Using a novel scanning superconducting quantum interference microscope we report here an investigation of controlled dynamics of vortices in lead films with sub-Angstrom spatial resolution and unprecedented sensitivity. We measured, for the first time, the fundamental dependence of the elementary pinning force of multiple defects on the vortex displacement, revealing a far more complex behavior than has previously been recognized, including striking spring softening and broken-spring depinning, as well as spontaneous hysteretic switching between cellular vortex trajectories. Our results indicate the importance of thermal fluctuations even at 4.2 K and of the vital role of ripples in the pinning potential, giving new insights into the mechanisms of magnetic relaxation and electromagnetic response of superconductors.

Probing dynamics and pinning of single vortices in superconductors at nanometer scales

NASA Astrophysics Data System (ADS)

Embon, L.; Anahory, Y.; Suhov, A.; Halbertal, D.; Cuppens, J.; Yakovenko, A.; Uri, A.; Myasoedov, Y.; Rappaport, M. L.; Huber, M. E.; Gurevich, A.; Zeldov, E.

2015-01-01

The dynamics of quantized magnetic vortices and their pinning by materials defects determine electromagnetic properties of superconductors, particularly their ability to carry non-dissipative currents. Despite recent advances in the understanding of the complex physics of vortex matter, the behavior of vortices driven by current through a multi-scale potential of the actual materials defects is still not well understood, mostly due to the scarcity of appropriate experimental tools capable of tracing vortex trajectories on nanometer scales. Using a novel scanning superconducting quantum interference microscope we report here an investigation of controlled dynamics of vortices in lead films with sub-Angstrom spatial resolution and unprecedented sensitivity. We measured, for the first time, the fundamental dependence of the elementary pinning force of multiple defects on the vortex displacement, revealing a far more complex behavior than has previously been recognized, including striking spring softening and broken-spring depinning, as well as spontaneous hysteretic switching between cellular vortex trajectories. Our results indicate the importance of thermal fluctuations even at 4.2 K and of the vital role of ripples in the pinning potential, giving new insights into the mechanisms of magnetic relaxation and electromagnetic response of superconductors.

Dynamics and relaxation of charge carriers in poly(methylmethacrylate)-lithium salt based polymer electrolytes plasticized with ethylene carbonate

NASA Astrophysics Data System (ADS)

Pal, P.; Ghosh, A.

2016-07-01

In this paper, we have studied the dynamics and relaxation of charge carriers in poly(methylmethacrylate)-lithium salt based polymer electrolytes plasticized with ethylene carbonate. Structural and thermal properties have been examined using X-ray diffraction and differential scanning calorimetry, respectively. We have analyzed the complex conductivity spectra by using power law model coupled with the contribution of electrode polarization at low frequencies and high temperatures. The temperature dependence of the ionic conductivity and crossover frequency exhibits Vogel-Tammann-Fulcher type behavior indicating a strong coupling between the ionic and the polymer chain segmental motions. The scaling of the ac conductivity indicates that relaxation dynamics of charge carriers follows a common mechanism for all temperatures and ethylene carbonate concentrations. The analysis of the ac conductivity also shows the existence of a nearly constant loss in these polymer electrolytes at low temperatures and high frequencies. The fraction of free anions and ion pairs in polymer electrolyte have been obtained from the analysis of Fourier transform infrared spectra. It is observed that these quantities influence the behavior of the composition dependence of the ionic conductivity.

Activity-induced clustering in model dumbbell swimmers: the role of hydrodynamic interactions.

PubMed

Furukawa, Akira; Marenduzzo, Davide; Cates, Michael E

2014-08-01

Using a fluid-particle dynamics approach, we numerically study the effects of hydrodynamic interactions on the collective dynamics of active suspensions within a simple model for bacterial motility: each microorganism is modeled as a stroke-averaged dumbbell swimmer with prescribed dipolar force pairs. Using both simulations and qualitative arguments, we show that, when the separation between swimmers is comparable to their size, the swimmers' motions are strongly affected by activity-induced hydrodynamic forces. To further understand these effects, we investigate semidilute suspensions of swimmers in the presence of thermal fluctuations. A direct comparison between simulations with and without hydrodynamic interactions shows these to enhance the dynamic clustering at a relatively small volume fraction; with our chosen model the key ingredient for this clustering behavior is hydrodynamic trapping of one swimmer by another, induced by the active forces. Furthermore, the density dependence of the motility (of both the translational and rotational motions) exhibits distinctly different behaviors with and without hydrodynamic interactions; we argue that this is linked to the clustering tendency. Our study illustrates the fact that hydrodynamic interactions not only affect kinetic pathways in active suspensions, but also cause major changes in their steady state properties.

Drop impact on liquid film: dynamics of interfacial gas layer

NASA Astrophysics Data System (ADS)

Tang, Xiaoyu; Saha, Abhishek; Law, Chung K.; Sun, Chao

2016-11-01

Drop impacting liquid film is commonly observed in many processes including inkjet printing and thermal sprays. Owing to the resistance from the interfacial gas layer trapped between the drop and film surface, impact may not always result in coalescence; and as such investigating the behavior of the interfacial gas layer is important to understand the transition between bouncing and merging outcomes. The gas layer is, however, not easily optically accessible due to its microscopic scale and curved interfaces. We report the measurement of this critical gas layer thickness between two liquid surfaces using high-speed color interferometry capable of measuring micron and submicron thicknesses. The complete gas layer dynamics for the bouncing cases can be divided into two stages: the approaching stage when the drop squeezes the gas layer at the beginning of the impact, and the rebounding stage when the drop retracts and rebounds from the liquid film. The approaching stage is found to be similar across wide range of conditions studied. However, for the rebounding stage, with increase of liquid film thickness, the evolution of gas layer changes dramatically, displaying a non-monotonic behavior. Such dynamics is analyzed in lights of various competing timescales.

Activity-induced clustering in model dumbbell swimmers: The role of hydrodynamic interactions

NASA Astrophysics Data System (ADS)

Furukawa, Akira; Marenduzzo, Davide; Cates, Michael E.

2014-08-01

Using a fluid-particle dynamics approach, we numerically study the effects of hydrodynamic interactions on the collective dynamics of active suspensions within a simple model for bacterial motility: each microorganism is modeled as a stroke-averaged dumbbell swimmer with prescribed dipolar force pairs. Using both simulations and qualitative arguments, we show that, when the separation between swimmers is comparable to their size, the swimmers' motions are strongly affected by activity-induced hydrodynamic forces. To further understand these effects, we investigate semidilute suspensions of swimmers in the presence of thermal fluctuations. A direct comparison between simulations with and without hydrodynamic interactions shows these to enhance the dynamic clustering at a relatively small volume fraction; with our chosen model the key ingredient for this clustering behavior is hydrodynamic trapping of one swimmer by another, induced by the active forces. Furthermore, the density dependence of the motility (of both the translational and rotational motions) exhibits distinctly different behaviors with and without hydrodynamic interactions; we argue that this is linked to the clustering tendency. Our study illustrates the fact that hydrodynamic interactions not only affect kinetic pathways in active suspensions, but also cause major changes in their steady state properties.

Transport coefficients of Lennard-Jones fluids: A molecular-dynamics and effective-hard-sphere treatment

NASA Astrophysics Data System (ADS)

Heyes, David M.

1988-04-01

This study evaluates the shear viscosity, self-diffusion coefficient, and thermal conductivity of the Lennard-Jones (LJ) fluid over essentially the entire fluid range by molecular-dynamics (MD) computer simulation. The Green-Kubo (GK) method is mainly used. In addition, for shear viscosity, homogeneous shear nonequilibrium MD (NEMD) is also employed and compared with experimental data on argon along isotherms. Reasonable agreement between GK, NEMD, and experiment is found. Hard-sphere MD modified Chapman-Enskog expressions for these transport coefficients are tested with use of a temperature-dependent effective hard-sphere diameter. Excellent agreement is found for shear viscosity. The thermal conductivity and, more so, self-diffusion coefficient is less successful in this respect. This behavior is attributed to the attractive part to the LJ potential and its soft repulsive core. Expressions for the constant-volume and -pressure activation energies for these transport coefficients are derived solely in terms of the thermodynamic properties of the LJ fluid. Also similar expressions for the activation volumes are given, which should have a wider range of applications than just for the LJ system.

Regional Management of an Aquifer for Mining Under Fuzzy Environmental Objectives

NASA Astrophysics Data System (ADS)

BogáRdi, IstváN.; BáRdossy, AndráS.; Duckstein, Lucien

1983-12-01

A methodology is developed for the dynamic multiobjective management of a multipurpose regional aquifer. In a case study of bauxite mining in Western Hungary, ore deposits are often under the piezometric level of a karstic aquifer, while this same aquifer also provides recharge flows for thermal springs. N + 1 objectives are to be minimized, the first one being total discounted cost of control by dewatering or grouting; the other N objectives consist of the flow of thermal springs at N control points. However, there is no agreement among experts as to a set of numerical values that would constitute a "sound environment"; for this reason a fuzzy set analysis is used, and the N environmental objectives are combined into a single fuzzy membership function. The constraints include ore availability, various capacities, and the state transition function that describes the behavior of both piezometric head and underground flow. The model is linearized and solved as a biobjective dynamic program by using multiobjective compromise programming. A numerical example with N = 2 appears to lead to realistic control policies. Extension of the model to the nonlinear case is discussed.

Gravity-induced dynamics of a squirmer microswimmer in wall proximity

NASA Astrophysics Data System (ADS)

Rühle, Felix; Blaschke, Johannes; Kuhr, Jan-Timm; Stark, Holger

2018-02-01

We perform hydrodynamic simulations using the method of multi-particle collision dynamics and a theoretical analysis to study a single squirmer microswimmer at high Péclet number, which moves in a low Reynolds number fluid and under gravity. The relevant parameters are the ratio α of swimming to bulk sedimentation velocity and the squirmer type β. The combination of self-propulsion, gravitational force, hydrodynamic interactions with the wall, and thermal noise leads to a surprisingly diverse behavior. At α > 1 we observe cruising states, while for α < 1 the squirmer resides close to the bottom wall with the motional state determined by stable fixed points in height and orientation. They strongly depend on the squirmer type β. While neutral squirmers permanently float above the wall with upright orientation, pullers float for α larger than a threshold value {α }th} and are pinned to the wall below {α }th}. In contrast, pushers slide along the wall at lower heights, from which thermal orientational fluctuations drive them into a recurrent floating state with upright orientation, where they remain on the timescale of orientational persistence.

Two-level system in spin baths: Non-adiabatic dynamics and heat transport

NASA Astrophysics Data System (ADS)

Segal, Dvira

2014-04-01

We study the non-adiabatic dynamics of a two-state subsystem in a bath of independent spins using the non-interacting blip approximation, and derive an exact analytic expression for the relevant memory kernel. We show that in the thermodynamic limit, when the subsystem-bath coupling is diluted (uniformly) over many (infinite) degrees of freedom, our expression reduces to known results, corresponding to the harmonic bath with an effective, temperature-dependent, spectral density function. We then proceed and study the heat current characteristics in the out-of-equilibrium spin-spin-bath model, with a two-state subsystem bridging two thermal spin-baths of different temperatures. We compare the behavior of this model to the case of a spin connecting boson baths, and demonstrate pronounced qualitative differences between the two models. Specifically, we focus on the development of the thermal diode effect, and show that the spin-spin-bath model cannot support it at weak (subsystem-bath) coupling, while in the intermediate-strong coupling regime its rectifying performance outplays the spin-boson model.

Study on performances of colorless and transparent shape memory polyimide film in space thermal cycling, atomic oxygen and ultraviolet irradiation environments

NASA Astrophysics Data System (ADS)

Gao, Hui; Lan, Xin; Liu, Liwu; Xiao, Xinli; Liu, Yanju; Leng, Jinsong

2017-09-01

Shape memory polymers with high glass transition temperature (HSMPs) and HSMP-based deployable structures and devices, which can bear harsh operation conditions for durable applications, have attracted more and more interest in recent years. In this article, colorless and transparent shape memory polyimide (SMCTPI) films were subjected to simulated vacuum thermal cycling, atomic oxygen (AO) and ultraviolet (UV) irradiation environments up to 600 h, 556 h and 600 h for accelerated irradiation. The glass transition temperature (Tg) determined by differential scanning calorimetry (DSC) and dynamic mechanical analysis (DMA) had no obvious changes after being irradiated by varying amounts of thermal cycling, AO and UV irradiation dose. After being irradiated by 50 thermal cycles, 10 × 1021 atoms cm-2 AO irradiation and 3000 ESH UV irradiation, shape recovery behaviors of SMCTPI films also had no obvious damage even if they experienced 30 shape memory cycles, while the surface morphologies and optical properties were seriously destroyed by AO irradiation, as compared with thermal cycling and UV irradiation. The tensile strength could separately maintain 122 MPa, 120 MPa and 70 MPa after 50 thermal cycles, 10 × 1021 atoms cm-2 AO irradiation and 3000 ESH UV irradiation, which shows great potential for use in aerospace structures and devices.

MRI-based three-dimensional thermal physiological characterization of thyroid gland of human body.

PubMed

Jin, Chao; He, Zhi Zhu; Yang, Yang; Liu, Jing

2014-01-01

This article is dedicated to present a MRI (magnetic resonance imaging) based three-dimensional finite element modeling on the thermal manifestations relating to the pathophysiology of thyroid gland. An efficient approach for identifying the metabolic dysfunctions of thyroid has also been demonstrated through tracking the localized non-uniform thermal distribution or enhanced dynamic imaging. The temperature features over the skin surface and thyroid domain have been characterized using the numerical simulation and experimental measurement which will help better interpret the thermal physiological mechanisms of the thyroid under steady-state or water-cooling condition. Further, parametric simulations on the hypermetabolism symptoms of hyperthyroidism and thermal effects within thyroid domain caused by varying breathing airflow in the trachea and blood-flow in artery and vein were performed. It was disclosed that among all the parameters, the airflow volume has the largest effect on the total heat flux of thyroid surface. However, thermal contributions caused by varying the breathing frequency and blood-flow velocity are negligibly small. The present study suggests a generalized way for simulating the close to reality physiological behavior or process of human thyroid, which is of significance for disease diagnosis and treatment planning. Copyright © 2013 IPEM. Published by Elsevier Ltd. All rights reserved.

Electronic and thermal transport study of sinusoidally corrugated nanowires aiming to improve thermoelectric efficiency.

PubMed

Park, K H; Martin, P N; Ravaioli, U

2016-01-22

Improvement of thermoelectric efficiency has been very challenging in the solid-state industry due to the interplay among transport coefficients which measure the efficiency. In this work, we modulate the geometry of nanowires to interrupt thermal transport with causing only a minimal impact on electronic transport properties, thereby maximizing the thermoelectric power generation. As it is essential to scrutinize comprehensively both electronic and thermal transport behaviors for nano-scale thermoelectric devices, we investigate the Seebeck coefficient, the electrical conductance, and the thermal conductivity of sinusoidally corrugated silicon nanowires and eventually look into an enhancement of the thermoelectric figure-of-merit [Formula: see text] from the modulated nanowires over typical straight nanowires. A loss in the electronic transport coefficient is calculated with the recursive Green function along with the Landauer formalism, and the thermal transport is simulated with the molecular dynamics. In contrast to a small influence on the thermopower and the electrical conductance of the geometry-modulated nanowires, a large reduction of the thermal conductivity yields an enhancement of the efficiency by 10% to 35% from the typical nanowires. We find that this approach can be easily extended to various structures and materials as we consider the geometrical modulation as a sole source of perturbation to the system.

Towards a predictive thermal explosion model for energetic materials

NASA Astrophysics Data System (ADS)

Yoh, Jack J.; McClelland, Matthew A.; Maienschein, Jon L.; Wardell, Jeffrey F.

2005-01-01

We present an overview of models and computational strategies for simulating the thermal response of high explosives using a multi-physics hydrodynamics code, ALE3D. Recent improvements to the code have aided our computational capability in modeling the behavior of energetic materials systems exposed to strong thermal environments such as fires. We apply these models and computational techniques to a thermal explosion experiment involving the slow heating of a confined explosive. The model includes the transition from slow heating to rapid deflagration in which the time scale decreases from days to hundreds of microseconds. Thermal, mechanical, and chemical effects are modeled during all phases of this process. The heating stage involves thermal expansion and decomposition according to an Arrhenius kinetics model while a pressure-dependent burn model is employed during the explosive phase. We describe and demonstrate the numerical strategies employed to make the transition from slow to fast dynamics. In addition, we investigate the sensitivity of wall expansion rates to numerical strategies and parameters. Results from a one-dimensional model show that violence is influenced by the presence of a gap between the explosive and container. In addition, a comparison is made between 2D model and measured results for the explosion temperature and tube wall expansion profiles.

Anderson localized state as a predissipative state: irreversible emission of thermalized quanta from a dynamically delocalized state.

PubMed

Yamada, Hiroaki; Ikeda, Kensuke S

2002-04-01

It was shown that localization in one-dimensional disordered (quantum) electronic system is destroyed against coherent harmonic perturbations and the delocalized electron exhibits an unlimited diffusive motion [Yamada and Ikeda, Phys. Rev. E 59, 5214 (1999)]. The appearance of diffusion implies that the system has potential for irreversibility and dissipation. In the present paper, we investigate dissipative property of the dynamically delocalized state, and we show that an irreversible quasistationary energy flow indeed appears in the form of a "heat" flow when we couple the system with another dynamical degree of freedom. In the concrete we numerically investigate dissipative properties of a one-dimensional tight-binding electronic system perturbed by time-dependent harmonic forces, by coupling it with a quantum harmonic oscillator or a quantum anharmonic oscillator. It is demonstrated that if the on-site potential is spatially irregular an irreversible energy transfer from the scattered electron to the test oscillator occurs. Moreover, the test oscillator promptly approaches a thermalized state characterized by a well-defined time-dependent temperature. On the contrary, such a relaxation process cannot be observed at all for periodic potential systems. Our system is one of the minimal quantum systems in which a distinct nonequilibrium statistical behavior is self-induced.

Dynamics, Control, and Fabrication of Micro Embedded Heaters and Sensors for Micro SMA Active Endoscopes

NASA Astrophysics Data System (ADS)

Aphanuphong, Sutha

This research investigates design and control of an active catheter for minimally invasive medical procedures. Microfabrication techniques are developed and several prototypes were constructed. The understanding and analysis results from each design iteration are utilized to improve the overall design and the performance of each revision. An innovative co-fabrication method is explored to simplify the fabrication process and also improve the quality, repeatability, and reliability of the active catheter. This co-fabrication method enables a unique compact integrated heater and sensor film to be directly constructed on a shape memory alloy (SMA) sheet and to be utilized as an outline mask to pattern a micro SMA actuator. There are two functions integrated in the sensor film: heat sources to actuate the micro SMA actuator and sensors to provide temperature and strain of the active catheter to closed-loop control algorithms. Three main aspects are explored in this dissertation: thermal dynamics in the MicroFlex (muF) film and its effect on the sensor capabilities; non-minimum phase behavior and its effect on control performance, and film micro fabrication design and its effect on thermal dynamics. The sensor film developed from this understanding is able to deliver excellent heating and sensing performance with a simple design.

Thermally induced all-optical inverter and dynamic hysteresis loops in graphene oxide dispersions.

PubMed

Melle, Sonia; Calderón, Oscar G; Egatz-Gómez, Ana; Cabrera-Granado, E; Carreño, F; Antón, M A

2015-11-01

We experimentally study the temporal dynamics of amplitude-modulated laser beams propagating through a water dispersion of graphene oxide sheets in a fiber-to-fiber U-bench. Nonlinear refraction induced in the sample by thermal effects leads to both phase reversing of the transmitted signals and dynamic hysteresis in the input-output power curves. A theoretical model including beam propagation and thermal lensing dynamics reproduces the experimental findings.

Dynamical thermal effects in InGaAsP microtubes at telecom wavelengths.

PubMed

Tian, Zhaobing; Bianucci, Pablo; Roche, Philip J R; Dastjerdi, M Hadi Tavakoli; Mi, Zetian; Poole, Philip J; Kirk, Andrew G; Plant, David V

2012-07-01

We report on the observation of a dynamical thermal effect in InGaAsP microtubes at telecom wavelengths. The microtubes are fabricated by releasing a strained semiconductor bilayer and are picked up by abruptly tapered optical fibers for subsequent coupling with adiabatically tapered optical fibers. As a result of absorption by InAs quantum dots embedded in the tube structure, these microtubes show dynamical thermal effects at wavelengths around 1525 nm and 1578 nm, while they are passive at longer wavelengths near 1634 nm. The photon absorption induced thermal effect is visualized by generating a pair of microbottles. The dynamical thermal effect can be avoided or exploited for passive or active applications by utilizing appropriate resonance wavelengths.

Molecular level assessment of thermal transport and thermoelectricity in materials: From bulk alloys to nanostructures

NASA Astrophysics Data System (ADS)

Kinaci, Alper

The ability to manipulate material response to dynamical processes depends on the extent of understanding of transport properties and their variation with chemical and structural features in materials. In this perspective, current work focuses on the thermal and electronic transport behavior of technologically important bulk and nanomaterials. Strontium titanate is a potential thermoelectric material due to its large Seebeck coefficient. Here, first principles electronic band structure and Boltzmann transport calculations are employed in studying the thermoelectric properties of this material in doped and deformed states. The calculations verified that excessive carrier concentrations are needed for this material to be used in thermoelectric applications. Carbon- and boron nitride-based nanomaterials also offer new opportunities in many applications from thermoelectrics to fast heat removers. For these materials, molecular dynamics calculations are used to evaluate lattice thermal transport. To do this, first, an energy moment term is reformulated for periodic boundary conditions and tested to calculate thermal conductivity from Einstein relation in various systems. The influences of the structural details (size, dimensionality) and defects (vacancies, Stone-Wales defects, edge roughness, isotopic disorder) on the thermal conductivity of C and BN nanostructures are explored. It is observed that single vacancies scatter phonons stronger than other type of defects due to unsatisfied bonds in their structure. In pristine states, BN nanostructures have 4-6 times lower thermal conductivity compared to C counterparts. The reason of this observation is investigated on the basis of phonon group velocities, life times and heat capacities. The calculations show that both phonon group velocities and life times are smaller in BN systems. Quantum corrections are also discussed for these classical simulations. The chemical and structural diversity that could be attained by mixing hexagonal boron nitride and graphene provide further avenues for tuning thermal and electronic properties. In this work, the thermal conductivity of hybrid graphene/hexagonal-BN structures: stripe superlattices and BN (graphene) dots embedded in graphene (BN) are studied. The largest reduction in thermal conductivity is observed at 50% chemical mixture in dot superlattices. The dot radius appears to have little effect on the magnitude of reduction around large concentrations while smaller dots are more influential at dilute systems.

Thermal and colloidal behavior of amine-treated clays: the role of amphiphilic organic cation concentration.

PubMed

Marras, S I; Tsimpliaraki, A; Zuburtikudis, I; Panayiotou, C

2007-11-15

The modification of sodium montmorillonite (NaMMT) through the insertion of amphiphilic hexadecylammonium cations into the clay's interlayer spaces has been studied. Alkylammonium concentrations equivalent to 0.15-3.00 times the cation exchange capacity of the clay were used. The conformation of the surfactant cations in the confined space of the silicate galleries was investigated by X-ray diffraction analysis and scanning electron microscopy, while the organoclay's thermal stability was examined by thermogravimetric analysis. The clay's surface properties induced by the ion-exchange process were followed by measurements of the mineral's zeta potential as a function of pH and surfactant concentration, while the coagulation rates of organoclay suspensions in water and in chloroform were examined using dynamic light scattering. All the results are consistent with showing that the overall characteristics and thus the behavior of the modified MMT particles strongly depend on the alkylammonium surfactant concentration used in the modification process. This, however, has very important implications for any attempt to incorporate the organomodified MMT particles into different media for various applications such as polymer nanocomposite preparation.

Multiple thermal transitions and anisotropic thermal expansions of vertically aligned carbon nanotubes

NASA Astrophysics Data System (ADS)

Ya'akobovitz, Assaf

2016-10-01

Vertically aligned carbon nanotubes (VA-CNTs) hold the potential to play an instrumental role in a wide variety of applications in micro- and nano-devices and composites. However, their successful large-scale implementation in engineering systems requires a thorough understanding of their material properties, including their thermal behavior, which was the focus of the current study. Thus, the thermal expansion of as-grown VA-CNT microstructures was investigated while increasing the temperature from room temperature to 800 °C and then cooling it down. First thermal transition was observed at 191 ± 68 °C during heating, and an additional thermal transition was observed at 523 ± 138 °C during heating and at similar temperatures during cooling. Each thermal transition was characterized by a significant change in the coefficient of thermal expansion (CTE), which can be related to a morphological change in the VA-CNT microstructures. Measurements of the CTEs in the lateral directions revealed differences in the lateral thermal behaviors of the top, middle, and bottom portions of the VA-CNT microstructures, again indicating that their morphology dominates their thermal characteristics. A hysteretic behavior was observed, as the measured values of CTEs were altered due to the applied thermal loads and the height of the microstructures was slightly higher compared to its initial value. These findings provide an insight into the anisotropic thermal behavior of VA-CNT microstructures and shed light on the relationship between their morphology and thermal behavior.

Improving the thermal stability of cellobiohydrolase Cel7A from Hypocrea jecorina by directed evolution.

PubMed

Goedegebuur, Frits; Dankmeyer, Lydia; Gualfetti, Peter; Karkehabadi, Saeid; Hansson, Henrik; Jana, Suvamay; Huynh, Vicky; Kelemen, Bradley R; Kruithof, Paulien; Larenas, Edmund A; Teunissen, Pauline J M; Ståhlberg, Jerry; Payne, Christina M; Mitchinson, Colin; Sandgren, Mats

2017-10-20

Secreted mixtures of Hypocrea jecorina cellulases are able to efficiently degrade cellulosic biomass to fermentable sugars at large, commercially relevant scales. H. jecorina Cel7A, cellobiohydrolase I, from glycoside hydrolase family 7, is the workhorse enzyme of the process. However, the thermal stability of Cel7A limits its use to processes where temperatures are no higher than 50 °C. Enhanced thermal stability is desirable to enable the use of higher processing temperatures and to improve the economic feasibility of industrial biomass conversion. Here, we enhanced the thermal stability of Cel7A through directed evolution. Sites with increased thermal stability properties were combined, and a Cel7A variant (FCA398) was obtained, which exhibited a 10.4 °C increase in T m and a 44-fold greater half-life compared with the wild-type enzyme. This Cel7A variant contains 18 mutated sites and is active under application conditions up to at least 75 °C. The X-ray crystal structure of the catalytic domain was determined at 2.1 Å resolution and showed that the effects of the mutations are local and do not introduce major backbone conformational changes. Molecular dynamics simulations revealed that the catalytic domain of wild-type Cel7A and the FCA398 variant exhibit similar behavior at 300 K, whereas at elevated temperature (475 and 525 K), the FCA398 variant fluctuates less and maintains more native contacts over time. Combining the structural and dynamic investigations, rationales were developed for the stabilizing effect at many of the mutated sites. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Model predictive control of a solar-thermal reactor

NASA Astrophysics Data System (ADS)

Saade Saade, Maria Elizabeth

Solar-thermal reactors represent a promising alternative to fossil fuels because they can harvest solar energy and transform it into storable and transportable fuels. The operation of solar-thermal reactors is restricted by the available sunlight and its inherently transient behavior, which affects the performance of the reactors and limits their efficiency. Before solar-thermal reactors can become commercially viable, they need to be able to maintain a continuous high-performance operation, even in the presence of passing clouds. A well-designed control system can preserve product quality and maintain stable product compositions, resulting in a more efficient and cost-effective operation, which can ultimately lead to scale-up and commercialization of solar thermochemical technologies. In this work, we propose a model predictive control (MPC) system for a solar-thermal reactor for the steam-gasification of biomass. The proposed controller aims at rejecting the disturbances in solar irradiation caused by the presence of clouds. A first-principles dynamic model of the process was developed. The model was used to study the dynamic responses of the process variables and to identify a linear time-invariant model used in the MPC algorithm. To provide an estimation of the disturbances for the control algorithm, a one-minute-ahead direct normal irradiance (DNI) predictor was developed. The proposed predictor utilizes information obtained through the analysis of sky images, in combination with current atmospheric measurements, to produce the DNI forecast. In the end, a robust controller was designed capable of rejecting disturbances within the operating region. Extensive simulation experiments showed that the controller outperforms a finely-tuned multi-loop feedback control strategy. The results obtained suggest that our controller is suitable for practical implementation.

Design and Construction of Experiment for Direct Electron Irradiation of Uranyl Sulfate Solution: Bubble Formation and Thermal Hydraulics Studies

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

Chemerisov, Sergey; Gromov, Roman; Makarashvili, Vakho

Argonne is assisting SHINE Medical Technologies in developing SHINE, a system for producing fission-product 99Mo using a D/T-accelerator to produce fission in a non-critical target solution of aqueous uranyl sulfate. We have developed an experimental setup for studying thermal-hydraulics and bubble formation in the uranyl sulfate solution to simulate conditions expected in the SHINE target solution during irradiation. A direct electron beam from the linac accelerator will be used to irradiate a 20 L solution (sector of the solution vessel). Because the solution will undergo radiolytic decomposition, we will be able to study bubble formation and dynamics and effects ofmore » convection and temperature on bubble behavior. These experiments will serve as a verification/ validation tool for the thermal-hydraulic model. Utilization of the direct electron beam for irradiation allows homogeneous heating of a large solution volume and simplifies observation of the bubble dynamics simultaneously with thermal-hydraulic data collection, which will complement data collected during operation of the miniSHINE experiment. Irradiation will be conducted using a 30-40 MeV electron beam from the high-power linac accelerator. The total electron-beam power will be 20 kW, which will yield a power density on the order of 1 kW/L. The solution volume will be cooled on the front and back surfaces and central tube to mimic the geometry of the proposed SHINE solution vessel. Also, multiple thermocouples will be inserted into the solution vessel to map thermal profiles. The experimental design is now complete, and installation and testing are in progress.« less

An assessment of the liquid-gas partitioning behavior of major wastewater odorants using two comparative experimental approaches: liquid sample-based vaporization vs. impinger-based dynamic headspace extraction into sorbent tubes.

PubMed

Iqbal, Mohammad Asif; Kim, Ki-Hyun; Szulejko, Jan E; Cho, Jinwoo

2014-01-01

The gas-liquid partitioning behavior of major odorants (acetic acid, propionic acid, isobutyric acid, n-butyric acid, i-valeric acid, n-valeric acid, hexanoic acid, phenol, p-cresol, indole, skatole, and toluene (as a reference)) commonly found in microbially digested wastewaters was investigated by two experimental approaches. Firstly, a simple vaporization method was applied to measure the target odorants dissolved in liquid samples with the aid of sorbent tube/thermal desorption/gas chromatography/mass spectrometry. As an alternative method, an impinger-based dynamic headspace sampling method was also explored to measure the partitioning of target odorants between the gas and liquid phases with the same detection system. The relative extraction efficiency (in percent) of the odorants by dynamic headspace sampling was estimated against the calibration results derived by the vaporization method. Finally, the concentrations of the major odorants in real digested wastewater samples were also analyzed using both analytical approaches. Through a parallel application of the two experimental methods, we intended to develop an experimental approach to be able to assess the liquid-to-gas phase partitioning behavior of major odorants in a complex wastewater system. The relative sensitivity of the two methods expressed in terms of response factor ratios (RFvap/RFimp) of liquid standard calibration between vaporization and impinger-based calibrations varied widely from 981 (skatole) to 6,022 (acetic acid). Comparison of this relative sensitivity thus highlights the rather low extraction efficiency of the highly soluble and more acidic odorants from wastewater samples in dynamic headspace sampling.

In-Flight Aeroelastic Stability of the Thermal Protection System on the NASA HIAD, Part II: Nonlinear Theory and Extended Aerodynamics

NASA Technical Reports Server (NTRS)

Goldman, Benjamin D.; Dowell, Earl H.; Scott, Robert C.

2015-01-01

Conical shell theory and a supersonic potential flow aerodynamic theory are used to study the nonlinear pressure buckling and aeroelastic limit cycle behavior of the thermal protection system for NASA's Hypersonic Inflatable Aerodynamic Decelerator. The structural model of the thermal protection system consists of an orthotropic conical shell of the Donnell type, resting on several circumferential elastic supports. Classical Piston Theory is used initially for the aerodynamic pressure, but was found to be insufficient at low supersonic Mach numbers. Transform methods are applied to the convected wave equation for potential flow, and a time-dependent aerodynamic pressure correction factor is obtained. The Lagrangian of the shell system is formulated in terms of the generalized coordinates for all displacements and the Rayleigh-Ritz method is used to derive the governing differential-algebraic equations of motion. Aeroelastic limit cycle oscillations and buckling deformations are calculated in the time domain using a Runge-Kutta method in MATLAB. Three conical shell geometries were considered in the present analysis: a 3-meter diameter 70 deg. cone, a 3.7-meter 70 deg. cone, and a 6-meter diameter 70 deg. cone. The 6-meter configuration was loaded statically and the results were compared with an experimental load test of a 6-meter HIAD. Though agreement between theoretical and experimental strains was poor, the circumferential wrinkling phenomena observed during the experiments was captured by the theory and axial deformations were qualitatively similar in shape. With Piston Theory aerodynamics, the nonlinear flutter dynamic pressures of the 3-meter configuration were in agreement with the values calculated using linear theory, and the limit cycle amplitudes were generally on the order of the shell thickness. The effect of axial tension was studied for this configuration, and increasing tension was found to decrease the limit cycle amplitudes when the circumferential elastic supports were neglected, but resulted in more complex behavior when the supports were included. The nominal flutter dynamic pressure of the 3.7-meter configuration was significantly lower than that of the 3-meter, and it was found that two sets of natural modes coalesce to flutter modes near the same dynamic pressure. This resulted in a significant drop in the limit cycle frequencies at higher dynamic pressures, where the flutter mode with the lower frequency becomes more critical. Pre-buckling pressure loads and the aerodynamic pressure correction factor were studied for all geometries, and these effects resulted in significantly lower flutter boundaries compared with Piston Theory alone. The maximum dynamic pressure predicted by aerodynamic simulations of a proposed 3.7-meter HIAD vehicle was still lower than any of the calculated flutter dynamic pressures, suggesting that aeroelastic effects for this vehicle are of little concern.

Thermal behavior of extracted and delignified pine wood flour

Treesearch

Yao Chen; Mandla A. Tshabalala; Jianmin Gao; Nicole M. Stark; Yongming Fan; Rebecca E. Ibach

2014-01-01

To investigate the effect of extractives and lignin on the thermal stability of wood flour (WF), thermogravimetric analysis was used to determine thermal degradation behavior of extracted and delignified mixed pine WF. The contribution of lignin to thermal stability was greater than that of extractives. Removing extractives resulted in improved thermal stability by...

Manipulation of Magnetic Textures in Thin Films and Devices

NASA Astrophysics Data System (ADS)

Tolley, Robert Douglas

Control and manipulation of magnetic textures is promising for the development of next-generation data storage, memory and processing technologies. Towards this goal, domain wall manipulation in two materials systems are presented here and thoroughly evaluated. Domain walls in ferrimagnetic Cobalt-Terbium alloys and multilayers are created, moved and stabilized via thermal gradients and a static magnetic field and exploit the unique properties of the system across the magnetic compensation point. The response of the systems to thermal gradients is observed via Kerr microscopy and used to determine the positioning of domain walls within patterned devices. Magnetic skyrmions are discovered in thin-film multilayered stacks using an Pt/Co/Os/Pt heterostructures where the thin Osmium layer is used to break interfacial symmetry and enhance the Dzyaloshinskii-Moriya interaction. The resulting skyrmions are manipulated using temperature, magnetic field, and electric current, and special attention is paid to their motion and nucleation behavior. Skyrmions are observed to be formed by low applied currents from nucleation sites and by collapse of stripe textures. Patterned wires allow for the observation of skyrmion nucleation behavior in free space, as well as defect sites, and real-time Kerr microscopy imaging is presented of skyrmion and stripe dynamics. These systems are evaluated from a perspective of their growth, patterning, measurement, and the novel behavior of the magnetic textures.

Nonmonotonic Aging and Memory in a Frictional Interface

NASA Astrophysics Data System (ADS)

Dillavou, Sam; Rubinstein, Shmuel M.

2018-06-01

We measure the static frictional resistance and the real area of contact between two solid blocks subjected to a normal load. We show that following a two-step change in the normal load the system exhibits nonmonotonic aging and memory effects, two hallmarks of glassy dynamics. These dynamics are strongly influenced by the discrete geometry of the frictional interface, characterized by the attachment and detachment of unique microcontacts. The results are in good agreement with a theoretical model we propose that incorporates this geometry into the framework recently used to describe Kovacs-like relaxation in glasses as well as thermal disordered systems. These results indicate that a frictional interface is a glassy system and strengthen the notion that nonmonotonic relaxation behavior is generic in such systems.

Quasiparticle explanation of the weak-thermalization regime under quench in a nonintegrable quantum spin chain

NASA Astrophysics Data System (ADS)

Lin, Cheng-Ju; Motrunich, Olexei I.

2017-02-01

The eigenstate thermalization hypothesis provides one picture of thermalization in a quantum system by looking at individual eigenstates. However, it is also important to consider how local observables reach equilibrium values dynamically. Quench protocol is one of the settings to study such questions. A recent numerical study [Bañuls, Cirac, and Hastings, Phys. Rev. Lett. 106, 050405 (2007), 10.1103/PhysRevLett.106.050405] of a nonintegrable quantum Ising model with longitudinal field under such a quench setting found different behaviors for different initial quantum states. One particular case called the "weak-thermalization" regime showed apparently persistent oscillations of some observables. Here we provide an explanation of such oscillations. We note that the corresponding initial state has low energy density relative to the ground state of the model. We then use perturbation theory near the ground state and identify the oscillation frequency as essentially a quasiparticle gap. With this quasiparticle picture, we can then address the long-time behavior of the oscillations. Upon making additional approximations which intuitively should only make thermalization weaker, we argue that the oscillations nevertheless decay in the long-time limit. As part of our arguments, we also consider a quench from a BEC to a hard-core boson model in one dimension. We find that the expectation value of a single-boson creation operator oscillates but decays exponentially in time, while a pair-boson creation operator has oscillations with a t-3 /2 decay in time. We also study dependence of the decay time on the density of bosons in the low-density regime and use this to estimate decay time for oscillations in the original spin model.

An analogue study of the influence of solidification on the advance and surface thermal signature of lava flows

NASA Astrophysics Data System (ADS)

Garel, F.; Kaminski, E.; Tait, S.; Limare, A.

2014-06-01

The prediction of lava flow advance and velocity is crucial during an effusive volcanic crisis. The effusion rate is a key control of lava dynamics, and proxies have been developed to estimate it in near real-time. The thermal proxy in predominant use links the satellite-measured thermal radiated power to the effusion rate. It lacks however a robust physical basis to allow time-dependent modeling. We investigate here through analogue experiments the coupling between the spreading of a solidifying flow and its surface thermal signal. We extract a first order behavior from experimental results obtained using polyethylene glycol (PEG) wax, that solidifies abruptly during cooling. We find that the flow advance is discontinuous, with relatively low supply rates yielding long stagnation phases and compound flows. Flows with higher supply rates are less sensitive to solidification and display a spreading behavior closer to that of purely viscous currents. The total power radiated from the upper surface also grows by stages, but the signal radiated by the hottest and liquid part of the flow reaches a quasi-steady state after some time. This plateau value scales around half of the theoretical prediction of a model developed previously for the spreading and cooling of isoviscous gravity currents. The corrected scaling yields satisfying estimates of the effusion rate from the total radiated power measured on a range of basaltic lava flows. We conclude that a gross estimate of the supply rate of solidifying flows can be retrieved from thermal remote-sensing, but the predictions of lava advance as a function of effusion rate appears a more difficult task due to chaotic emplacement of solidifying flows.

The Spectral Signatures Of BH Versus NS Sources

NASA Astrophysics Data System (ADS)

Seifina, E.; Titarchuk, L.

2011-09-01

We present a comparative analysis of spectral properties of Black Hole (BH) and Neutron Star (NS) X-ray binaries during transition events observed with BeppoSAX and RXTE satellites. In particular, we investigated the behavior of Comptonized component of X-ray spectra when object evolves from the low to high spectral states. The basic models to fit X-ray spectra of these objects are upscattering models (so called BMC and COMPTB models) which are the first principal models. These models taking into account both dynamical and thermal Comptonization and allow to study separate contributions of thermal component and Comptonization component (bulk and thermal effect of Comptonization processes). Specifically, we tested quite a few observations of BHs (GRS 1915+105 and SS 433) and NSs (4U 1728-34 and GX 3+1) applying BMC and COMPTB models. In this way it was found a crucial difference in behavior of photon index vs mass accretion rate (mdot) for BHs and NSs. Namely, we revealed the stability of the photon index around typical value of Gamma=2 versus mdot (or electron temperature) during spectral evolution of NS sources. This stability effect was previously suggested for a number of other neutron binaries (see Farinelli and Titarchuk, 2011). This intrinsic property of NS is fundamentally different from that in BH binary sources for which the index demonstrates monotonic growth with mass accretion rate followed by its saturation at high values of mdot. These index-mass accretion rate behavior during X-ray spectral transition events can be considered as signatures, which allow to differ NS from BH.

Space Suit Thermal Dynamics

NASA Technical Reports Server (NTRS)

Campbell, Anthony B.; Nair, Satish S.; Miles, John B.; Iovine, John V.; Lin, Chin H.

1998-01-01

The present NASA space suit (the Shuttle EMU) is a self-contained environmental control system, providing life support, environmental protection, earth-like mobility, and communications. This study considers the thermal dynamics of the space suit as they relate to astronaut thermal comfort control. A detailed dynamic lumped capacitance thermal model of the present space suit is used to analyze the thermal dynamics of the suit with observations verified using experimental and flight data. Prior to using the model to define performance characteristics and limitations for the space suit, the model is first evaluated and improved. This evaluation includes determining the effect of various model parameters on model performance and quantifying various temperature prediction errors in terms of heat transfer and heat storage. The observations from this study are being utilized in two future design efforts, automatic thermal comfort control design for the present space suit and design of future space suit systems for Space Station, Lunar, and Martian missions.

Thermal shock induced dynamics of a spacecraft with a flexible deploying boom

NASA Astrophysics Data System (ADS)

Shen, Zhenxing; Li, Huijian; Liu, Xiaoning; Hu, Gengkai

2017-12-01

The dynamics in the process of deployment of a flexible extendible boom as a deployable structure on the spacecraft is studied. For determining the thermally induced vibrations of the boom subjected to an incident solar heat flux, an axially moving thermal-dynamic beam element based on the absolute nodal coordinate formulation which is able to precisely describe the large displacement, rotation and deformation of flexible body is presented. For the elastic forces formulation of variable-length beam element, the enhanced continuum mechanics approach is adopted, which can eliminate the Poisson locking effect, and take into account the tension-bending-torsion coupling deformations. The main body of the spacecraft, modeled as a rigid body, is described using the natural coordinates method. In the derived nonlinear thermal-dynamic equations of rigid-flexible multibody system, the mass matrix is time-variant, and a pseudo damping matrix which is without actual energy dissipation, and a heat conduction matrix which is relative to the moving speed and the number of beam element are arisen. Numerical results give the dynamic and thermal responses of the nonrotating and spinning spacecraft, respectively, and show that thermal shock has a significant influence on the dynamics of spacecraft.

Applicability of Quantum Thermal Baths to Complex Many-Body Systems with Various Degrees of Anharmonicity.

PubMed

Hernández-Rojas, Javier; Calvo, Florent; Noya, Eva Gonzalez

2015-03-10

The semiclassical method of quantum thermal baths by colored noise thermostats has been used to simulate various atomic systems in the molecular and bulk limits, at finite temperature and in moderately to strongly anharmonic regimes. In all cases, the method performs relatively well against alternative approaches in predicting correct energetic properties, including in the presence of phase changes, provided that vibrational delocalization is not too strong-neon appearing already as an upper limiting case. In contrast, the dynamical behavior inferred from global indicators such as the root-mean-square bond length fluctuation index or the vibrational spectrum reveals more marked differences caused by zero-point energy leakage, except in the case of isolated molecules with well separated vibrational modes. To correct for such deficiencies and reduce the undesired transfer among modes, empirical modifications of the noise power spectral density were attempted to better describe thermal equilibrium but still failed when used as semiclassical preparation for microcanonical trajectories.

Structural Design and Analysis of a Light-Weight Laminated Composite Heat Sink for Spaceflight PWBs

NASA Technical Reports Server (NTRS)

Fan, Mark S.; Niemeyer, W. Lee

1997-01-01

In order to reduce the overall weight in spaceborne electronic systems, a conventional metallic heat sink typically used for double-sided printed wiring boards was suggested to be replaced by light-weight and high-strength laminated composite materials. Through technology validation assurance (TVA) approach, it has been successfully demonstrated that using laminated composite heat sink can not only reduce the weight of the heat sink by nearly 50%, but also significantly lower the internal thermally-induced stresses that are largely responsible for potential delamination under cyclic temperature variations. With composite heat sink, both thermal and dynamic performance of the double-sided printed wiring board (PWB) exceeds that of its counterpart with metallic heat sink. Also included in this work is the original contribution to the understanding of creep behavior of the worst-case leadless chip carrier (LCC) surface mount solder joint. This was identified as the interconnection most susceptible to thermal fatigue damage in the PWB assembly.

Structure of the middle atmosphere of Venus and future observation with PFS on Venus Express.

NASA Astrophysics Data System (ADS)

Zasova, L. V.; Formisano, V.; Moroz, V. I.; Ignatiev, N. I.; Khatountsev, I. A.

Investigation of the middle atmosphere of Venus (55 -- 100 km) will allow to advance our knowledge about the most puzzling phenomena of the Venus dynamics -- its superrotation. More than 70% of all absorbed by Venus Solar energy is deposited there, results in the thermal tides generation and giving energy to support the superrotation. The importance of the tides in the middle atmosphere is manifested by the tidal character of the local time variation of the structure of the thermal field, zonal wind field (especially, behavior of the wind speed in the mid latitude jet), upper clouds, with amplitudes depending on the altitude and latitude. Investigation of the middle atmosphere is a scientific goal of the long wavelength channel of PFS on Venus Express, as well as of its short wavelength channel (the latter on the day side). The 3D temperature, aerosol, thermal wind and SO2 abundance fields, spatial distribution of abundance of H2O (possibly vertical profile), CO, HCl, HF will be obtained.

Shock-induced thermal wave propagation and response analysis of a viscoelastic thin plate under transient heating loads

NASA Astrophysics Data System (ADS)

Li, Chenlin; Guo, Huili; Tian, Xiaogeng

2018-04-01

This paper is devoted to the thermal shock analysis for viscoelastic materials under transient heating loads. The governing coupled equations with time-delay parameter and nonlocal scale parameter are derived based on the generalized thermo-viscoelasticity theory. The problem of a thin plate composed of viscoelastic material, subjected to a sudden temperature rise at the boundary plane, is solved by employing Laplace transformation techniques. The transient responses, i.e. temperature, displacement, stresses, heat flux as well as strain, are obtained and discussed. The effects of time-delay and nonlocal scale parameter on the transient responses are analyzed and discussed. It can be observed that: the propagation of thermal wave is dynamically smoothed and changed with the variation of time-delay; while the displacement, strain, and stress can be rapidly reduced by nonlocal scale parameter, which can be viewed as an important indicator for predicting the stiffness softening behavior for viscoelastic materials.

Effects of gliadin addition on the rheological, microscopic and thermal characteristics of wheat gluten.

PubMed

Khatkar, B S; Barak, Sheweta; Mudgil, Deepak

2013-02-01

In the present study, micro-structural, thermal and rheological changes in the gluten network upon addition of gliadins at 5% and 10% levels were investigated using scanning electron microscopy (SEM), thermo gravimetric analysis (TGA), differential scanning calorimetry (DSC) and dynamic rheometry. The addition of gliadins decreased the peak dough height inferring decrease in dough strength. The dough stability also decreased from 3.20 to 1.40 min upon addition of 10% gliadin to the base flour. The TGA profile and the glass transition behavior of the control gluten and gluten obtained from dough with gliadin added at 5% and 10% levels showed decrease in thermal stability. The SEM micrograph of the control gluten showed foam like protein matrix. As the gliadin percentage in the gluten was increased, the compactness of the gluten structure reduced considerably leading to the formation of a more open weak gluten network. Copyright © 2012 Elsevier B.V. All rights reserved.

Cellulose whiskers versus microfibrils: influence of the nature of the nanoparticle and its surface functionalization on the thermal and mechanical properties of nanocomposites.

PubMed

Siqueira, Gilberto; Bras, Julien; Dufresne, Alain

2009-02-09

In the present work, nanowhiskers and microfibrillated cellulose (MFC) both extracted from sisal were used to reinforce polycaprolactone (PCL). We report the influence of the nanoparticle's nature on the mechanical and thermal properties of the ensuing nanocomposites. The surface of both the nanoparticles was chemically modified to improve their compatibilization with the polymeric matrix. N-Octadecyl isocyanate (C18H37NCO) was used as the grafting agent. PCL nanocomposite films reinforced with sisal whiskers or MFC (raw or chemically modified) were prepared by film casting. The thermal behavior (Tg, Tm, Tc, and degree of crystallinity) and the mechanical properties of the nanocomposites in both the linear and the nonlinear range were determined using differential scanning calorimetry (DSC), dynamical mechanical analysis (DMA), and tensile tests, respectively. Significant differences were reported according to the nature of the nanoparticle and amount of nanofillers used as reinforcement. It was also proved that the chemical treatment clearly improves the ultimate properties of the nanocomposites.

Why granular media are thermal after all

NASA Astrophysics Data System (ADS)

Liu, Mario; Jiang, Yimin

2017-06-01

Two approaches exist to account for granular behavior. The thermal one considers the total entropy, which includes microscopic degrees of freedom such as phonons; the athermal one (as with the Edward entropy) takes grains as elementary. Granular solid hydrodynamics (GSH) belongs to the first, DEM, granular kinetic theory and athermal statistical mechanics (ASM) to the second. A careful discussion of their conceptual differences is given here. Three noteworthy insights or results are: (1) While DEM and granular kinetic theory are well justified to take grains as elementary, any athermal entropic consideration is bound to run into trouble. (2) Many general principles are taken as invalid in granular media. Yet within the thermal approach, energy conservation and fluctuation-dissipation theorem remain valid, granular temperatures equilibrate, and phase space is well explored in a grain at rest. Hence these are abnormalities of the athermal approximation, not of granular media as such. (3) GSH is a wide-ranged continuum mechanical description of granular dynamics.

Impact Response of Thermally Sprayed Metal Deposits

NASA Astrophysics Data System (ADS)

Wise, J. L.; Hall, A. C.; Moore, N. W.; Pautz, S. D.; Franke, B. C.; Scherzinger, W. M.; Brown, D. W.

2017-06-01

Gas-gun experiments have probed the impact response of tantalum specimens that were additively manufactured using a controlled thermal spray deposition process. Velocity interferometer (VISAR) diagnostics provided time-resolved measurements of sample response under one-dimensional (i . e . , uniaxial strain) shock compression to peak stresses ranging between 1 and 4 GPa. The acquired wave-profile data have been analyzed to determine the Hugoniot Elastic Limit (HEL), Hugoniot equation of state, and high-pressure yield strength of the thermally deposited samples for comparison to published baseline results for conventionally wrought tantalum. The effects of composition, porosity, and microstructure (e . g . , grain/splat size and morphology) are assessed to explain differences in the dynamic mechanical behavior of spray-deposited versus conventional material. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Tunable thermal rectification in graphene/hexagonal boron nitride hybrid structures

NASA Astrophysics Data System (ADS)

Chen, Xue-Kun; Hu, Ji-Wen; Wu, Xi-Jun; Jia, Peng; Peng, Zhi-Hua; Chen, Ke-Qiu

2018-02-01

Using non-equilibrium molecular dynamics simulations, we investigate thermal rectification (TR) in graphene/hexagonal boron nitride (h-BN) hybrid structures. Two different structural models, partially substituting graphene into h-BN (CBN) and partially substituting h-BN into graphene (BNC), are considered. It is found that CBN has a significant TR effect while that of BNC is very weak. The observed TR phenomenon can be attributed to the resonance effect between out-of-plane phonons of graphene and h-BN domains in the low-frequency region under negative temperature bias. In addition, the influences of ambient temperature, system size, defect number and substrate interaction are also studied to obtain the optimum conditions for TR. More importantly, the TR ratio could be effectively tuned through chemical and structural diversity. A moderate C/BN ratio and parallel arrangement are found to enhance the TR ratio. Detailed phonon spectra analyses are conducted to understand the thermal transport behavior. This work extends hybrid engineering to 2D materials for achieving TR.

Prediction of Material Properties of Nanostructured Polymer Composites Using Atomistic Simulations

NASA Technical Reports Server (NTRS)

Hinkley, J.A.; Clancy, T.C.; Frankland, S.J.V.

2009-01-01

Atomistic models of epoxy polymers were built in order to assess the effect of structure at the nanometer scale on the resulting bulk properties such as elastic modulus and thermal conductivity. Atomistic models of both bulk polymer and carbon nanotube polymer composites were built. For the bulk models, the effect of moisture content and temperature on the resulting elastic constants was calculated. A relatively consistent decrease in modulus was seen with increasing temperature. The dependence of modulus on moisture content was less consistent. This behavior was seen for two different epoxy systems, one containing a difunctional epoxy molecule and the other a tetrafunctional epoxy molecule. Both epoxy structures were crosslinked with diamine curing agents. Multifunctional properties were calculated with the nanocomposite models. Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between the carbon nanotube and the surrounding epoxy matrix. These estimated values were used in a multiscale model in order to predict the thermal conductivity of a nanocomposite as a function of the nanometer scaled molecular structure.

Pulse Phase Dynamic Thermal Tomography Investigation on the Defects of the Solid-Propellant Missile Engine Cladding Layer

NASA Astrophysics Data System (ADS)

Peng, Wei; Wang, Fei; Liu, Jun-yan; Xiao, Peng; Wang, Yang; Dai, Jing-min

2018-04-01

Pulse phase dynamic thermal tomography (PP-DTT) was introduced as a nondestructive inspection technique to detect the defects of the solid-propellant missile engine cladding layer. One-dimensional thermal wave mathematical model stimulated by pulse signal was developed and employed to investigate the thermal wave transmission characteristics. The pulse phase algorithm was used to extract the thermal wave characteristic of thermal radiation. Depth calibration curve was obtained by fuzzy c-means algorithm. Moreover, PP-DTT, a depth-resolved photothermal imaging modality, was employed to enable three-dimensional (3D) visualization of cladding layer defects. The comparison experiment between PP-DTT and classical dynamic thermal tomography was investigated. The results showed that PP-DTT can reconstruct the 3D topography of defects in a high quality.

Cellular Tug-of-War: Forces at Work and DNA Stretching in Mitosis

NASA Astrophysics Data System (ADS)

Griffin, Brian; Kilfoil, Maria L.

2013-03-01

In the microscopic world of the cell dominated by thermal noise, a cell must be able to successfully segregate its DNA with high fidelity in order to pass its genetic information on to its progeny. In this process of mitosis in eukaryotes, driving forces act on the cytoskeleton-based architecture called the mitotic spindle to promote this division. Our preliminary data demonstrates that the dynamics of this process in yeast cells is universal. Moreover, the dynamics suggest an increasing load as the chromosomes are pulled apart. To investigate this, we use three-dimensional imaging to track the dynamics of the poles of this architecture and the points of attachment to chromosomes simultaneously and with high spatial resolution. We analyze the relative motions of chromosomes as they are organized before segregation and as they are pulled apart, using this data to investigate the force-response behavior of this cytoskeleton-chromosome polymer system.

Modeling of Non-Isothermal Cryogenic Fluid Sloshing

NASA Technical Reports Server (NTRS)

Agui, Juan H.; Moder, Jeffrey P.

2015-01-01

A computational fluid dynamic model was used to simulate the thermal destratification in an upright self-pressurized cryostat approximately half-filled with liquid nitrogen and subjected to forced sinusoidal lateral shaking. A full three-dimensional computational grid was used to model the tank dynamics, fluid flow and thermodynamics using the ANSYS Fluent code. A non-inertial grid was used which required the addition of momentum and energy source terms to account for the inertial forces, energy transfer and wall reaction forces produced by the shaken tank. The kinetics-based Schrage mass transfer model provided the interfacial mass transfer due to evaporation and condensation at the sloshing interface. The dynamic behavior of the sloshing interface, its amplitude and transition to different wave modes, provided insight into the fluid process at the interface. The tank pressure evolution and temperature profiles compared relatively well with the shaken cryostat experimental test data provided by the Centre National D'Etudes Spatiales.

Dynamically generated patterns in dense suspensions of active filaments

NASA Astrophysics Data System (ADS)

Prathyusha, K. R.; Henkes, Silke; Sknepnek, Rastko

2018-02-01

We use Langevin dynamics simulations to study dynamical behavior of a dense planar layer of active semiflexible filaments. Using the strength of active force and the thermal persistence length as parameters, we map a detailed phase diagram and identify several nonequilibrium phases in this system. In addition to a slowly flowing melt phase, we observe that, for sufficiently high activity, collective flow accompanied by signatures of local polar and nematic order appears in the system. This state is also characterized by strong density fluctuations. Furthermore, we identify an activity-driven crossover from this state of coherently flowing bundles of filaments to a phase with no global flow, formed by individual filaments coiled into rotating spirals. This suggests a mechanism where the system responds to activity by changing the shape of active agents, an effect with no analog in systems of active particles without internal degrees of freedom.

Magnetic response of a disordered binary ferromagnetic alloy to an oscillating magnetic field

NASA Astrophysics Data System (ADS)

Vatansever, Erol; Polat, Hamza

2015-08-01

By means of Monte Carlo simulation with local spin update Metropolis algorithm, we have elucidated non-equilibrium phase transition properties and stationary-state treatment of a disordered binary ferromagnetic alloy of the type ApB1-p on a square lattice. After a detailed analysis, we have found that the system shows many interesting and unusual thermal and magnetic behaviors, for instance, the locations of dynamic phase transition points change significantly depending upon amplitude and period of the external magnetic field as well as upon the active concentration of A-type components. Much effort has also been dedicated to clarify the hysteresis tools, such as coercivity, dynamic loop area as well as dynamic correlations between time dependent magnetizations and external time dependent applied field as a functions of period and amplitude of field as well as active concentration of A-type components, and outstanding physical findings have been reported in order to better understand the dynamic process underlying present system.

Experiments and simulation of thermal behaviors of the dual-drive servo feed system

NASA Astrophysics Data System (ADS)

Yang, Jun; Mei, Xuesong; Feng, Bin; Zhao, Liang; Ma, Chi; Shi, Hu

2015-01-01

The machine tool equipped with the dual-drive servo feed system could realize high feed speed as well as sharp precision. Currently, there is no report about the thermal behaviors of the dual-drive machine, and the current research of the thermal characteristics of machines mainly focuses on steady simulation. To explore the influence of thermal characterizations on the precision of a jib boring machine assembled dual-drive feed system, the thermal equilibrium tests and the research on thermal-mechanical transient behaviors are carried out. A laser interferometer, infrared thermography and a temperature-displacement acquisition system are applied to measure the temperature distribution and thermal deformation at different feed speeds. Subsequently, the finite element method (FEM) is used to analyze the transient thermal behaviors of the boring machine. The complex boundary conditions, such as heat sources and convective heat transfer coefficient, are calculated. Finally, transient variances in temperatures and deformations are compared with the measured values, and the errors between the measurement and the simulation of the temperature and the thermal error are 2 °C and 2.5 μm, respectively. The researching results demonstrate that the FEM model can predict the thermal error and temperature distribution very well under specified operating condition. Moreover, the uneven temperature gradient is due to the asynchronous dual-drive structure that results in thermal deformation. Additionally, the positioning accuracy decreases as the measured point became further away from the motor, and the thermal error and equilibrium period both increase with feed speeds. The research proposes a systematical method to measure and simulate the boring machine transient thermal behaviors.

Experimental Results from the Thermal Energy Storage-2 (TES-2) Flight Experiment

NASA Technical Reports Server (NTRS)

Tolbert, Carol

2000-01-01

Thermal Energy Storage-2 (TES-2) is a flight experiment that flew on the Space Shuttle Endeavour (STS-72), in January 1996. TES-2 originally flew with TES-1 as part of the OAST-2 Hitchhiker payload on the Space Shuttle Columbia (STS-62) in early 1994. The two experiments, TES-1 and TES-2 were identical except for the fluoride salts to be characterized. TES-1 provided data on lithium fluoride (LiF), TES-2 provided data on a fluoride eutectic (LiF/CaF2). Each experiment was a complex autonomous payload in a Get-Away-Special payload canister. TES-1 operated flawlessly for 22 hr. Results were reported in a paper entitled, Effect of Microgravity on Materials Undergoing Melting and Freezing-The TES Experiment, by David Namkoong et al. A software failure in TES-2 caused its shutdown after 4 sec of operation. TES-1 and 2 were the first experiments in a four experiment suite designed to provide data for understanding the long duration microgravity behavior of thermal energy storage salts that undergo repeated melting and freezing. Such data have never been obtained before and have direct application for the development of space-based solar dynamic (SD) power systems. These power systems will store energy in a thermal energy salt such as lithium fluoride or a eutectic of lithium fluoride/calcium difluoride. The stored energy is extracted during the shade portion of the orbit. This enables the solar dynamic power system to provide constant electrical power over the entire orbit. Analytical computer codes were developed for predicting performance of a space-based solar dynamic power system. Experimental verification of the analytical predictions were needed prior to using the analytical results for future space power design applications. The four TES flight experiments were to be used to obtain the needed experimental data. This paper will address the flight results from the first and second experiments, TES-1 and 2, in comparison to the predicted results from the Thermal Energy Storage Simulation (TESSIM) analytical computer code. An analysis of the TES-2 data was conducted by Cleveland State University Professor, Mounir Ibrahim. TESSIM validation was based on two types of results; temperature history of various points on the containment vessel and TES material distribution within the vessel upon return from flight. The TESSIM prediction showed close comparison with the flight data. Distribution of the TES material within the vessel was obtained by a tomography imaging process. The frozen TES material was concentrated toward the colder end of the canister. The TESSIM prediction indicated a similar pattern. With agreement between TESSIM and the flight data, a computerized representation was produced to show the movement and behavior of the void during the entire melting and freezing cycles.

Modelling of thermal field and point defect dynamics during silicon single crystal growth using CZ technique

NASA Astrophysics Data System (ADS)

Sabanskis, A.; Virbulis, J.

2018-05-01

Mathematical modelling is employed to numerically analyse the dynamics of the Czochralski (CZ) silicon single crystal growth. The model is axisymmetric, its thermal part describes heat transfer by conduction and thermal radiation, and allows to predict the time-dependent shape of the crystal-melt interface. Besides the thermal field, the point defect dynamics is modelled using the finite element method. The considered process consists of cone growth and cylindrical phases, including a short period of a reduced crystal pull rate, and a power jump to avoid large diameter changes. The influence of the thermal stresses on the point defects is also investigated.

Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium

NASA Astrophysics Data System (ADS)

Dhabal, Debdas; Chakravarty, Charusita; Molinero, Valeria; Kashyap, Hemant K.

2016-12-01

We use molecular dynamics simulations to compare and contrast the liquid-state anomalies in the Stillinger-Weber models of monatomic water (mW), silicon (Si), and germanium (Ge) over a fairly wide range of temperatures and densities. The relationships between structure, entropy, and mobility, as well as the extent of the regions of anomalous behavior, are discussed as a function of the degree of tetrahedrality. We map out the cascade of density, structural, pair entropy, excess entropy, viscosity, and diffusivity anomalies for these three liquids. Among the three liquids studied here, only mW displays anomalies in the thermal conductivity, and this anomaly is evident only at very low temperatures. Diffusivity and viscosity, on the other hand, show pronounced anomalous regions for the three liquids. The temperature of maximum density of the three liquids shows re-entrant behavior consistent with either singularity-free or liquid-liquid critical point scenarios proposed to explain thermodynamic anomalies. The order-map, which shows the evolution of translational versus tetrahedral order in liquids, is different for Ge than for Si and mW. We find that although the monatomic water reproduces several thermodynamic and dynamic properties of rigid-body water models (e.g., SPC/E, TIP4P/2005), its sequence of anomalies follows, the same as Si and Ge, the silica-like hierarchy: the region of dynamic (diffusivity and viscosity) anomalies encloses the region of structural anomalies, which in turn encloses the region of density anomaly. The hierarchy of the anomalies based on excess entropy and Rosenfeld scaling, on the other hand, reverses the order of the structural and dynamic anomalies, i.e., predicts that the three Stillinger-Weber liquids follow a water-like hierarchy of anomalies. We investigate the scaling of diffusivity, viscosity, and thermal conductivity with the excess entropy of the liquid and find that for dynamical properties that present anomalies there is no universal scaling of the reduced property with excess entropy for the whole range of temperatures and densities. Instead, Rosenfeld's scaling holds for all the three liquids at high densities and high temperatures, although deviations from simple exponential dependence are observed for diffusivity and viscosity at lower temperatures and intermediate densities. The slope of the scaling of transport properties obtained for Ge is comparable to that obtained for simple liquids, suggesting that this low tetrahedrality liquid, although it stabilizes a diamond crystal, is already close to simple liquid behavior for certain properties.

Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium.

PubMed

Dhabal, Debdas; Chakravarty, Charusita; Molinero, Valeria; Kashyap, Hemant K

2016-12-07

We use molecular dynamics simulations to compare and contrast the liquid-state anomalies in the Stillinger-Weber models of monatomic water (mW), silicon (Si), and germanium (Ge) over a fairly wide range of temperatures and densities. The relationships between structure, entropy, and mobility, as well as the extent of the regions of anomalous behavior, are discussed as a function of the degree of tetrahedrality. We map out the cascade of density, structural, pair entropy, excess entropy, viscosity, and diffusivity anomalies for these three liquids. Among the three liquids studied here, only mW displays anomalies in the thermal conductivity, and this anomaly is evident only at very low temperatures. Diffusivity and viscosity, on the other hand, show pronounced anomalous regions for the three liquids. The temperature of maximum density of the three liquids shows re-entrant behavior consistent with either singularity-free or liquid-liquid critical point scenarios proposed to explain thermodynamic anomalies. The order-map, which shows the evolution of translational versus tetrahedral order in liquids, is different for Ge than for Si and mW. We find that although the monatomic water reproduces several thermodynamic and dynamic properties of rigid-body water models (e.g., SPC/E, TIP4P/2005), its sequence of anomalies follows, the same as Si and Ge, the silica-like hierarchy: the region of dynamic (diffusivity and viscosity) anomalies encloses the region of structural anomalies, which in turn encloses the region of density anomaly. The hierarchy of the anomalies based on excess entropy and Rosenfeld scaling, on the other hand, reverses the order of the structural and dynamic anomalies, i.e., predicts that the three Stillinger-Weber liquids follow a water-like hierarchy of anomalies. We investigate the scaling of diffusivity, viscosity, and thermal conductivity with the excess entropy of the liquid and find that for dynamical properties that present anomalies there is no universal scaling of the reduced property with excess entropy for the whole range of temperatures and densities. Instead, Rosenfeld's scaling holds for all the three liquids at high densities and high temperatures, although deviations from simple exponential dependence are observed for diffusivity and viscosity at lower temperatures and intermediate densities. The slope of the scaling of transport properties obtained for Ge is comparable to that obtained for simple liquids, suggesting that this low tetrahedrality liquid, although it stabilizes a diamond crystal, is already close to simple liquid behavior for certain properties.

Anisotropic kinetic energy release and gyroscopic behavior of CO2 super rotors from an optical centrifuge.

PubMed

Murray, Matthew J; Ogden, Hannah M; Mullin, Amy S

2017-10-21

An optical centrifuge is used to generate an ensemble of CO 2 super rotors with oriented angular momentum. The collision dynamics and energy transfer behavior of the super rotor molecules are investigated using high-resolution transient IR absorption spectroscopy. New multipass IR detection provides improved sensitivity to perform polarization-dependent transient studies for rotational states with 76 ≤ J ≤ 100. Polarization-dependent measurements show that the collision-induced kinetic energy release is spatially anisotropic and results from both near-resonant energy transfer between super rotor molecules and non-resonant energy transfer between super rotors and thermal molecules. J-dependent studies show that the extent and duration of the orientational anisotropy increase with rotational angular momentum. The super rotors exhibit behavior akin to molecular gyroscopes, wherein molecules with larger amounts of angular momentum are less likely to change their angular momentum orientation through collisions.

Anisotropic kinetic energy release and gyroscopic behavior of CO2 super rotors from an optical centrifuge

NASA Astrophysics Data System (ADS)

Murray, Matthew J.; Ogden, Hannah M.; Mullin, Amy S.

2017-10-01

An optical centrifuge is used to generate an ensemble of CO2 super rotors with oriented angular momentum. The collision dynamics and energy transfer behavior of the super rotor molecules are investigated using high-resolution transient IR absorption spectroscopy. New multipass IR detection provides improved sensitivity to perform polarization-dependent transient studies for rotational states with 76 ≤ J ≤ 100. Polarization-dependent measurements show that the collision-induced kinetic energy release is spatially anisotropic and results from both near-resonant energy transfer between super rotor molecules and non-resonant energy transfer between super rotors and thermal molecules. J-dependent studies show that the extent and duration of the orientational anisotropy increase with rotational angular momentum. The super rotors exhibit behavior akin to molecular gyroscopes, wherein molecules with larger amounts of angular momentum are less likely to change their angular momentum orientation through collisions.

Universality of nonthermal behavior in spinor Bose condensates

NASA Astrophysics Data System (ADS)

Patil, Yogesh Sharad; Cheung, Hil F. H.; Shaffer, Airlia; Chen, Huiyao Y.; Vengalattore, Mukund

2016-05-01

Spinor Bose condensates exhibit a rich phase diagram with varied magnetic ordering and topological defects because of the close competition between their spin and charge dependent interactions. Quenching such a spinor condensate into a ferromagnetic state realizes robust non-equilibrium and prethermalized states whose macroscopic behavior differs from thermodynamic predictions. In previous work, we have identified the microscopic origin of prethermalization in Rubidium spinor gases as being the disparate energy scales of the phonon and magnon excitations in this gas. This identification of the microscopic origin enables us to broaden the scope of our studies to address fundamental questions regarding the equilibration of isolated quantum systems. We will discuss our recent results that suggest the universality of this coarsening behavior and evidence that this system can be mapped on to a non-thermal fixed point studied in high energy field theories. This work is supported by the ARO MURI on non-equilibrium dynamics.

Mechanical analysis of confectioning flaw of refractory alloy honeycomb sandwich structure

NASA Astrophysics Data System (ADS)

He, Xiaodong; Kong, Xianghao; Shi, Liping; Li, Mingwei

2009-03-01

Thermal protection system is one of the key technology of reusable launch vehicle (RLV). After C/C and ceramic-matrix composite used in space orbiter, one new-typed thermal protection systems (TPS)-ARMOR TPS is coming forth. ARMOR TPS is means adaptable, robust, metallic, operable, reusable TPS. The ARMOR TPS has many advantages, for example: fixing easily, longer life, good properties, short time of maintenance and service. The ARMOR TPS is one of important candidate structure of RLV. ARMOR thermal protection system in foreign countries for reusable launch vehicle is used instead of the traditional ceramic-matrix composite thermal protection system and C/C thermal protection system. Also the constituent feature of ARMOR thermal protection system is much better than the traditional TPS. In comparison with traditional TPS, the ARMOR TPS will be the best selection for all kinds of RLV. So the ARMOR thermal protection system will be used in aviation and spaceflight field more and more widely because of its much better performance. ARMOR TPS panel is above the whole ARMOR TPS, and the metal honeycomb sandwich structure is the surface of the ARMOR TPS panel. So the metal honeycomb sandwich structure plays an important role in the ARMOR TPS, while it bears the flight dynamic pressure and stands against the flight dynamic calefaction. The metal honeycomb sandwich structure is made using the technique of the whole braze welding. In the course of the vacuum high temperature braze welding, its surface will appear concave. The reasons which lead to the shortage are summarized and discussed. The difference of thermal expansion coefficient and pressure between the core and the panels may be the chief reasons. This paper will analyze the mechanics behavior of metal honeycomb sandwich structure in the course of the vacuum high temperature braze welding, then make sure the reasons and get a way to solve it. Haynes214 is a good material of face sheet at present. γ - TiAl and microlaminate materials are the candidate materials in the future.

Dynamics of open quantum systems by interpolation of von Neumann and classical master equations, and its application to quantum annealing

NASA Astrophysics Data System (ADS)

Kadowaki, Tadashi

2018-02-01

We propose a method to interpolate dynamics of von Neumann and classical master equations with an arbitrary mixing parameter to investigate the thermal effects in quantum dynamics. The two dynamics are mixed by intervening to continuously modify their solutions, thus coupling them indirectly instead of directly introducing a coupling term. This maintains the quantum system in a pure state even after the introduction of thermal effects and obtains not only a density matrix but also a state vector representation. Further, we demonstrate that the dynamics of a two-level system can be rewritten as a set of standard differential equations, resulting in quantum dynamics that includes thermal relaxation. These equations are equivalent to the optical Bloch equations at the weak coupling and asymptotic limits, implying that the dynamics cause thermal effects naturally. Numerical simulations of ferromagnetic and frustrated systems support this idea. Finally, we use this method to study thermal effects in quantum annealing, revealing nontrivial performance improvements for a spin glass model over a certain range of annealing time. This result may enable us to optimize the annealing time of real annealing machines.

Transport processes in directional solidification and their effects on microstructure development

NASA Astrophysics Data System (ADS)

Mazumder, Prantik

The processing of materials with unique electronic, mechanical, optical and thermal properties plays a crucial role in modern technology. The quality of these materials depend strongly on the microstructures and the solute/dopant fields in the solid product, that are strongly influenced by the intricate coupling of heat and mass transfer and melt flow in the growth systems. An integrated research program is developed that include precisely characterized experiments and detailed physical and numerical modeling of the complex transport and dynamical processes. Direct numerical simulation of the solidification process is carried out that takes into account the unsteady thermo-solutal convection in the vertical Bridgman crystal growth system, and accurately models the thermal interaction between the furnace and the ampoule by appropriately using experimentally measured thermal profiles. The flow instabilities and transitions and the nonlinear evolution following the transitions are investigated by time series and flow pattern analysis. A range of complex dynamical behavior is predicted with increasing thermal Rayleigh number. The route to chaos appears as: steady convection --> transient mono-periodic --> transient bi-periodic --> transient quasiperiodic --> transient intermittent oscillation- relaxation --> stable intermittent oscillation-relaxation attractor. The spatio-temporal dynamics of the melt flow is found to be directly related to the spatial patterns observed experimentally in the solidified crystals. The application of the model to two phase Sn-Cd peritectic alloys showed that a new class of tree-like oscillating microstructure develops in the solid phase due to unsteady thermo-solutal convection in the liquid melt. These oscillating layered structures can give the illusion of band structures on a plane of polish. The model is applied to single phase solidification in the Al-Cu and Pb-Sn systems to characterize the effect of convection on the macroscopic shape and disorder in the primary arm spacing of the cellular/dendritic freezing front. The apparently puzzling experimental observation of higher disorder in the weakly convective Al-Cu system than that in the highly convective Pb-Sn system is explained by the numerical calculations.

Finite element modeling of temperature load effects on the vibration of local modes in multi-cable structures

NASA Astrophysics Data System (ADS)

Treyssède, Fabien

2018-01-01

Understanding thermal effects on the vibration of local (cable-dominant) modes in multi-cable structures is a complicated task. The main difficulty lies in the modification by temperature change of cable tensions, which are then undetermined. This paper applies a finite element procedure to investigate the effects of thermal loads on the linear dynamics of prestressed self-weighted multi-cable structures. Provided that boundary conditions are carefully handled, the discretization of cables with nonlinear curved beam elements can properly represent the thermoelastic behavior of cables as well as their linearized dynamics. A three-step procedure that aims to replace applied pretension forces with displacement continuity conditions is used. Despite an increase in the computational cost related to beam rotational degrees of freedom, such an approach has several advantages. Nonlinear beam finite elements are usually available in commercial codes. The overall method follows a thermoelastic geometrically non-linear analysis and hereby includes the main sources of non-linearities in multi-cable structures. The effects of cable bending stiffness, which can be significant, are also naturally accounted for. The accuracy of the numerical approach is assessed thanks to an analytical model for the vibration of a single inclined cable under temperature change. Then, the effects of thermal loads are investigated for two cable bridges, highlighting how natural frequencies can be affected by temperature. Although counterintuitive, a reverse relative change of natural frequency may occur for certain local modes. This phenomenon can be explained by two distinct mechanisms, one related to the physics intrinsic to cables and the other related to the thermal deflection of the superstructure. Numerical results show that cables cannot be isolated from the rest of the structure and the importance of modeling the whole structure for a quantitative analysis of temperature effects on the dynamics of cable bridges.

Reptile Embryos Lack the Opportunity to Thermoregulate by Moving within the Egg.

PubMed

Telemeco, Rory S; Gangloff, Eric J; Cordero, Gerardo A; Mitchell, Timothy S; Bodensteiner, Brooke L; Holden, Kaitlyn G; Mitchell, Sarah M; Polich, Rebecca L; Janzen, Fredric J

2016-07-01

Historically, egg-bound reptile embryos were thought to passively thermoconform to the nest environment. However, recent observations of thermal taxis by embryos of multiple reptile species have led to the widely discussed hypothesis that embryos behaviorally thermoregulate. Because temperature affects development, such thermoregulation could allow embryos to control their fate far more than historically assumed. We assessed the opportunity for embryos to behaviorally thermoregulate in nature by examining thermal gradients within natural nests and eggs of the common snapping turtle (Chelydra serpentina; which displays embryonic thermal taxis) and by simulating thermal gradients within nests across a range of nest depths, egg sizes, and soil types. We observed little spatial thermal variation within nests, and thermal gradients were poorly transferred to eggs. Furthermore, thermal gradients sufficiently large and constant for behavioral thermoregulation were not predicted to occur in our simulations. Gradients of biologically relevant magnitude have limited global occurrence and reverse direction twice daily when they do exist, which is substantially faster than embryos can shift position within the egg. Our results imply that reptile embryos will rarely, if ever, have the opportunity to behaviorally thermoregulate by moving within the egg. We suggest that embryonic thermal taxis instead represents a play behavior, which may be adaptive or selectively neutral, and results from the mechanisms for behavioral thermoregulation in free-living stages coming online prior to hatching.

Relations between structural and dynamic thermal characteristics of building walls

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

Kossecka, E.; Kosny, J.

1996-10-01

The effect of internal thermal structure on dynamic characteristics of walls is analyzed. The concept of structure factors is introduced and the conditions they impose on response factors are given. Simple examples of multilayer walls, representing different types of thermal resistance and capacity distribution, are analyzed to illustrate general relations between structure factors and response factors. The idea of the ``thermally equivalent wall``, a plane multilayer structure, with dynamic characteristics similar to those of a complex structure, in which three-dimensional heat flow occurs, is presented.

Capturing Guest Dynamics in Metal-Organic Framework CPO-27-M (M = Mg, Zn) by (2)H Solid-State NMR Spectroscopy.

PubMed

Xu, Jun; Sinelnikov, Regina; Huang, Yining

2016-06-07

Metal-organic frameworks (MOFs) are promising porous materials for gas separation and storage as well as sensing. In particular, a series of isostructural MOFs with coordinately unsaturated metal centers, namely, CPO-27-M or M-MOF-74 (M = Mg, Zn, Mn, Fe, Ni, Co, Cu), have shown exceptional adsorption capacity and selectivity compared to those of classical MOFs that contain only fully coordinated metal sites. Although it is widely accepted that the interaction between guest molecules and exposed metal centers is responsible for good selectivity and large maximum uptake, the investigation of such guest-metal interaction is very challenging because adsorbed molecules are usually disordered in the pores and undergo rapid thermal motions. (2)H solid-state NMR (SSNMR) spectroscopy is one of the most extensively used techniques for capturing guest dynamics in porous materials. In this work, variable-temperature (2)H wide-line SSNMR experiments were performed on CPO-27-M (M = Mg, Zn) loaded with four prototypical guest molecules: D2O, CD3CN, acetone-d6, and C6D6. The results indicate that different guest molecules possess distinct dynamic behaviors inside the channel of CPO-27-M. For a given guest molecule, its dynamic behavior also depends on the nature of the metal centers. The binding strength of guest molecules is discussed on the basis of the (2)H SSNMR data.

Hybrid networks based on epoxidized camelina oil

PubMed Central

Balanuca, Brindusa; Stan, Raluca; Lungu, Adriana; Vasile, Eugeniu; Iovu, Horia

2017-01-01

Abstract Lately, renewable resources received great attention in the macromolecular compounds area, regarding the design of the monomers and polymers with different applications. In this study the capacity of several modified vegetable oil-based monomers to build competitive hybrid networks was investigate, taking into account thermal and mechanical behavior of the designed materials. In order to synthesize such competitive nanocomposites, the selected renewable raw material, camelina oil, was employed due to the non-toxicity and biodegradability behavior. General properties of epoxidized camelina oil-based materials were improved by loading of different types of organic-inorganic hybrid compounds – polyhedral oligomeric silsesquioxane (POSS) bearing one (POSS1Ep) or eight (POSS8Ep) epoxy rings on the cages. In order to identify the chemical changes occurring after the thermal curing reactions, FT-IR spectrometry was employed. The new synthesized nanocomposites based on epoxidized camelina oil (ECO) were characterized by dynamic mechanical analyze and thermogravimetric analyze. The morphology of the ECO-based materials was investigate by scanning electron microscopy and supplementary information regarding the presence of the POSS compounds were establish by energy dispersive X-ray analysis and X-ray photoelectron spectroscopy. The smooth materials without any separation phase indicates a well dispersion of the Si–O–Si cages within the organic matrix and the incorporation of this hybrid compounds into the ECO network demonstrates to be a well strategy to improve the thermal and mechanical properties, simultaneously. PMID:29491775

Energy dissipation of rigid dipoles in a viscous fluid under the action of a time-periodic field: The influence of thermal bath and dipole interaction

NASA Astrophysics Data System (ADS)

Lyutyy, T. V.; Reva, V. V.

2018-05-01

Ferrofluid heating by an external alternating field is studied based on the rigid dipole model, where the magnetization of each particle in a fluid is supposed to be firmly fixed in the crystal lattice. Equations of motion, employing Newton's second law for rotational motion, the condition of rigid body rotation, and the assumption that the friction torque is proportional to angular velocity are used. This oversimplification permits us to expand the model easily: to take into account the thermal noise and interparticle interaction that allows us to estimate from unified positions the role of thermal activation and dipole interaction in the heating process. Our studies are conducted in three stages. The exact expressions for the average power loss of a single particle are obtained within the dynamical approximation. Then, in the stochastic case, the power loss of a single particle is estimated analytically using the Fokker-Planck equation and numerically using the effective Langevin equation. Finally, the power loss for the particle ensemble is obtained using the molecular dynamics method. Here, the local dipole fields are calculated approximately based on the Barnes-Hut algorithm. The revealed trends in the behavior of both a single particle and the particle ensemble suggest the way of choosing the conditions for obtaining the maximum heating efficiency. The competitiveness character of the interparticle interaction and thermal noise is investigated in detail. Two situations, when the thermal noise rectifies the power loss reduction caused by the interaction, are described. The first of them is related to the complete destruction of dense clusters at high noise intensity. The second one originates from the rare switching of the particles in clusters due to thermal activation, when the noise intensity is relatively weak. In this way, the constructive role of noise appears in the system.

Enhanced sampling of molecular dynamics simulation of peptides and proteins by double coupling to thermal bath.

PubMed

Chen, Changjun; Huang, Yanzhao; Xiao, Yi

2013-01-01

Low sampling efficiency in conformational space is the well-known problem for conventional molecular dynamics. It greatly increases the difficulty for molecules to find the transition path to native state, and costs amount of CPU time. To accelerate the sampling, in this paper, we re-couple the critical degrees of freedom in the molecule to environment temperature, like dihedrals in generalized coordinates or nonhydrogen atoms in Cartesian coordinate. After applying to ALA dipeptide model, we find that this modified molecular dynamics greatly enhances the sampling behavior in the conformational space and provides more information about the state-to-state transition, while conventional molecular dynamics fails to do so. Moreover, from the results of 16 independent 100 ns simulations by the new method, it shows that trpzip2 has one-half chances to reach the naive state in all the trajectories, which is greatly higher than conventional molecular dynamics. Such an improvement would provide a potential way for searching the conformational space or predicting the most stable states of peptides and proteins.

A model of heat transfer in sapwood and implications for sap flux density measurements using thermal dissipation probes

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

Wullschleger, Stan D; Childs, Kenneth W; King, Anthony Wayne

2011-01-01

A variety of thermal approaches are used to estimate sap flux density in stems of woody plants. Models have proven valuable tools for interpreting the behavior of heat pulse, heat balance, and heat field deformation techniques, but have seldom been used to describe heat transfer dynamics for the heat dissipation method. Therefore, to better understand the behavior of heat dissipation probes, a model was developed that takes into account the thermal properties of wood, the physical dimensions and thermal characteristics of the probes, and the conductive and convective heat transfer that occurs due to water flow in the sapwood. Probesmore » were simulated as aluminum tubes 20 mm in length and 2 mm in diameter, whereas sapwood, heartwood, and bark each had a density and water fraction that determined their thermal properties. Base simulations assumed a constant sap flux density with sapwood depth and no wounding or physical disruption of xylem beyond the 2 mm diameter hole drilled for probe installation. Simulations across a range of sap flux densities showed that the dimensionless quantity k defined as ( Tm T)/ T where Tm is the temperature differential ( T) between the heated and unheated probe under zero flow conditions was dependent on the thermal conductivity of the sapwood. The relationship between sap flux density and k was also sensitive to radial gradients in sap flux density and to xylem disruption near the probe. Monte Carlo analysis in which 1000 simulations were conducted while simultaneously varying thermal conductivity and wound diameter revealed that sap flux density and k showed considerable departure from the original calibration equation used with this technique. The departure was greatest for abrupt patterns of radial variation typical of ring-porous species. Depending on the specific combination of thermal conductivity and wound diameter, use of the original calibration equation resulted in an 81% under- to 48% over-estimation of sap flux density at modest flux rates. Future studies should verify these simulations and assess their utility in estimating sap flux density for this widely used technique.« less

Gluon transport equation with effective mass and dynamical onset of Bose–Einstein condensation

DOE PAGES

Blaizot, Jean-Paul; Jiang, Yin; Liao, Jinfeng

2016-05-01

In this paper we study the transport equation describing a dense system of gluons, in the small scattering angle approximation, taking into account medium-generated effective masses of the gluons. We focus on the case of overpopulated systems that are driven to Bose–Einstein condensation on their way to thermalization. Lastly, the presence of a mass modifies the dispersion relation of the gluon, as compared to the massless case, but it is shown that this does not change qualitatively the scaling behavior in the vicinity of the onset.

Gluon transport equation with effective mass and dynamical onset of Bose–Einstein condensation

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

Blaizot, Jean-Paul; Jiang, Yin; Liao, Jinfeng

In this paper we study the transport equation describing a dense system of gluons, in the small scattering angle approximation, taking into account medium-generated effective masses of the gluons. We focus on the case of overpopulated systems that are driven to Bose–Einstein condensation on their way to thermalization. Lastly, the presence of a mass modifies the dispersion relation of the gluon, as compared to the massless case, but it is shown that this does not change qualitatively the scaling behavior in the vicinity of the onset.

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

Han, Sang D.; Borodin, Oleg; Seo, D. M.

Electrolytes with the salt lithium bis(fluorosulfonyl)imide (LiFSI) have been evaluated relative to comparable electrolytes with other lithium salts. Acetonitrile (AN) has been used as a model electrolyte solvent. The information obtained from the thermal phase behavior, solvation/ionic association interactions, quantum chemical (QC) calculations and molecular dynamics (MD) simulations (with an APPLE&P many-body polarizable force field for the LiFSI salt) of the (AN)n-LiFSI mixtures provides detailed insight into the coordination interactions of the FSI- anions and the wide variability noted in the electrolyte transport property (i.e., viscosity and ionic conductivity).

Smooth and rapid microwave synthesis of MIL-53(Fe) including superparamagnetic γ-Fe2O3 nanoparticles

NASA Astrophysics Data System (ADS)

Wengert, Simon; Albrecht, Joachim; Ruoss, Stephen; Stahl, Claudia; Schütz, Gisela; Schäfer, Ronald

2017-12-01

MIL-53(Fe) linked to superparamagnetic γ-Fe2O3 nanoparticles was created using time-efficient microwave synthesis. Intermediates as well as the final product have been characterized by Dynamic Light Scattering (DLS), Infrared Spectroscopy (FTIR) and Thermal Gravimetric Analysis (TGA). It is found that this route allows the production of Fe nanoparticles with typical sizes of about 80 nm that are embedded inside the metal-organic structures. Detailed magnetization measurements using SQUID magnetometry revealed a nearly reversible magnetization loop indicating essentially superparamagnetic behavior.

Study of ATES thermal behavior using a steady flow model

NASA Astrophysics Data System (ADS)

Doughty, C.; Hellstroem, G.; Tsang, C. F.; Claesson, J.

1981-01-01

The thermal behavior of a single well aquifer thermal energy storage system in which buoyancy flow is neglected is studied. A dimensionless formulation of the energy transport equations for the aquifer system is presented, and the key dimensionless parameters are discussed. A simple numerical model is used to generate graphs showing the thermal behavior of the system as a function of these parameters. Some comparisons with field experiments are given to illustrate the use of the dimensionless groups and graphs.

Structure and Dynamics of Confined C-O-H Fluids Relevant to the Subsurface: Application of Magnetic Resonance, Neutron Scattering and Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Gautam, Siddharth S.; Ok, Salim; Cole, David R.

2017-06-01

Geo-fluids consisting of C-O-H volatiles are the main mode of transport of mass and energy throughout the lithosphere and are commonly found confined in pores, grain boundaries and fractures. The confinement of these fluids by porous media at the length scales of a few nanometers gives rise to numerous physical and chemical properties that deviate from the bulk behavior. Studying the structural and dynamical properties of these confined fluids at the length and time scales of nanometers and picoseconds respectively forms an important component of understanding their behavior. To study confined fluids, non-destructive penetrative probes are needed. Nuclear magnetic resonance (NMR) by virtue of its ability to monitor longitudinal and transverse magnetization relaxations of spins, and chemical shifts brought about by the chemical environment of a nucleus, and measuring diffusion coefficient provides a good opportunity to study dynamics and chemical structure at the molecular length and time scales. Another technique that gives insights into the dynamics and structure at these length and time scales is neutron scattering (NS). This is because the wavelength and energies of cold and thermal neutrons used in scattering experiments are in the same range as the spatial features and energies involved in the dynamical processes occurring at the molecular level. Molecular Dynamics (MD) simulations on the other hand help with the interpretation of the NMR and NS data. Simulations can also supplement the experiments by calculating quantities not easily accessible to experiments. Thus using NMR, NS and MD simulations in conjunction, a complete description of the molecular structure and dynamics of confined geo-fluids can be obtained. In the current review, our aim is to show how a synergistic use of these three techniques has helped shed light on the complex behavior of water, CO2, and low molecular weight hydrocarbons. After summarizing the theoretical backgrounds of the techniques, we will discuss some recent examples of the use of NMR, NS, and MD simulations to the study of confined fluids.

Time-resolved investigations of the non-thermal ablation process of graphite induced by femtosecond laser pulses

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

Kalupka, C., E-mail: christian.kalupka@llt.rwth-aachen.de; Finger, J.; Reininghaus, M.

2016-04-21

We report on the in-situ analysis of the ablation dynamics of the, so-called, laser induced non-thermal ablation process of graphite. A highly oriented pyrolytic graphite is excited by femtosecond laser pulses with fluences below the classic thermal ablation threshold. The ablation dynamics are investigated by axial pump-probe reflection measurements, transversal pump-probe shadowgraphy, and time-resolved transversal emission photography. The combination of the applied analysis methods allows for a continuous and detailed time-resolved observation of the non-thermal ablation dynamics from several picoseconds up to 180 ns. Formation of large, μm-sized particles takes place within the first 3.5 ns after irradiation. The following propagation ofmore » ablation products and the shock wave front are tracked by transversal shadowgraphy up to 16 ns. The comparison of ablation dynamics of different fluences by emission photography reveals thermal ablation products even for non-thermal fluences.« less

The thermal-wave model: A Schroedinger-like equation for charged particle beam dynamics

NASA Technical Reports Server (NTRS)

Fedele, Renato; Miele, G.

1994-01-01

We review some results on longitudinal beam dynamics obtained in the framework of the Thermal Wave Model (TWM). In this model, which has recently shown the capability to describe both longitudinal and transverse dynamics of charged particle beams, the beam dynamics is ruled by Schroedinger-like equations for the beam wave functions, whose squared modulus is proportional to the beam density profile. Remarkably, the role of the Planck constant is played by a diffractive constant epsilon, the emittance, which has a thermal nature.

Basking behavior predicts the evolution of heat tolerance in Australian rainforest lizards.

PubMed

Muñoz, Martha M; Langham, Gary M; Brandley, Matthew C; Rosauer, Dan F; Williams, Stephen E; Moritz, Craig

2016-11-01

There is pressing urgency to understand how tropical ectotherms can behaviorally and physiologically respond to climate warming. We examine how basking behavior and thermal environment interact to influence evolutionary variation in thermal physiology of multiple species of lygosomine rainforest skinks from the Wet Tropics of northeastern Queensland, Australia (AWT). These tropical lizards are behaviorally specialized to exploit canopy or sun, and are distributed across marked thermal clines in the AWT. Using phylogenetic analyses, we demonstrate that physiological parameters are either associated with changes in local thermal habitat or to basking behavior, but not both. Cold tolerance, the optimal sprint speed, and performance breadth are primarily influenced by local thermal environment. Specifically, montane lizards are more cool tolerant, have broader performance breadths, and higher optimum sprinting temperatures than their lowland counterparts. Heat tolerance, in contrast, is strongly affected by basking behavior: there are two evolutionary optima, with basking species having considerably higher heat tolerance than shade skinks, with no effect of elevation. These distinct responses among traits indicate the multiple selective pressures and constraints that shape the evolution of thermal performance. We discuss how behavior and physiology interact to shape organisms' vulnerability and potential resilience to climate change. © 2016 The Author(s). Evolution © 2016 The Society for the Study of Evolution.

LLIMAS: Revolutionizing integrating modeling and analysis at MIT Lincoln Laboratory

NASA Astrophysics Data System (ADS)

Doyle, Keith B.; Stoeckel, Gerhard P.; Rey, Justin J.; Bury, Mark E.

2017-08-01

MIT Lincoln Laboratory's Integrated Modeling and Analysis Software (LLIMAS) enables the development of novel engineering solutions for advanced prototype systems through unique insights into engineering performance and interdisciplinary behavior to meet challenging size, weight, power, environmental, and performance requirements. LLIMAS is a multidisciplinary design optimization tool that wraps numerical optimization algorithms around an integrated framework of structural, thermal, optical, stray light, and computational fluid dynamics analysis capabilities. LLIMAS software is highly extensible and has developed organically across a variety of technologies including laser communications, directed energy, photometric detectors, chemical sensing, laser radar, and imaging systems. The custom software architecture leverages the capabilities of existing industry standard commercial software and supports the incorporation of internally developed tools. Recent advances in LLIMAS's Structural-Thermal-Optical Performance (STOP), aeromechanical, and aero-optical capabilities as applied to Lincoln prototypes are presented.

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

Vila, Fernando D.; Rehr, John J.; Nuzzo, Ralph G.

Supported Pt nanocatalysts generally exhibit anomalous behavior, including negative thermal expansion and large structural disorder. Finite temperature DFT/MD simulations reproduce these properties, showing that they are largely explained by a combination of thermal vibrations and low-frequency disorder. We show in this paper that a full interpretation is more complex and that the DFT/MD mean-square relative displacements (MSRD) can be further separated into vibrational disorder, “dynamic structural disorder” (DSD), and long-time equilibrium fluctuations of the structure dubbed “anomalous structural disorder” (ASD). We find that the vibrational and DSD components behave normally, increasing linearly with temperature while the ASD decreases, reflecting themore » evolution of mean nanoparticle geometry. Finally, as a consequence the usual procedure of fitting the MSRD to normal vibrations plus temperature-independent static disorder results in unphysical bond strengths and Grüneisen parameters.« less

Thermoviscoplastic model with application to copper

NASA Technical Reports Server (NTRS)

Freed, Alan D.

1988-01-01

A viscoplastic model is developed which is applicable to anisothermal, cyclic, and multiaxial loading conditions. Three internal state variables are used in the model; one to account for kinematic effects, and the other two to account for isotropic effects. One of the isotropic variables is a measure of yield strength, while the other is a measure of limit strength. Each internal state variable evolves through a process of competition between strain hardening and recovery. There is no explicit coupling between dynamic and thermal recovery in any evolutionary equation, which is a useful simplification in the development of the model. The thermodynamic condition of intrinsic dissipation constrains the thermal recovery function of the model. Application of the model is made to copper, and cyclic experiments under isothermal, thermomechanical, and nonproportional loading conditions are considered. Correlations and predictions of the model are representative of observed material behavior.

Thermal barrier coating life prediction model

NASA Technical Reports Server (NTRS)

Hillery, R. V.; Pilsner, B. H.

1985-01-01

This is the first report of the first phase of a 3-year program. Its objectives are to determine the predominant modes of degradation of a plasma sprayed thermal barrier coating system, then to develop and verify life prediction models accounting for these degradation modes. The first task (Task I) is to determine the major failure mechanisms. Presently, bond coat oxidation and bond coat creep are being evaluated as potential TBC failure mechanisms. The baseline TBC system consists of an air plasma sprayed ZrO2-Y2O3 top coat, a low pressure plasma sprayed NiCrAlY bond coat, and a Rene'80 substrate. Pre-exposures in air and argon combined with thermal cycle tests in air and argon are being utilized to evaluate bond coat oxidation as a failure mechanism. Unexpectedly, the specimens pre-exposed in argon failed before the specimens pre-exposed in air in subsequent thermal cycles testing in air. Four bond coats with different creep strengths are being utilized to evaluate the effect of bond coat creep on TBC degradation. These bond coats received an aluminide overcoat prior to application of the top coat to reduce the differences in bond coat oxidation behavior. Thermal cycle testing has been initiated. Methods have been selected for measuring tensile strength, Poisson's ratio, dynamic modulus and coefficient of thermal expansion both of the bond coat and top coat layers.

A Technique for Thermal Desorption Analyses Suitable for Thermally-Labile, Volatile Compounds.

PubMed

Alborn, Hans T

2018-02-01

Many plant and insect interactions are governed by odors released by the plants or insects and there exists a continual need for new or improved methods to collect and identify these odors. Our group has for some time studied below-ground, plant-produced volatile signals affecting nematode and insect behavior. The research requires repeated sampling of volatiles of intact plant/soil systems in the laboratory as well as the field with the help of probes to minimize unwanted effects on the systems we are studying. After evaluating solid adsorbent filters with solvent extraction or solid phase micro extraction fiber sample collection, we found dynamic sampling of small air volumes on Tenax TA filters followed by thermal desorption sample introduction to be the most suitable analytical technique for our applications. Here we present the development and evaluation of a low-cost and relatively simple thermal desorption technique where a cold trap cooled with liquid carbon dioxide is added as an integral part of a splitless injector. Temperature gradient-based focusing and low thermal mass minimizes aerosol formation and eliminates the need for flash heating, resulting in low sample degradation comparable to solvent-based on-column injections. Additionally, since the presence of the cold trap does not affect normal splitless injections, on-the-fly switching between splitless and thermal desorption modes can be used for external standard quantification.

A Stochastic-entropic Approach to Detect Persistent Low-temperature Volcanogenic Thermal Anomalies

NASA Astrophysics Data System (ADS)

Pieri, D. C.; Baxter, S.

2011-12-01

Eruption prediction is a chancy idiosyncratic affair, as volcanoes often manifest waxing and/or waning pre-eruption emission, geodetic, and seismic behavior that is unsystematic. Thus, fundamental to increased prediction accuracy and precision are good and frequent assessments of the time-series behavior of relevant precursor geophysical, geochemical, and geological phenomena, especially when volcanoes become restless. The Advanced Spaceborne Thermal Emission and Reflection radiometer (ASTER), in orbit since 1999 on the NASA Terra Earth Observing System satellite is an important capability for detection of thermal eruption precursors (even subtle ones) and increased passive gas emissions. The unique combination of ASTER high spatial resolution multi-spectral thermal IR imaging data (90m/pixel; 5 bands in the 8-12um region), combined with simultaneous visible and near-IR imaging data, and stereo-photogrammetric capabilities make it a useful, especially thermal, precursor detection tool. The JPL ASTER Volcano Archive consisting of 80,000+ASTER volcano images allows systematic analysis of (a) baseline thermal emissions for 1550+ volcanoes, (b) important aspects of the time-dependent thermal variability, and (c) the limits of detection of temporal dynamics of eruption precursors. We are analyzing a catalog of the magnitude, frequency, and distribution of ASTER-documented volcano thermal signatures, compiled from 2000 onward, at 90m/pixel. Low contrast thermal anomalies of relatively low apparent absolute temperature (e.g., summit lakes, fumarolically altered areas, geysers, very small sub-pixel hotspots), for which the signal-to-noise ratio may be marginal (e.g., scene confusion due to clouds, water and water vapor, fumarolic emissions, variegated ground emissivity, and their combinations), are particularly important to discern and monitor. We have developed a technique to detect persistent hotspots that takes into account in-scene observed pixel joint frequency distributions over time, temperature contrast, and Shannon entropy. Preliminary analyses of Fogo Volcano and Yellowstone hotspots, among others, indicate that this is a very sensitive technique with good potential to be applied over the entire ASTER global night-time archive. We will discuss our progress in creating the global thermal anomaly catalog as well as algorithm approach and results. This work was carried out at the Jet Propulsion Laboratory of the California Institute of Technology under contract to NASA.

Holographic Scaling and Dynamical Gauge Effects in Disordered Atomic Gases

NASA Astrophysics Data System (ADS)

Gemelke, Nathan

2016-05-01

Quantum systems with strong disorder, and those far from equilibrium or interacting with a thermal reservior, present unique challenges in a range of physical contexts, from non-relativistic condensed-matter settings, such as in study of localization phenomena, to relativistic cosmology and the study of fundamental interactions. Recently, two related concepts, that of the entropy of entanglement, and the controversial suggestion of entropic emergent gravity, have shed insight on several long-standing questions along these lines, suggesting that strongly disordered systems with causal barriers (either relativistic or those with Lieb-Robinson-like bounds) can be understood using holographic principles in combination with the equivalence between quantum vacuua thermal baths via the Unruh effect. I will discuss a range of experiments performed within a strong, topologically disordered medium for neutral atoms which simultaneously introduces quenched disorder for spin and mass transport, and provides simple mechanisms for open coupling to various types of dissipative baths. Under conditions in which a subset of quantum states are continuously decoupled from the thermal bath, dark state effects lead to slow light phenomena mimicking gravitational lensing in general relativity in a characterizable table-top disordered medium. Non-equilibrium steady-states are observed in direct analogy with the evaporation of gravitational singularities, and we observe scaling behaviors that can be directly connected to holographic measures of the information contained in disorder. Finally, I will show how a dynamic-gauge-field picture of this and similar systems can lead to a natural description of non-equilibrium and disordered phenomena, and how it provides some advantages over the Harris and Luck criteria for describing critical phenomena. Connections between out-of-equilibrium dynamics and some long-unresolved issues concerning the existence of a gauge-boson mass gap in certain Yang-Mills models will also be discussed, as will dynamic gauge effects in experimental many-body systems. This work was supported by NSF Award Number 1068570, and a Grant from the Charles E. Kaufman Foundation.

Dynamic tuning of optical absorbers for accelerated solar-thermal energy storage.

PubMed

Wang, Zhongyong; Tong, Zhen; Ye, Qinxian; Hu, Hang; Nie, Xiao; Yan, Chen; Shang, Wen; Song, Chengyi; Wu, Jianbo; Wang, Jun; Bao, Hua; Tao, Peng; Deng, Tao

2017-11-14

Currently, solar-thermal energy storage within phase-change materials relies on adding high thermal-conductivity fillers to improve the thermal-diffusion-based charging rate, which often leads to limited enhancement of charging speed and sacrificed energy storage capacity. Here we report the exploration of a magnetically enhanced photon-transport-based charging approach, which enables the dynamic tuning of the distribution of optical absorbers dispersed within phase-change materials, to simultaneously achieve fast charging rates, large phase-change enthalpy, and high solar-thermal energy conversion efficiency. Compared with conventional thermal charging, the optical charging strategy improves the charging rate by more than 270% and triples the amount of overall stored thermal energy. This superior performance results from the distinct step-by-step photon-transport charging mechanism and the increased latent heat storage through magnetic manipulation of the dynamic distribution of optical absorbers.

Spatiotemporal dynamics of the spin transition in [Fe (HB(tz)3) 2] single crystals

NASA Astrophysics Data System (ADS)

Ridier, Karl; Rat, Sylvain; Shepherd, Helena J.; Salmon, Lionel; Nicolazzi, William; Molnár, Gábor; Bousseksou, Azzedine

2017-10-01

The spatiotemporal dynamics of the spin transition have been thoroughly investigated in single crystals of the mononuclear spin-crossover (SCO) complex [Fe (HB (tz )3)2] (tz = 1 ,2 ,4-triazol-1-yl) by optical microscopy. This compound exhibits an abrupt spin transition centered at 334 K with a narrow thermal hysteresis loop of ˜1 K (first-order transition). Most single crystals of this compound reveal exceptional resilience upon repeated switching (several hundred cycles), which allowed repeatable and quantitative measurements of the spatiotemporal dynamics of the nucleation and growth processes to be carried out. These experiments revealed remarkable properties of the thermally induced spin transition: high stability of the thermal hysteresis loop, unprecedented large velocities of the macroscopic low-spin/high-spin phase boundaries up to 500 µm/s, and no visible dependency on the temperature scan rate. We have also studied the dynamics of the low-spin → high-spin transition induced by a local photothermal excitation generated by a spatially localized (Ø = 2 μ m ) continuous laser beam. Interesting phenomena have been evidenced both in quasistatic and dynamic conditions (e.g., threshold effects and long incubation periods, thermal activation of the phase boundary propagation, stabilization of the crystal in a stationary biphasic state, and thermal cutoff frequency). These measurements demonstrated the importance of thermal effects in the transition dynamics, and they enabled an accurate determination of the thermal properties of the SCO compound in the framework of a simple theoretical model.

Thermal conductivity of MgO and MgSiO3 at lower mantle conditions from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Jahn, S.; Haigis, V.; Salanne, M.

2011-12-01

Thermal conductivity is an important physical parameter that controls the heat flow in the Earth's core and mantle. The heat flow from the core to the mantle influences mantle dynamics and the convective regime of the liquid outer core, which drives the geodynamo. Although thermal conductivities of important mantle minerals at ambient pressure are well-known (Hofmeister, 1999), experimentalists encounter major difficulties to measure thermal conductivities at high pressures and temperatures. Extrapolations of experimental data to high pressures have a large uncertainty and hence the heat transport in minerals at conditions of the deep mantle is not well constrained. Recently, the thermal conductivity of MgO at lower mantle conditions was computed from first-principles simulations (e.g. de Koker (2009), Stackhouse et al. (2010)). Here, we used classical molecular dynamics to calculate thermal conductivities of MgO and MgSiO3 in the perovskite and post-perovskite structures at different pressures and temperatures. The interactions between atoms were treated by an advanced ionic interaction model which was shown to describe the behavior of materials reliably within a wide pressure and temperature range (Jahn & Madden, 2007). Two alternative techniques were used and compared. In non-equilibrium MD, an energy flow is imposed on the system, and the thermal conductivity is taken to be inversely proportional to the temperature gradient that builds up in response to this flow. The other technique (which is still too expensive for first principles methods) uses standard equilibrium MD and extracts the thermal conductivity from energy current correlation functions, according to the Green-Kubo formula. As a benchmark for the interaction potential, we calculated the thermal conductivity of fcc MgO at 2000K and 149GPa, where data from ab-initio non-equilibrium MD are available (Stackhouse et al., 2010). The results agree within the error bars, which justifies the use of the model for the calculation of thermal conductivities. However, with the non-equilibrium technique, the conductivity depends strongly on the size of the simulation box. Therefore, a scaling to infinite system size has to be applied, which introduces some uncertainty to the final result. The equilibrium MD method, on the other hand, seems to be less sensitive to finite-size effects. We will present computed thermal conductivities of MgO and MgSiO3 in the perovskite and post-perovskite structures at 138 GPa and temperatures of 300 K and 3000 K, the latter corresponding to conditions in the D'' layer. This allows an assessment of the extrapolations to high pressures and temperatures used in the literature. Jahn S & Madden PA (2007) Phys. Earth Planet. Int. 162, 129 de Koker N (2009) Phys. Rev. Lett. 103, 125902 Hofmeister AM (1999) Science 283, 1699 Stackhouse S et al. (2010) Phys. Rev. Lett. 104, 208501

Thermal modal analysis of novel non-pneumatic mechanical elastic wheel based on FEM and EMA

NASA Astrophysics Data System (ADS)

Zhao, Youqun; Zhu, Mingmin; Lin, Fen; Xiao, Zhen; Li, Haiqing; Deng, Yaoji

2018-01-01

A combination of Finite Element Method (FEM) and Experiment Modal Analysis (EMA) have been employed here to characterize the structural dynamic response of mechanical elastic wheel (ME-Wheel) operating under a specific thermal environment. The influence of high thermal condition on the structural dynamic response of ME-Wheel is investigated. The obtained results indicate that the EMA results are in accordance with those obtained using the proposed Finite Element (FE) model, indicting the high reliability of this FE model applied in analyzing the modal of ME-Wheel working under practical thermal environment. It demonstrates that the structural dynamic response of ME-Wheel operating under a specific thermal condition can be predicted and evaluated using the proposed analysis method, which is beneficial for the dynamic optimization design of the wheel structure to avoid tire temperature related vibration failure and improve safety of tire.

Corrosion And Thermal Processing In Cold Gas Dynamic Spray Deposited Austenitic Stainless Steel Coatings

DTIC Science & Technology

2016-06-01

Novosibirsk during the 1980s [14]. In this process, particles of the coating material are accelerated by entrainment in a supersonic jet of gas ...THERMAL PROCESSING IN COLD GAS DYNAMIC SPRAY DEPOSITED AUSTENITIC STAINLESS STEEL COATINGS by John A Luhn June 2016 Thesis Advisor: Sarath...REPORT TYPE AND DATES COVERED Master’s thesis 4. TITLE AND SUBTITLE CORROSION AND THERMAL PROCESSING IN COLD GAS DYNAMIC SPRAY DEPOSITED AUSTENITIC

Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators.

PubMed

Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H-S; Ahn, Jaewook

2018-05-04

Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators

NASA Astrophysics Data System (ADS)

Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H.-S.; Ahn, Jaewook

2018-05-01

Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

Effect of Operating Parameters on a Dual-Stage High Velocity Oxygen Fuel Thermal Spray System

NASA Astrophysics Data System (ADS)

Khan, Mohammed N.; Shamim, Tariq

2014-08-01

High velocity oxygen fuel (HVOF) thermal spray systems are being used to apply coatings to prevent surface degradation. The coatings of temperature sensitive materials such as titanium and copper, which have very low melting points, cannot be applied using a single-stage HVOF system. Therefore, a dual-stage HVOF system has been introduced and modeled computationally. The dual-spray system provides an easy control of particle oxidation by introducing a mixing chamber. In addition to the materials being sprayed, the thermal spray coating quality depends to a large extent on flow behavior of reacting gases and the particle dynamics. The present study investigates the influence of various operating parameters on the performance of a dual-stage thermal spray gun. The objective is to develop a predictive understanding of various parameters. The gas flow field and the free jet are modeled by considering the conservation of mass, momentum, and energy with the turbulence and the equilibrium combustion sub models. The particle phase is decoupled from the gas phase due to very low particle volume fractions. The results demonstrate the advantage of a dual-stage system over a single-stage system especially for the deposition of temperature sensitive materials.

The Zero Boil-Off Tank Experiment Ground Testing and Verification of Fluid and Thermal Performance

NASA Technical Reports Server (NTRS)

Chato, David J.; Kassemi, Mohammad; Kahwaji, Michel; Kieckhafer, Alexander

2016-01-01

The Zero Boil-Off Technology (ZBOT) Experiment involves performing a small scale International Space Station (ISS) experiment to study tank pressurization and pressure control in microgravity. The ZBOT experiment consists of a vacuum jacketed test tank filled with an inert fluorocarbon simulant liquid. Heaters and thermo-electric coolers are used in conjunction with an axial jet mixer flow loop to study a range of thermal conditions within the tank. The objective is to provide a high quality database of low gravity fluid motions and thermal transients which will be used to validate Computational Fluid Dynamic (CFD) modeling. This CFD can then be used in turn to predict behavior in larger systems with cryogens. This paper will discuss the work that has been done to demonstrate that the ZBOT experiment is capable of performing the functions required to produce a meaningful and accurate results, prior to its launch to the International Space Station. Main systems discussed are expected to include the thermal control system, the optical imaging system, and the tank filling system.This work is sponsored by NASAs Human Exploration Mission Directorates Physical Sciences Research program.

The Universal Thermal Climate Index UTCI compared to ergonomics standards for assessing the thermal environment.

PubMed

Bröde, Peter; Błazejczyk, Krzysztof; Fiala, Dusan; Havenith, George; Holmér, Ingvar; Jendritzky, Gerd; Kuklane, Kalev; Kampmann, Bernhard

2013-01-01

The growing need for valid assessment procedures of the outdoor thermal environment in the fields of public weather services, public health systems, urban planning, tourism & recreation and climate impact research raised the idea to develop the Universal Thermal Climate Index UTCI based on the most recent scientific progress both in thermo-physiology and in heat exchange theory. Following extensive validation of accessible models of human thermoregulation, the advanced multi-node 'Fiala' model was selected to form the basis of UTCI. This model was coupled with an adaptive clothing model which considers clothing habits by the general urban population and behavioral changes in clothing insulation related to actual environmental temperature. UTCI was developed conceptually as an equivalent temperature. Thus, for any combination of air temperature, wind, radiation, and humidity, UTCI is defined as the air temperature in the reference condition which would elicit the same dynamic response of the physiological model. This review analyses the sensitivity of UTCI to humidity and radiation in the heat and to wind in the cold and compares the results with observational studies and internationally standardized assessment procedures. The capabilities, restrictions and potential future extensions of UTCI are discussed.

Four-probe electrical-transport measurements on single indium tin oxide nanowires between 1.5 and 300 K

NASA Astrophysics Data System (ADS)

Chiu, Shao-Pin; Chung, Hui-Fang; Lin, Yong-Han; Kai, Ji-Jung; Chen, Fu-Rong; Lin, Juhn-Jong

2009-03-01

Single-crystalline indium tin oxide (ITO) nanowires (NWs) were grown by the standard thermal evaporation method. The as-grown NWs were typically 100-300 nm in diameter and a few µm long. Four-probe submicron Ti/Au electrodes on individual NWs were fabricated by the electron-beam lithography technique. The resistivities of several single NWs have been measured from 300 down to 1.5 K. The results indicate that the as-grown ITO NWs are metallic, but disordered. The overall temperature behavior of resistivity can be described by the Bloch-Grüneisen law plus a low-temperature correction due to the scattering of electrons off dynamic point defects. This observation suggests the existence of numerous dynamic point defects in as-grown ITO NWs.

Evidence for a Quantum-to-Classical Transition in a Pair of Coupled Quantum Rotors

NASA Astrophysics Data System (ADS)

Gadway, Bryce; Reeves, Jeremy; Krinner, Ludwig; Schneble, Dominik

2013-05-01

The understanding of how classical dynamics can emerge in closed quantum systems is a problem of fundamental importance. Remarkably, while classical behavior usually arises from coupling to thermal fluctuations or random spectral noise, it may also be an innate property of certain isolated, periodically driven quantum systems. Here, we experimentally realize the simplest such system, consisting of two coupled, kicked quantum rotors, by subjecting a coherent atomic matter wave to two periodically pulsed, incommensurate optical lattices. Momentum transport in this system is found to be radically different from that in a single kicked rotor, with a breakdown of dynamical localization and the emergence of classical diffusion. Our observation, which confirms a long-standing prediction for many-dimensional quantum-chaotic systems, sheds new light on the quantum-classical correspondence.

Quantum and quasiclassical dynamics of the multi-channel H + H2S reaction.

PubMed

Qi, Ji; Lu, Dandan; Song, Hongwei; Li, Jun; Yang, Minghui

2017-03-28

The prototypical multi-channel reaction H + H 2 S → H 2 + SH/H + H 2 S has been investigated using the full-dimensional quantum scattering and quasi-classical trajectory methods to unveil the underlying competition mechanism between different product channels and the mode specificity. This reaction favors the abstraction channel over the exchange channel. For both channels, excitations in the two stretching modes promote the reaction with nearly equal efficiency and are more efficient than the bending mode excitation. However, they are all less efficient than the translational energy. In addition, the experimentally observed non-Arrhenius temperature dependence of the thermal rate constants is reasonably reproduced by the quantum dynamics calculations, confirming that the non-Arrhenius behavior is caused by the pronounced quantum tunneling.

The development of an advanced generic solar dynamic heat receiver thermal model

NASA Technical Reports Server (NTRS)

Wu, Y. C.; Roschke, E. J.; Kohout, L.

1988-01-01

An advanced generic solar dynamic heat receiver thermal model under development which can analyze both orbital transient and orbital average conditions is discussed. This model can be used to study advanced receiver concepts, evaluate receiver concepts under development, analyze receiver thermal characteristics under various operational conditions, and evaluate solar dynamic system thermal performances in various orbit conditions. The model and the basic considerations that led to its creation are described, and results based on a set of baseline orbit, configuration, and operational conditions are presented to demonstrate the working of the receiver model.

Lattice dynamics of colloidal crystals

NASA Astrophysics Data System (ADS)

Hurd, Alan J.; Clark, Noel A.; Mockler, Richard C.; O'Sullivan, William J.

1982-11-01

Photon correlation spectroscopy was performed on a dilute bcc colloidal crystal in a thin-film cell to measure its response to thermal fluctuations with wave vectors along lattice symmetry directions. The phonon dispersion curves show a definite harmonic-lattice behavior for longitudinal and transverse modes. We present a Langevin treatment of the lattice dynamics, based on harmonic potentials and a theory of hydrodynamic interactions which is exact to lowest order in sphere volume fraction and includes important unsteady flow effects. The model takes into consideration the discreteness of the lattice, which is important near the Brillouin-zone boundary, and has the correct behavior for long-wavelength fluctuations as well (underdamped transverse modes, overdamped longitudinal modes). The mass renormalization of propagating transverse lattice modes is discussed, along with the effects of the thin-film configuration on their propagation. The role of backflow in overdamping longitudinal modes is made clear. From the measured dispersion curves for longitudinal wave vectors, we obtained the following elastic constants: c11=6.96 dyn/cm2 and c12=c44=2.43 dyn/cm2.

A simple model of entropy relaxation for explaining effective activation energy behavior below the glass transition temperature.

PubMed

Bisquert, Juan; Henn, François; Giuntini, Jean-Charles

2005-03-01

Strong changes in relaxation rates observed at the glass transition region are frequently explained in terms of a physical singularity of the molecular motions. We show that the unexpected trends and values for activation energy and preexponential factor of the relaxation time tau, obtained at the glass transition from the analysis of the thermally stimulated current signal, result from the use of the Arrhenius law for treating the experimental data obtained in nonstationary experimental conditions. We then demonstrate that a simple model of structural relaxation based on a time dependent configurational entropy and Adam-Gibbs relaxation time is sufficient to explain the experimental behavior, without invoking a kinetic singularity at the glass transition region. The pronounced variation of the effective activation energy appears as a dynamic signature of entropy relaxation that governs the change of relaxation time in nonstationary conditions. A connection is demonstrated between the peak of apparent activation energy measured in nonequilibrium dielectric techniques, with the overshoot of the dynamic specific heat that is obtained in calorimetry techniques.

The origin of and conditions for clustering in fluids with competing interactions

NASA Astrophysics Data System (ADS)

Jadrich, Ryan; Bollinger, Jonathan; Truskett, Thomas

2015-03-01

Fluids with competing short-range attractions and long-range repulsions exhibit a rich phase behavior characterized by intermediate range order (IRO), as quantified via the static structure factor. This phase behavior includes cluster formation depending upon density-controlled packing effects and the magnitude and range of the attractive and repulsive interactions. Such model systems mimic (to zeroth order) screened, charge-stabilized, aqueous colloidal dispersions of, e.g., proteins. We employ molecular dynamics simulations and integral equation theory to elucidate a more fundamental microscopic explanation for IRO-driven clustering. A simple criterion is identified that indicates when dynamic, amorphous clustering emerges in a polydisperse system, namely when the Ornstein-Zernike thermal correlation length in the system exceeds the repulsive potential tail range. Remarkably, this criterion also appears tightly correlated to crystalline cluster formation in a monodisperse system. Our new gauge is compared to another phenomenological condition for clustering which is when the IRO peak magnitude exceeds ~ 2.7. Ramifications of crystalline versus amorphous clustering are discussed and potential ways of using our new measure in experiment are put forward.

Smart Kirigami open honeycombs in shape changing actuation and dynamics

NASA Astrophysics Data System (ADS)

Neville, R. M.; Scarpa, F.; Leng, J.

2017-04-01

Kirigami is the ancient Japanese art of cutting and folding paper, widespread in Asia since the 17th century. Kirigami offers a broader set of geometries and topologies than classical fold/valleys Origami, because of the presence of cuts. Moreover, Kirigami can be readily applied to a large set of composite and smart 2D materials, and can be used to up-scaled productions with modular molding. We describe the manufacturing and testing of a topology of Kirigami cellular structures defined as Open Honeycombs. Open Honeycombs (OHs) can assume fully closed shape and be alike classical hexagonal centresymmetric honeycombs, or can vary their morphology by tuning the opening angle and rotational stiffness of the folds. We show the performance of experimental PEEK OHs with cable actuation and morphing shape characteristics, and the analogous morphing behavior of styrene SMPs under combined mechanical and thermal loading. We also show the dynamic (modal analysis) behavior of OHs configurations parameterized against their geometry characteristics, and the controllable modal density characteristics that one could obtain by tuning the topology and folding properties.

A 3D dislocation dynamics analysis of the size effect on the strength of [1 1 1] LiF micropillars at 300K and 600K

NASA Astrophysics Data System (ADS)

Chang, Hyung-Jun; Segurado, Javier; Molina-Aldareguía, Jon M.; Soler, Rafael; LLorca, Javier

2016-03-01

The mechanical behavior in compression of [1 1 1] LiF micropillars with diameters in the range 0.5 μm to 2.0 μm was analyzed by means of discrete dislocation dynamics at ambient and elevated temperature. The dislocation velocity was obtained from the Peach-Koehler force acting on the dislocation segments from a thermally-activated model that accounted for the influence of temperature on the lattice resistance. A size effect of the type ‘smaller is stronger’ was predicted by the simulations, which was in quantitative agreement with previous experimental results by the authors [1]. The contribution of the different physical deformation mechanisms to the size effect (namely, nucleation of dislocations, dislocation exhaustion and forest hardening) could be ascertained from the simulations and the dominant deformation mode could be assessed as a function of the specimen size and temperature. These results shed light into the complex interaction among size, lattice resistance and dislocation mobility in the mechanical behavior of μm-sized single crystals.

Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics

NASA Astrophysics Data System (ADS)

Basire, Marie; Mouhat, Félix; Fraux, Guillaume; Bordage, Amélie; Hazemann, Jean-Louis; Louvel, Marion; Spezia, Riccardo; Bonella, Sara; Vuilleumier, Rodolphe

2017-04-01

Vibrational spectroscopy is a fundamental tool to investigate local atomic arrangements and the effect of the environment, provided that the spectral features can be correctly assigned. This can be challenging in experiments and simulations when double peaks are present because they can have different origins. Fermi dyads are a common class of such doublets, stemming from the resonance of the fundamental excitation of a mode with the overtone of another. We present a new, efficient approach to unambiguously characterize Fermi resonances in density functional theory (DFT) based simulations of condensed phase systems. With it, the spectral features can be assigned and the two resonating modes identified. We also show how data from DFT simulations employing classical nuclear dynamics can be post-processed and combined with a perturbative quantum treatment at a finite temperature to include analytically thermal quantum nuclear effects. The inclusion of these effects is crucial to correct some of the qualitative failures of the Newtonian dynamics simulations at a low temperature such as, in particular, the behavior of the frequency splitting of the Fermi dyad. We show, by comparing with experimental data for the paradigmatic case of supercritical CO2, that these thermal quantum effects can be substantial even at ambient conditions and that our scheme provides an accurate and computationally convenient approach to account for them.

The Borexino Thermal Monitoring & Management System and simulations of the fluid-dynamics of the Borexino detector under asymmetrical, changing boundary conditions

NASA Astrophysics Data System (ADS)

Bravo-Berguño, D.; Mereu, R.; Cavalcante, P.; Carlini, M.; Ianni, A.; Goretti, A.; Gabriele, F.; Wright, T.; Yokley, Z.; Vogelaar, R. B.; Calaprice, F.; Inzoli, F.

2018-03-01

A comprehensive monitoring system for the thermal environment inside the Borexino neutrino detector was developed and installed in order to reduce uncertainties in determining temperatures throughout the detector. A complementary thermal management system limits undesirable thermal couplings between the environment and Borexino's active sections. This strategy is bringing improved radioactive background conditions to the region of interest for the physics signal thanks to reduced fluid mixing induced in the liquid scintillator. Although fluid-dynamical equilibrium has not yet been fully reached, and thermal fine-tuning is possible, the system has proven extremely effective at stabilizing the detector's thermal conditions while offering precise insights into its mechanisms of internal thermal transport. Furthermore, a Computational Fluid-Dynamics analysis has been performed, based on the empirical measurements provided by the thermal monitoring system, and providing information into present and future thermal trends. A two-dimensional modeling approach was implemented in order to achieve a proper understanding of the thermal and fluid-dynamics in Borexino. It was optimized for different regions and periods of interest, focusing on the most critical effects that were identified as influencing background concentrations. Literature experimental case studies were reproduced to benchmark the method and settings, and a Borexino-specific benchmark was implemented in order to validate the modeling approach for thermal transport. Finally, fully-convective models were applied to understand general and specific fluid motions impacting the detector's Active Volume.

Influence of different temperatures on the thermal fatigue behavior and thermal stability of hot-work tool steel processed by a biomimetic couple laser technique

NASA Astrophysics Data System (ADS)

Meng, Chao; Zhou, Hong; Zhou, Ying; Gao, Ming; Tong, Xin; Cong, Dalong; Wang, Chuanwei; Chang, Fang; Ren, Luquan

2014-04-01

Three kinds of biomimetic non-smooth shapes (spot-shape, striation-shape and reticulation-shape) were fabricated on the surface of H13 hot-work tool steel by laser. We investigated the thermal fatigue behavior of biomimetic non-smooth samples with three kinds of shapes at different thermal cycle temperature. Moreover, the evolution of microstructure, as well as the variations of hardness of laser affected area and matrix were studied and compared. The results showed that biomimetic non-smooth samples had better thermal fatigue behavior compared to the untreated samples at different thermal cycle temperatures. For a given maximal temperature, the biomimetic non-smooth sample with reticulation-shape had the optimum thermal fatigue behavior, than with striation-shape which was better than that with the spot-shape. The microstructure observations indicated that at different thermal cycle temperatures the coarsening degrees of microstructures of laser affected area were different and the microstructures of laser affected area were still finer than that of the untreated samples. Although the resistance to thermal cycling softening of laser affected area was lower than that of the untreated sample, laser affected area had higher microhardness than the untreated sample at different thermal cycle temperature.

Influence of chain microstructure on thermodegradative behavior of furfuryl methacrylate-N-vinylpyrrolidone random copolymers by thermogravimetry

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

Peniche, C.; Zaldivar, D.; Bulay, A.

1993-12-20

The thermal behavior of random copolymers of furfuryl methacrylate (F) and N-vinyl-pyrrolidone (P) was studied by means of dynamic thermogravimetric analysis (TGA) in the range 100--600 C. The dynamic experiments show that these copolymers exhibit two degradation steps in the intervals 260--320 C and 350--520 C, respectively. The normalized weight loss in the low temperature interval increases as the mole fraction of F in the copolymer m[sub F] increases, whereas an inverted trend in the high temperature interval is observed. The apparent activation energy E[sub a] of the first degradation step for copolymers prepared with different composition, was obtained accordingmore » to the treatment suggested by Broido. A plot of the values of E[sub a] versus the F dead molar fraction in the copolymer chains m[sub FF] gave a straight line that indicates that there is a direct relationship between the thermogravimetric behavior of these systems and their corresponding microstructure, that is, the distribution of comonomeric units along the copolymers chains. The first decomposition step was also studied by isothermal TGA and a good linearity for the variation of the weight loss percentage [Delta]W versus m[sub F] at least during the first 30 min of treatment was obtained.« less

Aspects of jamming in two-dimensional athermal frictionless systems.

PubMed

Reichhardt, C; Reichhardt, C J Olson

2014-05-07

In this work we provide an overview of jamming transitions in two dimensional systems focusing on the limit of frictionless particle interactions in the absence of thermal fluctuations. We first discuss jamming in systems with short range repulsive interactions, where the onset of jamming occurs at a critical packing density and where certain quantities show a divergence indicative of critical behavior. We describe how aspects of the dynamics change as the jamming density is approached and how these dynamics can be explored using externally driven probes. Different particle shapes can produce jamming densities much lower than those observed for disk-shaped particles, and we show how jamming exhibits fragility for some shapes while for other shapes this is absent. Next we describe the effects of long range interactions and jamming behavior in systems such as charged colloids, vortices in type-II superconductors, and dislocations. We consider the effect of adding obstacles to frictionless jamming systems and discuss connections between this type of jamming and systems that exhibit depinning transitions. Finally, we discuss open questions such as whether the jamming transition in all these different systems can be described by the same or a small subset of universal behaviors, as well as future directions for studies of jamming transitions in two dimensional systems, such as jamming in self-driven or active matter systems.

Wettability Switching Techniques on Superhydrophobic Surfaces

PubMed Central

2007-01-01

The wetting properties of superhydrophobic surfaces have generated worldwide research interest. A water drop on these surfaces forms a nearly perfect spherical pearl. Superhydrophobic materials hold considerable promise for potential applications ranging from self cleaning surfaces, completely water impermeable textiles to low cost energy displacement of liquids in lab-on-chip devices. However, the dynamic modification of the liquid droplets behavior and in particular of their wetting properties on these surfaces is still a challenging issue. In this review, after a brief overview on superhydrophobic states definition, the techniques leading to the modification of wettability behavior on superhydrophobic surfaces under specific conditions: optical, magnetic, mechanical, chemical, thermal are discussed. Finally, a focus on electrowetting is made from historical phenomenon pointed out some decades ago on classical planar hydrophobic surfaces to recent breakthrough obtained on superhydrophobic surfaces.

Liquid Droplet Dynamics in Gravity Compensating High Magnetic Field

NASA Technical Reports Server (NTRS)

Bojarevics, V.; Easter, S.; Pericleous, K.

2012-01-01

Numerical models are used to investigate behavior of liquid droplets suspended in high DC magnetic fields of various configurations providing microgravity-like conditions. Using a DC field it is possible to create conditions with laminar viscosity and heat transfer to measure viscosity, surface tension, electrical and thermal conductivities, and heat capacity of a liquid sample. The oscillations in a high DC magnetic field are quite different for an electrically conducting droplet, like liquid silicon or metal. The droplet behavior in a high magnetic field is the subject of investigation in this paper. At the high values of magnetic field some oscillation modes are damped quickly, while others are modified with a considerable shift of the oscillating droplet frequencies and the damping constants from the non-magnetic case.

Multi-Agent Simulations of Earth's Dynamics: Towards a Virtual Laboratory for Plate Tectonics

NASA Astrophysics Data System (ADS)

Grigne, C.; Combes, M.; Tisseau, C.; LeYaouanq, S.; Parenthoen, M.; Tisseau, J.

2012-12-01

MACMA (Multi-Agent Convective MAntle) is a new tool developed at Laboratoire Domaines Océaniques (UMR CNRS 6538) and CERV-LabSTICC (Centre Européen de Réalité Virtuelle, UMR CNRS 6285) to simulate evolutive plates tectonics and mantle convection in a 2-D cylindrical geometry (Combes et al., 2012). In this approach, ridges, subduction zones, continents and convective cells are agents, whose behavior is controlled by analytical and phenomenological laws. These agents are autonomous entities which collect information from their environment and interact with each other. The dynamics of the system is mainly based on a force balance on each plate, that accounts for slab pull, ridge push, bending dissipation and viscous convective drag. Insulating continents are accounted for. Tectonic processes such as trench migration, plate suturing or continental breakup are controlled by explicit parameterizations. A heat balance is used to compute Earth's thermal evolution as a function of seafloor age distribution. We thereby obtain an evolutive system where the geometry and the number of tectonic plates are not imposed but emerge naturally from its dynamical history. Our approach has a very low computational cost and allows us to study the effect of a wide range of input parameters on the long-term thermal evolution of the Earth. MACMA can thus be seen as a 'plate tectonics virtual laboratory'. We can test not only the effect of input parameters, such as mantle initial temperature and viscosity, initial plate tectonics configuration, number and geometry of continents etc., but also study the effect of the analytical and empirical rules that we are using to describe the system. These rules can be changed at any time, and MACMA is an evolutive tool that can easily integrate new behavioral laws. Even poorly understood processes, that cannot be accounted for with differential equations, can be studied with this virtual laboratory. For Earth-like input parameters, MACMA yields plate velocities and heat flux that are in good agreement with observations. The long-term thermal evolution of the Earth obtained with our model shows a slow monotonous decrease of mantle mean temperature, with a cooling rate of around 50-100 K per billion years, which is in good agreement with petrological and geochemical constraints. Heat flux and plate velocities show a more irregular evolution, because tectonic events, such as a continental breakup, give rise to abrupt changes in Earth's surface dynamics and heat loss. Therefore MACMA is a powerful tool to study in a systematic way the effect of local events (subduction initiation, continental breakup, ridge vanishing) on plate reorganizations and global surface dynamics.

Multiparameter behavioral profiling reveals distinct thermal response regimes in Caenorhabditis elegans

PubMed Central

2012-01-01

Background Responding to noxious stimuli by invoking an appropriate escape response is critical for survival of an organism. The sensations of small and large changes in temperature in most organisms have been studied separately in the context of thermotaxis and nociception, respectively. Here we use the nematode C. elegans to address the neurogenetic basis of responses to thermal stimuli over a broad range of intensities. Results C. elegans responds to aversive temperature by eliciting a stereotypical behavioral sequence. Upon sensation of the noxious stimulus, it moves backwards, turns and resumes forward movement in a new direction. In order to study the response of C. elegans to a broad range of noxious thermal stimuli, we developed a novel assay that allows simultaneous characterization of multiple aspects of escape behavior elicited by thermal pulses of increasing amplitudes. We exposed the laboratory strain N2, as well as 47 strains with defects in various aspects of nervous system function, to thermal pulses ranging from ΔT = 0.4°C to 9.1°C and recorded the resulting behavioral profiles. Conclusions Through analysis of the multidimensional behavioral profiles, we found that the combinations of molecules shaping avoidance responses to a given thermal pulse are unique. At different intensities of aversive thermal stimuli, these distinct combinations of molecules converge onto qualitatively similar stereotyped behavioral sequences. PMID:23114012

Synchronized Molecular-Dynamics simulation for thermal lubrication of a polymeric liquid between parallel plates

NASA Astrophysics Data System (ADS)

Yasuda, Shugo; Yamamoto, Ryoichi

2015-11-01

The Synchronized Molecular-Dynamics simulation which was recently proposed by authors is applied to the analysis of polymer lubrication between parallel plates. In the SMD method, the MD simulations are assigned to small fluid elements to calculate the local stresses and temperatures and are synchronized at certain time intervals to satisfy the macroscopic heat- and momentum-transport equations.The rheological properties and conformation of the polymer chains coupled with local viscous heating are investigated with a non-dimensional parameter, the Nahme-Griffith number, which is defined as the ratio of the viscous heating to the thermal conduction at the characteristic temperature required to sufficiently change the viscosity. The present simulation demonstrates that strong shear thinning and a transitional behavior of the conformation of the polymer chains are exhibited with a rapid temperature rise when the Nahme-Griffith number exceeds unity.The results also clarify that the reentrant transition of the linear stress-optical relation occurs for large shear stresses due to the coupling of the conformation of polymer chains with heat generation under shear flows. This study was financially supported by JSPS KAKENHI Grant Nos. 26790080 and 26247069.

Thermal conduction in particle packs via finite elements

NASA Astrophysics Data System (ADS)

Lechman, Jeremy B.; Yarrington, Cole; Erikson, William; Noble, David R.

2013-06-01

Conductive transport in heterogeneous materials composed of discrete particles is a fundamental problem for a number of applications. While analytical results and rigorous bounds on effective conductivity in mono-sized particle dispersions are well established in the literature, the methods used to arrive at these results often fail when the average size of particle clusters becomes large (i.e., near the percolation transition where particle contact networks dominate the bulk conductivity). Our aim is to develop general, efficient numerical methods that would allow us to explore this behavior and compare to a recent microstructural description of conduction in this regime. To this end, we present a finite element analysis approach to modeling heat transfer in granular media with the goal of predicting effective bulk thermal conductivities of particle-based heterogeneous composites. Our approach is verified against theoretical predictions for random isotropic dispersions of mono-disperse particles at various volume fractions up to close packing. Finally, we present results for the probability distribution of the effective conductivity in particle dispersions generated by Brownian dynamics, and suggest how this might be useful in developing stochastic models of effective properties based on the dynamical process involved in creating heterogeneous dispersions.

The physical hydrogeology of ore deposits

USGS Publications Warehouse

Ingebritsen, Steven E.; Appold, M.S.

2012-01-01

Hydrothermal ore deposits represent a convergence of fluid flow, thermal energy, and solute flux that is hydrogeologically unusual. From the hydrogeologic perspective, hydrothermal ore deposition represents a complex coupled-flow problem—sufficiently complex that physically rigorous description of the coupled thermal (T), hydraulic (H), mechanical (M), and chemical (C) processes (THMC modeling) continues to challenge our computational ability. Though research into these coupled behaviors has found only a limited subset to be quantitatively tractable, it has yielded valuable insights into the workings of hydrothermal systems in a wide range of geologic environments including sedimentary, metamorphic, and magmatic. Examples of these insights include the quantification of likely driving mechanisms, rates and paths of fluid flow, ore-mineral precipitation mechanisms, longevity of hydrothermal systems, mechanisms by which hydrothermal fluids acquire their temperature and composition, and the controlling influence of permeability and other rock properties on hydrothermal fluid behavior. In this communication we review some of the fundamental theory needed to characterize the physical hydrogeology of hydrothermal systems and discuss how this theory has been applied in studies of Mississippi Valley-type, tabular uranium, porphyry, epithermal, and mid-ocean ridge ore-forming systems. A key limitation in the computational state-of-the-art is the inability to describe fluid flow and transport fully in the many ore systems that show evidence of repeated shear or tensional failure with associated dynamic variations in permeability. However, we discuss global-scale compilations that suggest some numerical constraints on both mean and dynamically enhanced crustal permeability. Principles of physical hydrogeology can be powerful tools for investigating hydrothermal ore formation and are becoming increasingly accessible with ongoing advances in modeling software.

Theory of dynamic barriers, activated hopping, and the glass transition in polymer melts

NASA Astrophysics Data System (ADS)

Schweizer, Kenneth S.; Saltzman, Erica J.

2004-07-01

A statistical mechanical theory of collective dynamic barriers, slow segmental relaxation, and the glass transition of polymer melts is developed by combining, and in some aspects extending, methods of mode coupling, density functional, and activated hopping transport theories. A coarse-grained description of polymer chains is adopted and the melt is treated as a liquid of segments. The theory is built on the idea that collective density fluctuations on length scales considerably longer than the local cage scale are of primary importance in the deeply supercooled regime. The barrier hopping or segmental relaxation time is predicted to be a function primarily of a single parameter that is chemical structure, temperature, and pressure dependent. This parameter depends on the material-specific dimensionless amplitude of thermal density fluctuations (compressibility) and a reduced segmental density determined by the packing length and backbone characteristic ratio. Analytic results are derived for a crossover temperature Tc, collective barrier, and glass transition temperature Tg. The relation of these quantities to structural and thermodynamic properties of the polymer melt is established. A universal power-law scaling behavior of the relaxation time below Tc is predicted based on identification of a reduced temperature variable that quantifies the breadth of the supercooled regime. Connections between the ratio Tc/Tg, two measures of dynamic fragility, and the magnitude of the local relaxation time at Tg logically follow. Excellent agreement with experiment is found for these generic aspects, and the crucial importance of the experimentally observed near universality of the dynamic crossover time is established. Extensions of the theory to treat the full chain dynamics, heterogeneity, barrier fluctuations, and nonpolymeric thermal glass forming liquids are briefly discussed.

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

The Random Telegraph Signal Behavior of Intermittently Stuck Bits in SDRAMs

NASA Astrophysics Data System (ADS)

Chugg, Andrew Michael; Burnell, Andrew J.; Duncan, Peter H.; Parker, Sarah; Ward, Jonathan J.

2009-12-01

This paper reports behavior analogous to the Random Telegraph Signal (RTS) seen in the leakage currents from radiation induced hot pixels in Charge Coupled Devices (CCDs), but in the context of stuck bits in Synchronous Dynamic Random Access Memories (SDRAMs). Our analysis suggests that pseudo-random sticking and unsticking of the SDRAM bits is due to thermally induced fluctuations in leakage current through displacement damage complexes in depletion regions that were created by high-energy neutron and proton interactions. It is shown that the number of observed stuck bits increases exponentially with temperature, due to the general increase in the leakage currents through the damage centers with temperature. Nevertheless, some stuck bits are seen to pseudo-randomly stick and unstick in the context of a continuously rising trend of temperature, thus demonstrating that their damage centers can exist in multiple widely spaced, discrete levels of leakage current, which is highly consistent with RTS. This implies that these intermittently stuck bits (ISBs) are a displacement damage phenomenon and are unrelated to microdose issues, which is confirmed by the observation that they also occur in unbiased irradiation. Finally, we note that observed variations in the periodicity of the sticking and unsticking behavior on several timescales is most readily explained by multiple leakage current pathways through displacement damage complexes spontaneously and independently opening and closing under the influence of thermal vibrations.

Modeling the effects of the variability of temperature-related dynamic viscosity on the thermal-affected zone of groundwater heat-pump systems

NASA Astrophysics Data System (ADS)

Lo Russo, Stefano; Taddia, Glenda; Cerino Abdin, Elena

2018-06-01

Thermal perturbation in the subsurface produced in an open-loop groundwater heat pump (GWHP) plant is a complex transport phenomenon affected by several factors, including the exploited aquifer's hydrogeological and thermal characteristics, well construction features, and the temporal dynamics of the plant's groundwater abstraction and reinjection system. Hydraulic conductivity has a major influence on heat transport because plume propagation, which occurs primarily through advection, tends to degrade following conductive heat transport and convection within moving water. Hydraulic conductivity is, in turn, influenced by water reinjection because the dynamic viscosity of groundwater varies with temperature. This paper reports on a computational analysis conducted using FEFLOW software to quantify how the thermal-affected zone (TAZ) is influenced by the variation in dynamic viscosity due to reinjected groundwater in a well-doublet scheme. The modeling results demonstrate non-negligible groundwater dynamic-viscosity variation that affects thermal plume propagation in the aquifer. This influence on TAZ calculation was enhanced for aquifers with high intrinsic permeability and/or substantial temperature differences between abstracted and post-heat-pump-reinjected groundwater.

Modeling the effects of the variability of temperature-related dynamic viscosity on the thermal-affected zone of groundwater heat-pump systems

NASA Astrophysics Data System (ADS)

Lo Russo, Stefano; Taddia, Glenda; Cerino Abdin, Elena

2018-01-01

Thermal perturbation in the subsurface produced in an open-loop groundwater heat pump (GWHP) plant is a complex transport phenomenon affected by several factors, including the exploited aquifer's hydrogeological and thermal characteristics, well construction features, and the temporal dynamics of the plant's groundwater abstraction and reinjection system. Hydraulic conductivity has a major influence on heat transport because plume propagation, which occurs primarily through advection, tends to degrade following conductive heat transport and convection within moving water. Hydraulic conductivity is, in turn, influenced by water reinjection because the dynamic viscosity of groundwater varies with temperature. This paper reports on a computational analysis conducted using FEFLOW software to quantify how the thermal-affected zone (TAZ) is influenced by the variation in dynamic viscosity due to reinjected groundwater in a well-doublet scheme. The modeling results demonstrate non-negligible groundwater dynamic-viscosity variation that affects thermal plume propagation in the aquifer. This influence on TAZ calculation was enhanced for aquifers with high intrinsic permeability and/or substantial temperature differences between abstracted and post-heat-pump-reinjected groundwater.

Molecular dynamics simulation of thermal transport in UO 2 containing uranium, oxygen, and fission-product defects

DOE PAGES

Liu, Xiang -Yang; Cooper, Michael William D.; McClellan, Kenneth James; ...

2016-10-25

Uranium dioxide (UO 2) is the most commonly used fuel in light-water nuclear reactors and thermal conductivity controls the removal of heat produced by fission, thereby governing fuel temperature during normal and accident conditions. The use of fuel performance codes by the industry to predict operational behavior is widespread. A primary source of uncertainty in these codes is thermal conductivity, and optimized fuel utilization may be possible if existing empirical models are replaced with models that incorporate explicit thermal-conductivity-degradation mechanisms during fuel burn up. This approach is able to represent the degradation of thermal conductivity due to each individual defectmore » type, rather than the overall burn-up measure typically used, which is not an accurate representation of the chemical or microstructure state of the fuel that actually governs thermal conductivity and other properties. To generate a mechanistic thermal conductivity model, molecular dynamics (MD) simulations of UO 2 thermal conductivity including representative uranium and oxygen defects and fission products are carried out. These calculations employ a standard Buckingham-type interatomic potential and a potential that combines the many-body embedded-atom-method potential with Morse-Buckingham pair potentials. Potential parameters for UO 2+x and ZrO 2 are developed for the latter potential. Physical insights from the resonant phonon-spin-scattering mechanism due to spins on the magnetic uranium ions are introduced into the treatment of the MD results, with the corresponding relaxation time derived from existing experimental data. High defect scattering is predicted for Xe atoms compared to that of La and Zr ions. Uranium defects reduce the thermal conductivity more than oxygen defects. For each defect and fission product, scattering parameters are derived for application in both a Callaway model and the corresponding high-temperature model typically used in fuel-performance codes. The model is validated by comparison to low-temperature experimental measurements on single-crystal hyperstoichiometric UO 2+x samples and high-temperature literature data. Furthermore, this work will enable more accurate fuel-performance simulations and will extend to new fuel types and operating conditions, all of which improve the fuel economics of nuclear energy and maintain high fuel reliability and safety.« less

Molecular dynamics simulation of thermal transport in UO 2 containing uranium, oxygen, and fission-product defects

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

Liu, Xiang -Yang; Cooper, Michael William D.; McClellan, Kenneth James

Uranium dioxide (UO 2) is the most commonly used fuel in light-water nuclear reactors and thermal conductivity controls the removal of heat produced by fission, thereby governing fuel temperature during normal and accident conditions. The use of fuel performance codes by the industry to predict operational behavior is widespread. A primary source of uncertainty in these codes is thermal conductivity, and optimized fuel utilization may be possible if existing empirical models are replaced with models that incorporate explicit thermal-conductivity-degradation mechanisms during fuel burn up. This approach is able to represent the degradation of thermal conductivity due to each individual defectmore » type, rather than the overall burn-up measure typically used, which is not an accurate representation of the chemical or microstructure state of the fuel that actually governs thermal conductivity and other properties. To generate a mechanistic thermal conductivity model, molecular dynamics (MD) simulations of UO 2 thermal conductivity including representative uranium and oxygen defects and fission products are carried out. These calculations employ a standard Buckingham-type interatomic potential and a potential that combines the many-body embedded-atom-method potential with Morse-Buckingham pair potentials. Potential parameters for UO 2+x and ZrO 2 are developed for the latter potential. Physical insights from the resonant phonon-spin-scattering mechanism due to spins on the magnetic uranium ions are introduced into the treatment of the MD results, with the corresponding relaxation time derived from existing experimental data. High defect scattering is predicted for Xe atoms compared to that of La and Zr ions. Uranium defects reduce the thermal conductivity more than oxygen defects. For each defect and fission product, scattering parameters are derived for application in both a Callaway model and the corresponding high-temperature model typically used in fuel-performance codes. The model is validated by comparison to low-temperature experimental measurements on single-crystal hyperstoichiometric UO 2+x samples and high-temperature literature data. Furthermore, this work will enable more accurate fuel-performance simulations and will extend to new fuel types and operating conditions, all of which improve the fuel economics of nuclear energy and maintain high fuel reliability and safety.« less

MATCHED-INDEX-OF-REFRACTION FLOW FACILITY FOR FUNDAMENTAL AND APPLIED RESEARCH

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

Piyush Sabharwall; Carl Stoots; Donald M. McEligot

2014-11-01

Significant challenges face reactor designers with regard to thermal hydraulic design and associated modeling for advanced reactor concepts. Computational thermal hydraulic codes solve only a piece of the core. There is a need for a whole core dynamics system code with local resolution to investigate and understand flow behavior with all the relevant physics and thermo-mechanics. The matched index of refraction (MIR) flow facility at Idaho National Laboratory (INL) has a unique capability to contribute to the development of validated computational fluid dynamics (CFD) codes through the use of state-of-the-art optical measurement techniques, such as Laser Doppler Velocimetry (LDV) andmore » Particle Image Velocimetry (PIV). PIV is a non-intrusive velocity measurement technique that tracks flow by imaging the movement of small tracer particles within a fluid. At the heart of a PIV calculation is the cross correlation algorithm, which is used to estimate the displacement of particles in some small part of the image over the time span between two images. Generally, the displacement is indicated by the location of the largest peak. To quantify these measurements accurately, sophisticated processing algorithms correlate the locations of particles within the image to estimate the velocity (Ref. 1). Prior to use with reactor deign, the CFD codes have to be experimentally validated, which requires rigorous experimental measurements to produce high quality, multi-dimensional flow field data with error quantification methodologies. Computational thermal hydraulic codes solve only a piece of the core. There is a need for a whole core dynamics system code with local resolution to investigate and understand flow behavior with all the relevant physics and thermo-mechanics. Computational techniques with supporting test data may be needed to address the heat transfer from the fuel to the coolant during the transition from turbulent to laminar flow, including the possibility of an early laminarization of the flow (Refs. 2 and 3) (laminarization is caused when the coolant velocity is theoretically in the turbulent regime, but the heat transfer properties are indicative of the coolant velocity being in the laminar regime). Such studies are complicated enough that computational fluid dynamics (CFD) models may not converge to the same conclusion. Thus, experimentally scaled thermal hydraulic data with uncertainties should be developed to support modeling and simulation for verification and validation activities. The fluid/solid index of refraction matching technique allows optical access in and around geometries that would otherwise be impossible while the large test section of the INL system provides better spatial and temporal resolution than comparable facilities. Benchmark data for assessing computational fluid dynamics can be acquired for external flows, internal flows, and coupled internal/external flows for better understanding of physical phenomena of interest. The core objective of this study is to describe MIR and its capabilities, and mention current development areas for uncertainty quantification, mainly the uncertainty surface method and cross-correlation method. Using these methods, it is anticipated to establish a suitable approach to quantify PIV uncertainty for experiments performed in the MIR.« less

Modeling and simulation framework for dynamic strain localization in elasto-viscoplastic metallic materials subject to large deformations

DOE PAGES

Mourad, Hashem Mourad; Bronkhorst, Curt Allan; Livescu, Veronica; ...

2016-09-23

This study describes a theoretical and computational framework for the treatment of adiabatic shear band formation in rate-sensitive polycrystalline metallic materials. From a computational perspective, accurate representation of strain localization behavior has been a long-standing challenge. In addition, the underlying physical mechanisms leading to the localization of plastic deformation are still not fully understood. The proposed framework is built around an enhanced-strain finite element formulation, designed to alleviate numerical pathologies known to arise in localization problems, by allowing a localization band of given finite width (weak discontinuity) to be embedded within individual elements. The mechanical threshold strength (MTS) model ismore » used to represent the temperature and strain rate-dependent viscoplastic response of the material. This classical flow stress model employs an internal state variable to quantify the effect of dislocation structure evolution (work hardening and recovery). In light of growing evidence suggesting that the softening effect of dynamic recrystallization may play a significant role, alongside thermal softening, in the process of shear band formation and growth, a simple dynamic recrystallization model is proposed and cast within the context of the MTS model with the aid of the aforementioned internal state variable. An initiation criterion for shear localization in rate and temperature-sensitive materials is introduced and used in the present context of high-rate loading, where material rate-dependence is pronounced and substantial temperature increases are achieved due to the dissipative nature of viscoplastic processes. In addition, explicit time integration is adopted to facilitate treatment of the dynamic problems under consideration, where strain rates in excess of 10 4 s –1 are typically attained. Two series of experiments are conducted on AISI 316L stainless steel, employing the commonly used top-hat sample geometry and the Split-Hopkinson Pressure Bar dynamic test system. Axi-symmetric finite element simulation results are compared to cross-sectional micrographs of recovered samples and experimental load–displacement results, in order to examine the performance of the proposed framework and demonstrate its effectiveness in treating the initiation and growth of adiabatic shear banding in dynamically loaded metallic materials. These comparisons demonstrate that thermal softening alone is insufficient to induce shear localization behaviors observed in some materials, such as stainless steel, and support the hypothesis that dynamic recrystallization and/or other softening mechanisms play an essential role in this process.« less

Thouless energy and multifractality across the many-body localization transition

NASA Astrophysics Data System (ADS)

Serbyn, Maksym; Papić, Z.; Abanin, Dmitry A.

2017-09-01

Thermal and many-body localized phases are separated by a dynamical phase transition of a new kind. We analyze the distribution of off-diagonal matrix elements of local operators across this transition in two different models of disordered spin chains. We show that the behavior of matrix elements can be used to characterize the breakdown of thermalization and to extract the many-body Thouless energy. We find that upon increasing the disorder strength the system enters a critical region around the many-body localization transition. The properties of the system in this region are: (i) the Thouless energy becomes smaller than the level spacing, (ii) the matrix elements show critical dependence on the energy difference, and (iii) the matrix elements, viewed as amplitudes of a fictitious wave function, exhibit strong multifractality. This critical region decreases with the system size, which we interpret as evidence for a diverging correlation length at the many-body localization transition. Our findings show that the correlation length becomes larger than the accessible system sizes in a broad range of disorder strength values and shed light on the critical behavior near the many-body localization transition.

The viscoelastic characterization of polymer materials exposed to the low-Earth orbit environment

NASA Technical Reports Server (NTRS)

Strganac, Thomas; Letton, Alan

1992-01-01

Recent accomplishments in our research efforts have included the successful measurement of the thermal mechanical properties of polymer materials exposed to the low-earth orbit environment. In particular, viscoelastic properties were recorded using the Rheometrics Solids Analyzer (RSA 2). Dynamic moduli (E', the storage component of the elastic modulus, and E'', the loss component of the elastic modulus) were recorded over three decades of frequency (0.1 to 100 rad/sec) for temperatures ranging from -150 to 150 C. Although this temperature range extends beyond the typical use range of the materials, measurements in this region are necessary in the development of complete viscoelastic constitutive models. The experimental results were used to provide the stress relaxation and creep compliance performance characteristics through viscoelastic correspondence principles. Our results quantify the differences between exposed and control polymer specimens. The characterization is specifically designed to elucidate a constitutive model that accurately predicts the change in behavior of these materials due to exposure. The constitutive model for viscoelastic behavior reflects the level of strain, the rate of strain, and the history of strain as well as the thermal history of the material.

Diel horizontal migration in streams: juvenile fish exploit spatial heterogeneity in thermal and trophic resources

USGS Publications Warehouse

Armstrong, Jonathan B.; Schindler, Daniel E.; Ruff, Casey P.; Brooks, Gabriel T.; Bentley, Kale E.; Torgersen, Christian E.

2013-01-01

Vertical heterogeneity in the physical characteristics of lakes and oceans is ecologically salient and exploited by a wide range of taxa through diel vertical migration to enhance their growth and survival. Whether analogous behaviors exploit horizontal habitat heterogeneity in streams is largely unknown. We investigated fish movement behavior at daily timescales to explore how individuals integrated across spatial variation in food abundance and water temperature. Juvenile coho salmon made feeding forays into cold habitats with abundant food, and then moved long distances (350–1300 m) to warmer habitats that accelerated their metabolism and increased their assimilative capacity. This behavioral thermoregulation enabled fish to mitigate trade-offs between trophic and thermal resources by exploiting thermal heterogeneity. Fish that exploited thermal heterogeneity grew at substantially faster rates than did individuals that assumed other behaviors. Our results provide empirical support for the importance of thermal diversity in lotic systems, and emphasize the importance of considering interactions between animal behavior and habitat heterogeneity when managing and restoring ecosystems.

Late-instar Behavior of Aedes aegypti (Diptera: Culicidae) Larvae in Different Thermal and Nutritive Environments.

PubMed

Reiskind, Michael H; Janairo, M Shawn

2015-09-01

The effects of temperature on ectotherm growth have been well documented. How temperature affects foraging behavior is less well explored, and has not been studied in larval mosquitoes. We hypothesized that temperature changes foraging behavior in the aquatic larval phase of the mosquito, Aedes aegypti L. Based on empirical results in other systems, we predicted that foraging effort would increase at higher temperatures in these insects. We tested this prediction over three temperature conditions at two food levels. We measured behaviors by video recording replicated cohorts of fourth-instar mosquitoes and assessing individual behavior and time budgets using an ethogram. We found both food level and temperature had significant impacts on larval foraging behavior, with more time spent actively foraging at low food levels and at low temperatures, and more occurrences of active foraging at both temperature extremes. These results are contrary to some of our predictions, but fit into theoretical responses to temperature based upon dynamic energy budget models. © The Authors 2015. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Thermal diffusivity determination using heterodyne phase insensitive transient grating spectroscopy

NASA Astrophysics Data System (ADS)

Dennett, Cody A.; Short, Michael P.

2018-06-01

The elastic and thermal transport properties of opaque materials may be measured using transient grating spectroscopy (TGS) by inducing and monitoring periodic excitations in both reflectivity and surface displacement. The "phase grating" response encodes both properties of interest, but complicates quantitative analysis by convolving temperature dynamics with surface displacement dynamics. Thus, thermal transport characteristics are typically determined using the "amplitude grating" response to isolate the surface temperature dynamics. However, this signal character requires absolute heterodyne phase calibration and contains no elastic property information. Here, a method is developed by which phase grating TGS measurements may be consistently analyzed to determine thermal diffusivity with no prior knowledge of the expected properties. To demonstrate this ability, the wavelength-dependent 1D effective thermal diffusivity of pure germanium is measured using this type of response and found to be consistent with theoretical predictions made by solving the Boltzmann transport equation. This ability to determine the elastic and thermal properties from a single set of TGS measurements will be particularly advantageous for new in situ implementations of the technique being used to study dynamic materials systems.

Thermal evaluation of advanced solar dynamic heat receiver performance

NASA Technical Reports Server (NTRS)

Crane, Roger A.

1989-01-01

The thermal performance of a variety of concepts for thermal energy storage as applied to solar dynamic applications is discussed. It is recognized that designs providing large thermal gradients or large temperature swings during orbit are susceptible to early mechanical failure. Concepts incorporating heat pipe technology may encounter operational limitations over sufficiently large ranges. By reviewing the thermal performance of basic designs, the relative merits of the basic concepts are compared. In addition the effect of thermal enhancement and metal utilization as applied to each design provides a partial characterization of the performance improvements to be achieved by developing these technologies.

Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture

NASA Astrophysics Data System (ADS)

Mozafari, Elham; Alling, Björn; Belov, Maxim P.; Abrikosov, Igor A.

2018-01-01

Using the disordered local moments approach in combination with the ab initio molecular dynamics method, we simulate the behavior of a paramagnetic phase of NiO at finite temperatures to investigate the effect of magnetic disorder, thermal expansion, and lattice vibrations on its electronic structure. In addition, we study its lattice dynamics. We verify the reliability of our theoretical scheme via comparison of our results with available experiment and earlier theoretical studies carried out within static approximations. We present the phonon dispersion relations for the paramagnetic rock-salt (B1) phase of NiO and demonstrate that it is dynamically stable. We observe that including the magnetic disorder to simulate the paramagnetic phase has a small yet visible effect on the band gap. The amplitude of the local magnetic moment of Ni ions from our calculations for both antiferromagnetic and paramagnetic phases agree well with other theoretical and experimental values. We demonstrate that the increase of temperature up to 1000 K does not affect the electronic structure strongly. Taking into account the lattice vibrations and thermal expansion at higher temperatures have a major impact on the electronic structure, reducing the band gap from ˜3.5 eV at 600 K to ˜2.5 eV at 2000 K. We conclude that static lattice approximations can be safely employed in simulations of the paramagnetic state of NiO up to relatively high temperatures (˜1000 K), but as we get closer to the melting temperature vibrational effects become quite large and therefore should be included in the calculations.

A study of nonlinear dynamics of single- and two-phase flow oscillations

NASA Astrophysics Data System (ADS)

Mawasha, Phetolo Ruby

The dynamics of single- and two-phase flows in channels can be contingent on nonlinearities which are not clearly understood. These nonlinearities could be interfacial forces between the flowing fluid and its walls, variations in fluid properties, growth of voids, etc. The understanding of nonlinear dynamics of fluid flow is critical in physical systems which can undergo undesirable system operating scenarios such an oscillatory behavior which may lead to component failure. A nonlinear lumped mathematical model of a surge tank with a constant inlet flow into the tank and an outlet flow through a channel is derived from first principles. The model is used to demonstrate that surge tanks with inlet and outlet flows contribute to oscillatory behavior in laminar, turbulent, single-phase, and two-phase flow systems. Some oscillations are underdamped while others are self-sustaining. The mechanisms that are active in single-phase oscillations with no heating are presented using specific cases of simplified models. Also, it is demonstrated how an external mechanism such as boiling contributes to the oscillations observed in two-phase flow and gives rise to sustained oscillations (or pressure drop oscillations). A description of the pressure drop oscillation mechanism is presented using the steady state pressure drop versus mass flow rate characteristic curve of the heated channel, available steady state pressure drop versus mass flow rate from the surge tank, and the transient pressure drop versus mass flow rate limit cycle. Parametric studies are used to verify the theoretical pressure drop oscillations model using experimental data by Yuncu's (1990). The following contributions are unique: (1) comparisons of nonlinear pressure drop oscillation models with and without the effect of the wall thermal heat capacity and (2) comparisons of linearized pressure drop oscillation models with and without the effect of the wall thermal heat capacity to identify stability boundaries.

Modal analysis of the thermal conductivity of nanowires: examining unique thermal transport features.

PubMed

Samaraweera, Nalaka; Larkin, Jason M; Chan, Kin L; Mithraratne, Kumar

2018-06-06

In this study, unique thermal transport features of nanowires over bulk materials are investigated using a combined analysis based on lattice dynamics and equilibrium molecular dynamics (EMD). The evaluation of the thermal conductivity (TC) of Lenard-Jones nanowires becomes feasible due to the multi-step normal mode decomposition (NMD) procedure implemented in the study. A convergence issue of the TC of nanowires is addressed by the NMD implementation for two case studies, which employ pristine nanowires (PNW) and superlattice nanowires. Interestingly, mode relaxation times at low frequencies of acoustic branches exhibit signs of approaching constant values, thus indicating the convergence of TC. The TC evaluation procedure is further verified by implementing EMD-based Green-Kubo analysis, which is based on a fundamentally different physical perspective. Having verified the NMD procedure, the non-monotonic trend of the TC of nanowires is addressed. It is shown that the principal cause for the observed trend is due to the competing effects of long wavelength phonons and phonon-surface scatterings as the nanowire's cross-sectional width is changed. A computational procedure is developed to decompose the different modal contribution to the TC of shell alloy nanowires (SANWs) using virtual crystal NMD and the Allen-Feldman theory. Several important conclusions can be drawn from the results. A propagons to non-propagons boundary appeared, resulting in a cut-off frequency (ω cut ); moreover, as alloy atomic mass is increased, ω cut shifts to lower frequencies. The existence of non-propagons partly causes the low TC of SANWs. It can be seen that modes with low frequencies demonstrate a similar behavior to corresponding modes of PNWs. Moreover, lower group velocities associated with higher alloy atomic mass resulted in a lower TC of SANWs.

Modal analysis of the thermal conductivity of nanowires: examining unique thermal transport features

NASA Astrophysics Data System (ADS)

Samaraweera, Nalaka; Larkin, Jason M.; Chan, Kin L.; Mithraratne, Kumar

2018-06-01

In this study, unique thermal transport features of nanowires over bulk materials are investigated using a combined analysis based on lattice dynamics and equilibrium molecular dynamics (EMD). The evaluation of the thermal conductivity (TC) of Lenard–Jones nanowires becomes feasible due to the multi-step normal mode decomposition (NMD) procedure implemented in the study. A convergence issue of the TC of nanowires is addressed by the NMD implementation for two case studies, which employ pristine nanowires (PNW) and superlattice nanowires. Interestingly, mode relaxation times at low frequencies of acoustic branches exhibit signs of approaching constant values, thus indicating the convergence of TC. The TC evaluation procedure is further verified by implementing EMD-based Green–Kubo analysis, which is based on a fundamentally different physical perspective. Having verified the NMD procedure, the non-monotonic trend of the TC of nanowires is addressed. It is shown that the principal cause for the observed trend is due to the competing effects of long wavelength phonons and phonon–surface scatterings as the nanowire’s cross-sectional width is changed. A computational procedure is developed to decompose the different modal contribution to the TC of shell alloy nanowires (SANWs) using virtual crystal NMD and the Allen–Feldman theory. Several important conclusions can be drawn from the results. A propagons to non-propagons boundary appeared, resulting in a cut-off frequency (ω cut); moreover, as alloy atomic mass is increased, ω cut shifts to lower frequencies. The existence of non-propagons partly causes the low TC of SANWs. It can be seen that modes with low frequencies demonstrate a similar behavior to corresponding modes of PNWs. Moreover, lower group velocities associated with higher alloy atomic mass resulted in a lower TC of SANWs.

Thermal expansion behavior study of Co nanowire array with in situ x-ray diffraction and x-ray absorption fine structure techniques

NASA Astrophysics Data System (ADS)

Mo, Guang; Cai, Quan; Jiang, Longsheng; Wang, Wei; Zhang, Kunhao; Cheng, Weidong; Xing, Xueqing; Chen, Zhongjun; Wu, Zhonghua

2008-10-01

In situ x-ray diffraction and x-ray absorption fine structure techniques were used to study the structural change of ordered Co nanowire array with temperature. The results show that the Co nanowires are polycrystalline with hexagonal close packed structure without phase change up until 700 °C. A nonlinear thermal expansion behavior has been found and can be well described by a quadratic equation with the first-order thermal expansion coefficient of 4.3×10-6/°C and the second-order thermal expansion coefficient of 5.9×10-9/°C. The mechanism of this nonlinear thermal expansion behavior is discussed.

Investigation of transient thermal dissipation in thinned LSI for advanced packaging

NASA Astrophysics Data System (ADS)

Araga, Yuuki; Shimamoto, Haruo; Melamed, Samson; Kikuchi, Katsuya; Aoyagi, Masahiro

2018-04-01

Thinning of LSI is necessary for superior form factor and performance in dense cutting-edge packaging technologies. At the same time, degradation of thermal characteristics caused by the steep thermal gradient on LSIs with thinned base silicon is a concern. To manage a thermal environment in advanced packages, thermal characteristics of the thinned LSIs must be clarified. In this study, static and dynamic thermal dissipations were analyzed before and after thinning silicon to determine variations of thermal characteristics in thinned LSI. Measurement results revealed that silicon thinning affects dynamic thermal characteristics as well as static one. The transient variations of thermal characteristics of thinned LSI are precisely verified by analysis using an equivalent model based on the thermal network method. The results of analysis suggest that transient thermal characteristics can be easily estimated by employing the equivalent model.

Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.

PubMed

van der Lee, Arie; Roche, Gilles H; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J; Filhol, Jean-Sébastien

2018-04-28

Thermal expansion coefficients of most materials are usually small, typically up to 50 parts per million per kelvin, and positive, i.e. materials expand when heated. Some materials show an atypical shrinking behavior in one or more crystallographic directions when heated. Here we show that a high mobility thiophene-based organic semiconductor, BHH-BTBT , has an exceptionally large negative expansion between 95 and 295 K (-216 < α 2 = α b < -333 MK -1 ), being compensated by an even larger positive expansion in the perpendicular direction (287 < α 1 < 634 MK -1 ). It is shown that these anomalous expansivities are completely absent in C8-BTBT , a much studied organic semiconductor with a closely related molecular formula and 3D crystallographic structure. Complete theoretical characterization of BHH-BTBT using ab initio molecular dynamics shows that below ∼200 K two different α and β domains exist of which one is dominant but which dynamically exchange around and above 210 K. A supercritical-like transition from an α dominated phase to a β dominated phase is observed using DSC measurements, UV-VIS spectroscopy, and X-ray diffraction. The origin of the extreme negative and positive thermal expansion is related to steric hindrance between adjacent tilted thiophene units and strongly enhanced by attractive S···S and S···C interactions within the highly anharmonic mixed-domain phase. This material could trigger the tailoring of optoelectronic devices highly sensitive to strain and temperature.

Dynamic properties of polydisperse colloidal particles in the presence of thermal gradient studied by a modified Brownian dynamic model

NASA Astrophysics Data System (ADS)

Song, Dongxing; Jin, Hui; Jing, Dengwei; Wang, Xin

2018-03-01

Aggregation and migration of colloidal particles under the thermal gradient widely exists in nature and many industrial processes. In this study, dynamic properties of polydisperse colloidal particles in the presence of thermal gradient were studied by a modified Brownian dynamic model. Other than the traditional forces on colloidal particles, including Brownian force, hydrodynamic force, and electrostatic force from other particles, the electrostatic force from the asymmetric ionic diffusion layer under a thermal gradient has been considered and introduced into the Brownian dynamic model. The aggregation ratio of particles (R A), the balance time (t B) indicating the time threshold when {{R}A} becomes constant, the porosity ({{P}BA} ), fractal dimension (D f) and distributions of concentration (DISC) and aggregation (DISA) for the aggregated particles were discussed based on this model. The aggregated structures formed by polydisperse particles are less dense and the particles therein are loosely bonded. Also it showed a quite large compressibility as the increases of concentration and interparticle potential can significantly increase the fractal dimension. The thermal gradient can induce two competitive factors leading to a two-stage migration of particles. When t<{{t}B} , the unsynchronized aggregation is dominant and the particles slightly migrate along the thermal gradient. When t>{{t}B} , the thermophoresis becomes dominant thus the migrations of particles are against the thermal gradient. The effect of thermophoresis on the aggregate structures was found to be similar to the effect of increasing particle concentration. This study demonstrates how the thermal gradient affects the aggregation of monodisperse and polydisperse particles and can be a guide for the biomimetics and precise control of colloid system under the thermal gradient. Moreover, our model can be easily extended to other more complex colloidal systems considering shear, temperature fluctuation, surfactant, etc.

Influence of defects on the thermal conductivity of compressed LiF

DOE PAGES

Jones, R. E.; Ward, D. K.

2018-02-08

We report defect formation in LiF, which is used as an observation window in ramp and shock experiments, has significant effects on its transmission properties. Given the extreme conditions of the experiments it is hard to measure the change in transmission directly. Using molecular dynamics, we estimate the change in conductivity as a function of the concentration of likely point and extended defects using a Green-Kubo technique with careful treatment of size effects. With this data, we form a model of the mean behavior and its estimated error; then, we use this model to predict the conductivity of a largemore » sample of defective LiF resulting from a direct simulation of ramp compression as a demonstration of the accuracy of its predictions. Given estimates of defect densities in a LiF window used in an experiment, the model can be used to correct the observations of thermal energy through the window. Also, the methodology we develop is extensible to modeling, with quantified uncertainty, the effects of a variety of defects on the thermal conductivity of solid materials.« less

Investigating physical field effects on the size-dependent dynamic behavior of inhomogeneous nanoscale plates

NASA Astrophysics Data System (ADS)

Ebrahimi, Farzad; Reza Barati, Mohammad

2017-02-01

This article investigates the thermo-mechanical vibration frequencies of magneto-electro-thermo-elastic functionally graded (METE-FG) nanoplates in the framework of refined four-unknown shear deformation plate theory. The present nanoplate is subjected to various kinds of thermal loads with uniform, linear and nonlinear distributions. The nonlinear distribution is considered as heat conduction and sinusoidal temperature rise. The present refined theory captures the influences of shear deformations without the need for shear correction factors. Thermo-magneto-electro-elastic coefficients of the FG nanoplate vary gradually along the thickness according to the power-law form. The scale coefficient is taken into consideration implementing the nonlocal elasticity of Eringen. The governing equations are derived through Hamilton's principle and are solved analytically. The frequency response is compared with those of previously published data. The obtained results are presented for the thermo-mechanical vibrations of the FG nanobeams to investigate the effects of material graduation, nonlocal parameter, mode number, slenderness ratio and thermal loading in detail. The present study is associated to aerospace, mechanical and nuclear engineering structures which are under thermal loads.

Influence of defects on the thermal conductivity of compressed LiF

NASA Astrophysics Data System (ADS)

Jones, R. E.; Ward, D. K.

2018-02-01

Defect formation in LiF, which is used as an observation window in ramp and shock experiments, has significant effects on its transmission properties. Given the extreme conditions of the experiments it is hard to measure the change in transmission directly. Using molecular dynamics, we estimate the change in conductivity as a function of the concentration of likely point and extended defects using a Green-Kubo technique with careful treatment of size effects. With this data, we form a model of the mean behavior and its estimated error; then, we use this model to predict the conductivity of a large sample of defective LiF resulting from a direct simulation of ramp compression as a demonstration of the accuracy of its predictions. Given estimates of defect densities in a LiF window used in an experiment, the model can be used to correct the observations of thermal energy through the window. In addition, the methodology we develop is extensible to modeling, with quantified uncertainty, the effects of a variety of defects on the thermal conductivity of solid materials.

An analysis of thermal stress and gas bending effects on vibrations of compressor rotor stages. [blade torsional rigidity

NASA Technical Reports Server (NTRS)

Chen, L.-T.; Dugundji, J.

1979-01-01

A preliminary study conducted by Kerrebrock et al. (1976) has shown that the torsional rigidity of untwisted thin blades of a transonic compressor can be reduced significantly by transient thermal stresses. The aerodynamic loads have various effects on blade vibration. One effect is that gas bending loads may result in a bending-torsion coupling which may change the characteristics of the torsion and bending vibration of the blade. For a general study of transient-temperature distribution within a rotor stage, a finite-element heat-conduction analysis was developed. The blade and shroud are divided into annular elements. With a temperature distribution obtained from the heat-conduction analysis and a prescribed gas bending load distribution along the blade span, the static deformation and moment distributions of the blade can be solved iteratively using the finite-element method. The reduction of the torsional rigidity of pretwisted blades caused by the thermal stress effect is then computed. The dynamic behavior of the blade is studied by a modified Galerkin's method.

Influence of defects on the thermal conductivity of compressed LiF

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

Jones, R. E.; Ward, D. K.

We report defect formation in LiF, which is used as an observation window in ramp and shock experiments, has significant effects on its transmission properties. Given the extreme conditions of the experiments it is hard to measure the change in transmission directly. Using molecular dynamics, we estimate the change in conductivity as a function of the concentration of likely point and extended defects using a Green-Kubo technique with careful treatment of size effects. With this data, we form a model of the mean behavior and its estimated error; then, we use this model to predict the conductivity of a largemore » sample of defective LiF resulting from a direct simulation of ramp compression as a demonstration of the accuracy of its predictions. Given estimates of defect densities in a LiF window used in an experiment, the model can be used to correct the observations of thermal energy through the window. Also, the methodology we develop is extensible to modeling, with quantified uncertainty, the effects of a variety of defects on the thermal conductivity of solid materials.« less

Quench dynamics of one-dimensional interacting bosons in a disordered potential: elastic dephasing and critical speeding-up of thermalization.

PubMed

Tavora, Marco; Rosch, Achim; Mitra, Aditi

2014-07-04

The dynamics of interacting bosons in one dimension following the sudden switching on of a weak disordered potential is investigated. On time scales before quasiparticles scatter (prethermalized regime), the dephasing from random elastic forward scattering causes all correlations to decay exponentially fast, but the system remains far from thermal equilibrium. For longer times, the combined effect of disorder and interactions gives rise to inelastic scattering and to thermalization. A novel quantum kinetic equation accounting for both disorder and interactions is employed to study the dynamics. Thermalization turns out to be most effective close to the superfluid-Bose-glass critical point where nonlinearities become more and more important. The numerically obtained thermalization times are found to agree well with analytic estimates.

Effect of water washing on the thermal behavior of rice straw.

PubMed

Said, N; Bishara, T; García-Maraver, A; Zamorano, M

2013-11-01

Rice straw can be used as a renewable fuel for heat and power generation. It is a viable mean of replacing fossil fuels and preventing pollution caused by open burning, especially in the areas where this residual biomass is generated. Nevertheless, the thermal conversion of rice straw can cause some operating problems such as slag formation, which negatively affects thermal conversion systems. So, the main objective of this research is studying the combustion behavior of rice straw samples collected from various regions by applying thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). In addition, the thermal behavior of ashes from rice straw was also analyzed in order to detect their melting points, and ash sintering was detected at different temperatures within the range between 550 and 1000°C. Since washing rice straw with water could reduce the content of undesirable inorganic compounds related to the ash fusibility, samples of washed rice straw were analyzed under combustion conditions to investigate its differences regarding the thermal behavior of rice straw. The results showed that rice straw washing led to a significant improvement in its thermal behavior, since it reduced the ash contents and sintering formation. Copyright © 2013 Elsevier Ltd. All rights reserved.

Three-dimensional fully-coupled electrical and thermal transport model of dynamic switching in oxide memristors

DOE PAGES

Gao, Xujiao; Mamaluy, Denis; Mickel, Patrick R.; ...

2015-09-08

In this paper, we present a fully-coupled electrical and thermal transport model for oxide memristors that solves simultaneously the time-dependent continuity equations for all relevant carriers, together with the time-dependent heat equation including Joule heating sources. The model captures all the important processes that drive memristive switching and is applicable to simulate switching behavior in a wide range of oxide memristors. The model is applied to simulate the ON switching in a 3D filamentary TaOx memristor. Simulation results show that, for uniform vacancy density in the OFF state, vacancies fill in the conduction filament till saturation, and then fill outmore » a gap formed in the Ta electrode during ON switching; furthermore, ON-switching time strongly depends on applied voltage and the ON-to-OFF current ratio is sensitive to the filament vacancy density in the OFF state.« less

Tailored benzoxazines as novel resin systems for printed circuit boards in high temperature e-mobility applications

NASA Astrophysics Data System (ADS)

Troeger, K.; Darka, R. Khanpour; Neumeyer, T.; Altstaedt, V.

2014-05-01

This study focuses on the development of Bisphenol-F-benzoxazine resins blended with different ratios of a trifunctional epoxy resin suitable as matrix for substrates for high temperature printed circuit board (HT-PCB) applications. With the benzoxazine blends glass transition temperatures of more than 190 °C could be achieved in combination with a coefficient of thermal expansion in thickness direction (z-CTE) of less than 60 ppm/K without adding any fillers. This shows the high potential of the benzoxazine-epoxy blend systems as substrate materials for HT-PCBs. To understand the thermal behavior of the different formulations, the apparent crosslink density was calculated based on data from Dynamic Mechanical Analysis. Laminates in laboratory scale were prepared and characterized to demonstrate the transformation of the neat resin properties into real electronic substrate properties. The produced laminates exhibit a z-CTE below 40 ppm/K.

Mathematical modeling and simulation of a thermal system

NASA Astrophysics Data System (ADS)

Toropoc, Mirela; Gavrila, Camelia; Frunzulica, Rodica; Toma, Petrica D.

2016-12-01

The aim of the present paper is the conception of a mathematical model and simulation of a system formed by a heatexchanger for domestic hot water preparation, a storage tank for hot water and a radiator, starting from the mathematical equations describing this system and developed using Scilab-Xcos program. The model helps to determine the evolution in time for the hot water temperature, for the return temperature in the primary circuit of the heat exchanger, for the supply temperature in the secondary circuit, the thermal power for heating and for hot water preparation to the consumer respectively. In heating systems, heat-exchangers have an important role and their performances influence the energy efficiency of the systems. In the meantime, it is very important to follow the behavior of such systems in dynamic regimes. Scilab-Xcos program can be utilized to follow the important parameters of the systems in different functioning scenarios.

Tailored benzoxazines as novel resin systems for printed circuit boards in high temperature e-mobility applications

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

Troeger, K., E-mail: altstaedt@uni-bayreuth.de; Darka, R. Khanpour, E-mail: altstaedt@uni-bayreuth.de; Neumeyer, T., E-mail: altstaedt@uni-bayreuth.de

2014-05-15

This study focuses on the development of Bisphenol-F-benzoxazine resins blended with different ratios of a trifunctional epoxy resin suitable as matrix for substrates for high temperature printed circuit board (HT-PCB) applications. With the benzoxazine blends glass transition temperatures of more than 190 °C could be achieved in combination with a coefficient of thermal expansion in thickness direction (z-CTE) of less than 60 ppm/K without adding any fillers. This shows the high potential of the benzoxazine-epoxy blend systems as substrate materials for HT-PCBs. To understand the thermal behavior of the different formulations, the apparent crosslink density was calculated based on datamore » from Dynamic Mechanical Analysis. Laminates in laboratory scale were prepared and characterized to demonstrate the transformation of the neat resin properties into real electronic substrate properties. The produced laminates exhibit a z-CTE below 40 ppm/K.« less

Glycerol, trehalose and glycerol-trehalose mixture effects on thermal stabilization of OCT

NASA Astrophysics Data System (ADS)

Barreca, D.; Laganà, G.; Magazù, S.; Migliardo, F.; Bellocco, E.

2013-10-01

The stabilization effects of trehalose, glycerol and their mixtures on ornithine carbamoyltransferase catalytic activity has been studied as a function of temperature by complementary techniques. The obtained results show that the kinematic viscosities of trehalose (1.0 M) and protein mixture are higher than the one of glycerol plus protein. Changing the trehalose/glycerol ratio, we notice a decrease of the kinematic viscosity values at almost all the analyzed ratio. In particular, the solution composed of 95% trehalose-5% glycerol shows a peculiar behavior. Moreover the trehalose (1.0 M) solution shows the higher OCT thermal stabilization at 343 K, while all the other solutions show minor effects. The smallest stabilizing effect is revealed for the solution that shows the maximum kinematic viscosity. These results support Inelastic Neutron Scattering (INS) and Quasi Elastic Neutron Scattering (QENS) findings, which pointed out a slowing down of the relaxation and diffusive dynamics in some investigated samples.

Prethermal time crystals in a one-dimensional periodically driven Floquet system

NASA Astrophysics Data System (ADS)

Zeng, Tian-Sheng; Sheng, D. N.

2017-09-01

Motivated by experimental observations of time-symmetry breaking behavior in a periodically driven (Floquet) system, we study a one-dimensional spin model to explore the stability of such Floquet discrete time crystals (DTCs) under the interplay between interaction and the microwave driving. For intermediate interactions and high drivings, from the time evolution of both stroboscopic spin polarization and mutual information between two ends, we show that Floquet DTCs can exist in a prethermal time regime without the tuning of strong disorder. For much weak interactions the system is a symmetry-unbroken phase, while for strong interactions it gives its way to a thermal phase. Through analyzing the entanglement dynamics, we show that large driving fields protect the prethermal DTCs from many-body localization and thermalization. Our results suggest that by increasing the spin interaction, one can drive the experimental system into optimal regime for observing a robust prethermal DTC phase.

Characterization of ethyl cellulose polymer.

PubMed

Mahnaj, Tazin; Ahmed, Salah U; Plakogiannis, Fotios M

2013-01-01

Ethyl cellulose (EC) polymer was characterized for its property before considering the interactions with the plasicizer. Ethocel Std.10 FP Premium from Dow chemical company USA was tested for its solubility, morphology and thermal properties. Seven percentage of EC solution in ethanol was found to be the right viscosity used to prepare the film. The EC polymer and EC film without any plasticizers showed almost identical thermal behavior, but in X-ray diffraction showed different arrangements of crystallites and amorphous region. Dynamic mechanical analysis of film showed that without a plasticizer, EC film was not flexible and had very low elongation with high applied force. The aim of the work was to avoid using the commercially available EC dispersions Surelease® and Aquacoat®; both already have additives on it. Instead, Ethocel EC polymer (powder) was characterized in our laboratory in order to find out the properties of polymer before considering the interactions of the polymer with various plasticizers.

Anomalous Structural Disorder in Supported Pt Nanoparticles

DOE PAGES

Vila, Fernando D.; Rehr, John J.; Nuzzo, Ralph G.; ...

2017-07-02

Supported Pt nanocatalysts generally exhibit anomalous behavior, including negative thermal expansion and large structural disorder. Finite temperature DFT/MD simulations reproduce these properties, showing that they are largely explained by a combination of thermal vibrations and low-frequency disorder. We show in this paper that a full interpretation is more complex and that the DFT/MD mean-square relative displacements (MSRD) can be further separated into vibrational disorder, “dynamic structural disorder” (DSD), and long-time equilibrium fluctuations of the structure dubbed “anomalous structural disorder” (ASD). We find that the vibrational and DSD components behave normally, increasing linearly with temperature while the ASD decreases, reflecting themore » evolution of mean nanoparticle geometry. Finally, as a consequence the usual procedure of fitting the MSRD to normal vibrations plus temperature-independent static disorder results in unphysical bond strengths and Grüneisen parameters.« less

Identification of structural motifs as tunneling two-level systems in amorphous alumina at low temperatures

NASA Astrophysics Data System (ADS)

Paz, Alejandro Pérez; Lebedeva, Irina V.; Tokatly, Ilya V.; Rubio, Angel

2014-12-01

One of the most accepted models that describe the anomalous thermal behavior of amorphous materials at temperatures below 1 K relies on the quantum mechanical tunneling of atoms between two nearly equivalent potential energy wells forming a two-level system (TLS). Indirect evidence for TLSs is widely available. However, the atomistic structure of these TLSs remains an unsolved topic in the physics of amorphous materials. Here, using classical molecular dynamics, we found several hitherto unknown bistable structural motifs that may be key to understanding the anomalous thermal properties of amorphous alumina at low temperatures. We show through free energy profiles that the complex potential energy surface can be reduced to canonical TLSs. The tunnel splitting predicted from instanton theory, the number density, dipole moment, and coupling to external strain of the discovered motifs are consistent with experiments.

Non-covalent nanodiamond-polymer dispersions and electrostatic immobilization of bovine serum albumin protein

NASA Astrophysics Data System (ADS)

Skaltsas, T.; Pispas, S.; Tagmatarchis, N.

2015-11-01

Nanodiamonds (NDs) lack efficient dispersion, not only in solvents but also in aqueous media. The latter is of great importance, considering the inherent biocompatibility of NDs and the plethora of suitable strategies for immobilizing functional biomolecules. In this work, a series of polymers was non-covalently interacted with NDs, forming ND-polymer ensembles, and their dispersibility and stability was examined. Dynamic light scattering gave valuable information regarding the size of the ensembles in liquid phase, while their morphology was further examined by high-resolution transmission electron microscopy imaging. In addition, thermal analysis measurements were applied to collect information on the thermal behavior of NDs and their ensembles and to calculate the amount of polymer interacting with the NDs, as well as the dispersibility values of the ND-polymer ensembles. Finally, the bovine serum albumin protein was electrostatically bound to a ND-polymer ensemble in which the polymeric moiety was carrying quaternized pyridine units.

Thermorheological characteristics and comparison of shape memory polymers fabricated by novel 3D printing technique

NASA Astrophysics Data System (ADS)

Hassan, Rizwan Ul; Jo, Soohwan; Seok, Jongwon

The feasibility of fabrication of shape memory polymers (SMPs) was investigated using a customized 3-dimensional (3D) printing technique with an excellent resolution that could be less than 100 microns. The thermorheological effects of SMPs were adjusted by contact and non-contact triggering, which led to the respective excellent shape recoveries of 100% and 99.89%. Thermogravimetric analyses of SMPs resulted in a minor weight loss, thereby revealing good thermal stability at higher temperatures. The viscoelastic properties of SMPs were measured using dynamic mechanical analyses, exhibiting increased viscous and elastic characteristics. Mechanical strength, thermal stability and viscoelastic properties, of the two SMPs were compared [di(ethylene) glycol dimethacrylate (DEGDMA) and poly (ethylene glycol) dimethacrylate (PEGDMA)] to investigate the shape memory behavior. This novel 3D printing technique can be used as a promising method for fabricating smart materials with increased accuracy in a cost-effective manner.

Synthesis and bio-physicochemical properties of amide-functionalized N-methylpiperazinium surfactants.

PubMed

Chauhan, Vinay; Singh, Sukhprit; Mishra, Rachana; Kaur, Gurcharan

2014-12-15

Four new amide functionalized N-methylpiperazinium amphiphiles having tetradecyl, hexadecyl alkyl chain lengths and counterions; chloride or bromide have been synthesized and characterized by various spectroscopic techniques. These new surfactants have been investigated in detail for their self-assembling behavior by surface tension, conductivity and fluorescence measurements. The thermodynamic parameters of these surfactants indicate that micellization is exothermic and entropy-driven. The dynamic light scattering (DLS) and transmission electron microscopy (TEM) experiments have been performed to insight the aggregate size of these cationics. Thermal degradation of these new surfactants has also been evaluated by thermal gravimetric analysis (TGA). These new surfactants form stable complexes with DNA as acknowledged by agarose gel electrophoresis, ethidium bromide exclusion and zeta potential measurements. They have also been found to have low cytotoxicity by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay on the C6 glioma cell line. Copyright © 2014 Elsevier Inc. All rights reserved.