The effect of alumina nanoparticles on the thermal properties of PMMA: a molecular dynamics simulation

Metal oxides, as one of the most promising flame retardant additives, improve the fire retardant and the thermal stability properties of polymers. In the present study, molecular dynamics (MD) simulations based on the united atom model were applied to study the effect of alumina nanoparticles on the density, thermal conductivity, heat capacity, and thermal diffusivity of isotactic poly(methyl methacrylate) (is-PMMA). Thermal diffusivity of PMMA and PMMA/alumina nanocomposite were investigated through calculating thermal conductivity, density and heat capacity in the range of 300–700?K. Heat capacity can be calculated using fluctuations properties of energy. Thermal conductivity was calculated through the nonequilibrium molecular dynamics (NEMD) simulation by Fourier’s law approach. Our results show that the addition of alumina nanoparticles decreases the heat capacity and increases the glass transition temperature (T_g), thermal conductivity and thermal diffusivity of the PMMA. Therefore, the addition of alumina nanoparticles to PMMA improves the fire retardancy of the polymer. In addition, we illustrate the links between the intermolecular and bulk properties of PMMA in the presence of the alumina nanoparticles.     

Heat transfer in dust structures in an RF discharge plasma

Results are presented from experimental studies of heat transfer in liquid-like plasma-dust structures. The experiments were performed with aluminum oxide grains ～3–5 μm in size in an RF discharge plasma. The heat capacity of the dust grains in plasma is measured. The thermal conductivity and thermal diffusivity of liquid-like plasma-dust structures are deduced under the assumption that the observed temperature gradients and the propagation of a thermal perturbation in a dusty plasma are related to heat conduction within the dust component. The measured temperature dependences of the thermal conductivity and thermal diffusivity are in qualitative agreement with the results of numerical simulations performed in the model of a simple single-atom liquid. It is shown that quantitative discrepancy between the experimental and numerical results is related to the energy loss of dust grains in their collisions with the neutral particles of the ambient gas.     

A transient heating technique for the measurement of thermal properties of perfused biological tissue

Knowledge of tissue thermal transport properties is imperative for any therapeutic medical tool which employs the localized application of heat to perfused biological tissue. In this study, several techniques are proposed to measure local tissue thermal diffusion by heating with a focused ultrasound field. Transient as well as near steady-state heat inputs are discussed and examined for their suitability as a measurement technique for either tissue thermal diffusivity or perfusion rate. It is shown that steady-state methods are better suited for the measurement of perfusion; however the uncertainty in the perfusion measurement is directly related to knowledge of the tissue's intrinsic thermal diffusivity. Results are presented for a transient thermal pulse technique for the measurement of the thermal diffusivity of perfused and nonperfused tissues, in vitro and in vivo. Measurements conducted in plexiglas, animal muscle, kidney and brain concur with tabulated values and show a scatter from 5-15 percent from the mean; measurements made in perfused muscle and brain compare well with the nonperfused values. An estimate of the error introduced by the effect of perfusion shows that except for highly perfused kidney tissue the effect of perfusion is less than the experimental scatter. This validation of the tissue heat transfer model will allow its eventual extension to the simultaneous measurement of local tissue thermal diffusivity and perfusion.     

Thermal acclimation in the microcrustacean Daphnia: a survey of behavioural, physiological and biochemical mechanisms

Thermal acclimation in Daphnia magna was studied on various levels to test the recent “oxygen-limited thermal tolerance” hypothesis. Preference behaviour in a thermal gradient was determined by both, ambient temperature and corresponding oxygen concentration. Swimming activity depended on aerobic energy provision and reflected the match or mismatch of oxygen supply and energy demand at different ambient temperatures. Thermal acclimation modified both types of behaviour and more slightly heat tolerance. Perfusion and haemoglobin properties turned out to be central control variables to adapt oxygen transport to varying energy demands at different ambient temperatures. Exceptional advantages of Daphnia as an experimental model organism allowed to confirm on a behavioural, physiological and biochemical level that thermal acclimation is strongly based on the adaptation of oxygen transport allowing unidirectional shifts of the thermal tolerance range to warmer or colder temperatures.     

Characterization of Thermal Transport in One-dimensional Solid Materials

The TET (transient electro-thermal) technique is an effective approach developed to measure the thermal diffusivity of solid materials, including conductive, semi-conductive or nonconductive one-dimensional structures. This technique broadens the measurement scope of materials (conductive and nonconductive) and improves the accuracy and stability. If the sample (especially biomaterials, such as human head hair, spider silk, and silkworm silk) is not conductive, it will be coated with a gold layer to make it electronically conductive. The effect of parasitic conduction and radiative losses on the thermal diffusivity can be subtracted during data processing. Then the real thermal conductivity can be calculated with the given value of volume-based specific heat (ρc_p), which can be obtained from calibration, noncontact photo-thermal technique or measuring the density and specific heat separately. In this work, human head hair samples are used to show how to set up the experiment, process the experimental data, and subtract the effect of parasitic conduction and radiative losses.     

Pareto Optimal Spectrally Selective Emitters for Thermophotovoltaics via Weak Absorber Critical Coupling

Tailoring the emission spectra of a thermophotovoltaic (TPV) emitter away from that of a blackbody has the potential to minimize transmission and thermalization loss in a photovoltaic receiver. Selective TPV emitters can lead to solar energy conversion with efficiency greater than the Shockley–Queisser limit and can facilitate the generation of useful energy from waste heat. A new design is introduced to radically tune thermal emission that leverages the interplay between two resonant phenomena in simple planar nanostructures—absorption in weakly absorbing nanofilms and reflection in multilayer dielectric stacks. A virtual screening approach is employed to identify promising structures for a selective thermal emitter from a search space of millions, several of which approach the ideal values of a step‐function selective thermal emitter. One of these structures is experimentally fabricated and evaluated, which includes a weakly absorbing alloy with tailored optical properties fabricated by atomic layer deposition (ALD). The versatility of the design and fabrication approach result in an emitter with excellent spectral density (0.8 W cm^?2 sr^?1) and spectral efficiency (46.8%) at 1373 K. Future experimental challenges to a more accurate realization of the optimal structures calculated are also considered.     

Prediction of light-induced transient thermal response of the retina

Suppose that a collimated beam of light traveling along the axis of the eye deposits energy, and that the rate at which energy is deposited by the beam is known at every point of the eye. The thermal response in the chrioretinal region of the eye is predicted by convolving this rate of deposition per unit volume with the fundamental solution of the associated heat operator.     

A self-heated thermistor technique to measure effective thermal properties from the tissue surface

A microcomputer based instrument to measure effective thermal conductivity and diffusivity at the surface of a tissue has been developed. Self-heated spherical thermistors, partially embedded in an insulator, are used to simultaneously heat tissue and measure the resulting temperature rise. The temperature increase of the thermistor for a given applied power is a function of the combined thermal properties of the insulator, the thermistor, and the tissue. Once the probe is calibrated, the instrument accurately measures the thermal properties of tissue. Conductivity measurements are accurate to 2 percent and diffusivity measurements are accurate to 4 percent. A simplified bioheat equation is used which assumes the effective tissue thermal conductivity is a linear function of perfusion. Since tissue blood flow strongly affects heat transfer, the surface thermistor probe is quite sensitive to perfusion.     

Are black-box models of thermoregulatory control obsolete? The importance of borrowed knowledge.

Black-box models of thermoregulatory control have gained increasing importance in describing the properties of the biological thermostat and in devising working hypotheses for further experimental analysis. Incorporation of knowledge acquired independently from the systems analysis approach into black-box models of thermoregulation has proven useful in improving their predictive ability. The pieces of "borrowed knowledge" from independent analysis which are currently utilized in devising models of homeothermic thermoregulation comprise: the proportional control property of the biological thermostat, the Sherringtonian principles of synaptic interaction, the multiple input control of thermoregulatory effectors with differential input-effector coupling, the lack of significant thermosensory contribution from the hypothalamus in birds, the existence of warm and cold receptors and the thermal characteristics of their responses, and the Q10-type temperature dependence of temperature signal transmission within the central nervous system. Consideration of these pieces of borrowed knowledge has resulted in black-box models of temperature regulation in which explicit set-point terms are avoided.     

A Gaussian statistical mechanical model for the equilibrium thermodynamics of barnase folding

Given an all non-hydrogen-atom potential function that implicitly includes solvation effects, it is possible to adjust its parameters to favor the correct native structure for several proteins over decoys produced by ungapped threading. It is also possible to further train it to reproduce the experimental free energy of unfolding in aqueous solution at 298 K for wild-type barnase and 66 mutants. For this, the native state is represented by the crystal structure at a single energy level with a calculated low degeneracy; the denatured state is represented by the extended conformation and a high calculated degeneracy. The same two-state model can be extended to account for the stability of all 67 sequences toward urea denaturation at 298 K by building in a solvation term that depends on urea concentration. With the addition of one more parameter set to give the correct heat capacity of unfolded barnase in solution, it is possible to approximate the experimental thermodynamics of barnase thermal denaturation: melting temperature, width of thermal transition, deltaG, deltaH, deltaS, and deltaCp. This requires a novel sort of statistical mechanical model where the two states each have a Gaussian density of microscopic state distribution as a function of energy.     

Heat transfer simulation using energy conservative dissipative particle dynamics

Dissipative particle dynamics with energy conservation (eDPD) was used to investigate conduction heat transfer in two dimensions under steady-state condition. Various types of boundary condition were implemented to the conduction domain. Besides, 2D conduction with internal heat generation was studied and the heat generation term was used to measure the thermal conductivity and diffusivity of the eDPD system. The boundary conditions used include both the Neumann and Dirichlet boundary conditions. The Neumann boundary condition was applied via adiabatic surfaces and surfaces exposed to convection heat transfer. The DPD simulations were compared to analytical solutions and finite-difference techniques. It was found that DPD appropriately predicts the temperature distribution in the conduction regime. Details of boundary condition implementation and thermal diffusivity measurement are also described in this paper.     

First-principles investigation on structural,elastic, electronic and thermodynamic properties of filled skutterudite PrFe4P12 compound for thermoelectric applications

Filled skutterudite compound PrFe₄P₁₂ is studied using the full potential linear muffin-tin orbital method with the local density approximation for the exchange correlation potential to investigate the systematic trends for structural and elastic properties of the cubic PrFe₄P₁₂ skutterudite. The calculated ground state quantities such as the lattice constant and internal free parameters are in fairly good agreement with the available experimental data. The elastic constants and their pressure dependence are obtained by calculating the total energy versus volume-conserving strains using the Mehl model. Pressure and temperature effects on the lattice constant, bulk modulus, thermal expansion coefficient, Debye temperature and heat capacity are obtained in the range of 0–30 GPa and 0–1000 K. Reduction of bulk modulus and Debye temperature with temperature essentially indicates the thermal softening of the rare earth-filled skutterudites lattice.     

Heat transfer modeling of the tongue

The heat transfer mechanism of tongue was investigated on the basis of experimental and theoretical research. Firstly, the relationship between tongue temperature and blood perfusion was obtained from animal experiment that mainly carried out on porcine tongue, subordinate on human tongue. Secondly, a one-dimensional variable coefficients second-order inhomogeneous heat transfer equation is developed by simplifying tongue as fin cube and the analytical solution is got. The results show that the change regulations of temperature by blood perfusion rate are the same in human and porcine tongue, and also, there is a good agreement between calculation and experimental results. When checking the model with corresponding properties of human tongue, the result is also satisfied. In conclusion, predicting temperature distribution of tongue is feasible with the fin cube model.     

Recommended gas transport properties of argon at low density using ab initio potential

The most important transport properties of argon have been calculated using classical kinetic theory expressions in conjunction with high-quality ab initio potential energy values computed by Patkowski and Szalewicz. Dilute gas transport properties have been calculated for the viscosity, thermal conductivity, self-diffusion coefficient and thermal diffusion factor from 83 to 10,000 K. Comparisons between experimental transport property data and values presently calculated indicate that the present theoretical predictions may be employed as recommended values for this set of transport properties over a wide temperature range.     

A new technique utilizing thermistor probes for the measurement of thermal properties of biomaterials

The thermal limitations inherent with the use of invasive thermistor probes in the measurement of thermal properties of biomaterials have been investigated. An electronic temperature controller has been developed which provides a nearly instantaneous step rise in average probe resistance (temperature). The method of experimentally determining the heat rate required to maintain the average probe temperature constant and incorporation of that heat rate into the general heat diffusion equation provides a solution which allows the determination of both thermal conductivity and diffusivity values with improved accuracy. The method is general to all media which wet the surface of the probe; the need for calibrating media is avoided. The solution also predicts the minimum required sample size.     

Resonance microwave volume plasma source

A conceptual design of a microwave gas-discharge plasma source is described. The possibility is considered of creating conditions under which microwave energy in the plasma resonance region would be efficiently converted into the energy of thermal and accelerated (fast) electrons. Results are presented from interferometric and probe measurements of the plasma density in a coaxial microwave plasmatron, as well as the data from probe measurements of the plasma potential and electron temperature. The dynamics of plasma radiation was recorded using a streak camera and a collimated photomultiplier. The experimental results indicate that, at relatively low pressures of the working gas, the nonlinear interaction between the microwave field and the inhomogeneous plasma in the resonance region of the plasmatron substantially affects the parameters of the ionized gas in the reactor volume.     

Thermal effects of a short light flash on biological tissues. I. An optical and thermal model

By summarizing the reference data and own calculations, a simple model for the optical and thermal properties of two-component biological tissues was proposed, as applied to the investigations of thermal fields in human tissues under external irradiation. The model comprises a small number of input variable parameters (total hemoglobin, blood oxygenation degree, and volume fraction of blood vessels) and enables one to find all optical characteristics necessary to compute the light fields in the tissue and set the thermal source function. Thermal parameters that determine heat transfer in the two-component medium were calculated with regard for the conditions of heat exchange between the components and heat transfer at the interface with various environments.     

Do the ornamented osteoderms influence the heat conduction through the skin? A finite element analysis in Crocodylomorpha

In order to assess the implication of the crocodylomorph ornamented osteoderms on the skin conduction during basking, we have performed three dimensional modeling and finite element analyses on a sample which includes both extant dry bones and well-preserved fossils tracing back to the Early Jurassic. In purpose to reveal the possible implication of the superficial ornamentation on the osteoderm heat conduction, we repeated the simulation on an equivalent set of smoothed 3D-modeled osteoderms. The comparison of the results evidenced that the presence of the apical sculpture has no significant impact on the osteoderm global conduction. Furthermore, as we also aimed to assess the influence of the inner bone porosity on the osteoderm conduction, we modified the heat equation parameters so that the 3D-modeled osteoderms successively score the compact and the cancellous bone properties (i.e. mass density, heat capacity, thermal conductivity and thermal diffusivity). Finally, we repeated the analyses using the soft-dermis properties which lead to outline that neither the degree of porosity nor the presence of the osteoderms (in itself) significantly modifies the heat conduction through the crocodylomorph skin. Consequently, as hypothesized by previous authors, if the dermal shield happens to be involved into heat capture during basking for crocodylians, this process must mainly rely on a convective effect based on the osteoderm relative degree of vascularization. This last assumption could thus explain why the crocodylians which produce little metabolic heat would carry an entire vascularized osteoderm shield.     

Thermoregulation in homeotherms: central temperature results from optimization of energy transfers

In contrast to the classical homeostatic concept of the constancy of the central temperature, this study proposes an original model of thermoregulation based on the optimization of energy transfers. Exchange of the energy consumed or produced by the cell between the cell and the external medium has an associated energy cost. The different variables of the internal medium — flows, pressures, concentrations and also temperatures, since heat is but a particular form of energy — are continuously set at optimal values such that this cost is always minimal for the prevailing constraints with which the organism is faced. The proposed thermoregulatory model accounts for the physiological spatial and temporal variability of the body's temperatures. The predictive curves suggest a new approach to experimental studies concerned with thermal regulation and throw new light on their results.     

Thermally induced increase in energy transport capacity of silkworm silks

This work reports on the first study of thermally induced effect on energy transport in single filaments of silkworm (Bombyx mori) fibroin degummed mild (type 1), moderate (type 2), to strong (type 3). After heat treatment from 140 to 220°C, the thermal diffusivity of silk fibroin type 1, 2, and 3 increases up to 37.9, 20.9, and 21.5%, respectively. Our detailed scanning electron microscopy study confirms that the sample diameter change is almost negligible before and after heat treatment. Raman analysis is performed on the original and heat‐treated (at 147°C) samples. After heat treatment at 147°C, the Raman peaks at 1081, 1230, and 1665 cm^?1 become stronger and narrower, indicating structural transformation from amorphous to crystalline. A structure model composed of amorphous, crystalline, and laterally ordered regions is proposed to explain the structural change by heat treatment. Owing to the close packing of more adjacent laterally ordered regions, the number and size of the crystalline regions of Bombyx mori silk fibroin increase by heat treatment. This structure change gives the observed significant thermal diffusivity increase by heat treatment. © 2014 Wiley Periodicals, Inc. Biopolymers 101: 1029–1037, 2014.