Effective Thermal Mass Research Articles

Thermal and Electrochemical Analysis of Thermal Runaway Propagation of Samsung Cylindrical Cells in Lithium-ion Battery Modules

Thermal runaway propagation analysis at the module and cell level was performed using the Samsung 30Q 18650 cylindrical cells. Measurements such as cell enthalpy, maximum thermal runaway temperature, and thermal runaway onset and initiation temperatures were collected and shown to be consistent by means of accelerated rate calorimetry (ARC). This study showed, using the module billet as a thermal runaway propagation mitigation strategy, the cell energy was successfully absorbed during a failure event and prevented thermal runaway propagation from between cells. However, the module level tests showed average maximum temperatures that were 229 °C higher than the average maximum temperatures in the cell level tests, showing the importance of evaluating both the cell level thermal runaway response and the module level response, as they can be different. This work shows the differences between cell TR and module level TR and an effective mitigation strategy based on effective spacing and thermal mass.

Real-time methods for spectral functions

In this paper we develop and compare different real-time methods to calculate spectral functions. These include classical-statistical simulations, the Gaussian state approximation (GSA), and the functional renormalization group (FRG) formulated on the Keldysh closed-time path. Our test-bed system is the quartic anharmonic oscillator, a single self-interacting bosonic degree of freedom, coupled to an external heat bath providing dissipation analogous to the Caldeira-Leggett model. As our benchmark we use the spectral function from exact diagonalization with constant Ohmic damping. To extend the GSA for the open system, we solve the corresponding Heisenberg-Langevin equations in the Gaussian approximation. For the real-time FRG, we introduce a novel general prescription to construct causal regulators based on introducing scale-dependent fictitious heat baths. Our results explicitly demonstrate how the discrete transition lines of the quantum system gradually build up the broad continuous structures in the classical spectral function as temperature increases. At sufficiently high temperatures, classical, GSA, and exact-diagonalization results all coincide. The real-time FRG is able to reproduce the effective thermal mass, but it overestimates broadening and only qualitatively describes higher excitations, at the present order of our combined vertex and loop expansion. As temperature is lowered, the GSA follows the ensemble average of the exact solution better than the classical spectral function. In the low-temperature strong-coupling regime, the qualitative features of the exact result are best captured by our real-time FRG calculation, with quantitative improvements to be expected at higher truncation orders.

Performance analysis of LaNi5 added with expanded natural graphite for hydrogen storage system

This paper presents a comparative study of two cases of metal hydride hydrogen storage units working on (i) LaNi5 (ii) Compacts of LaNi5 incorporated with expanded natural graphite (ENG). It has been observed from the previous studies that the hydriding/dehydriding reactions eventually causes large strain changes, due to which the hydride forming metal alloys disintegrate and form a powder bed. Such reactor beds usually have a low thermal conductivity which minimizes the heat transfer phenomenon occurring during the absorption of hydrogen gas. Therefore, there is a need to implement heat augmentation methods to significantly enhance the thermal conductivity. The objective of this research is to present a 2-D numerical model using Finite Volume Method (FVM) and estimate the hydrogen storage performance of a cylindrical metal hydride bed for both the cases, i.e. powdered metal hydride bed and ENG compacts-based reactor bed at different values of inlet pressure and heat transfer fluid temperature. In this study, a detailed investigation on the absorption process reveals that reactor beds with compacted disks of LaNi5 and ENG demonstrate an enhanced effective thermal conductivity and efficient mass transfer. The simulation results show that a remarkable improvement in the heat transfer and hydrogen storage capacity with reduced absorption time can be achieved by using LaNi5 and ENG compacts. It was observed that the average reactor bed temperature dropped from 345.13 K to 337.37 K when the ENG based compacted disks was introduced into the reactor bed. Moreover, for supply pressure of 24 bar and fluid temperature of 293 K, the time taken to absorb hydrogen into the rector to achieve stabilized hydrogen storage capacity was estimated to be 446s and 232 s for the case of metal hydride and ENG compacts-based bed, respectively.

An algorithm of calculating transport parameters of thermoelectric materials using single Kane band model with Riemann integral methods

We develop an algorithm called SKBcal to conveniently calculate within minutes the thermoelectric transport parameters such as reduced Fermi level (η), electronic thermal conductivity (κe), lattice thermal conductivity (κl), Hall factor (A), effective mass (m*), quality factor (β) and theoretical zT within the framework of single Kane band (SKB) model. The generalized Fermi–Dirac integral for SKB model is integrated by left Riemann integral method. A concept of significant digits of relative error is involved to determine the accuracy of calculation. Furthermore, a combined program of "For" and "While" is coded to set up an iteration for refining the reduced Fermi level. To easily obtain the quality factor, we re-derive the expression into a formula related to carrier mobility. The results calculated by SKBcal are consistent with the data reported in the literatures.

A review of band structure and material properties of transparent conducting and semiconducting oxides: Ga2O3, Al2O3, In2O3, ZnO, SnO2, CdO, NiO, CuO, and Sc2O3

This Review highlights basic and transition metal conducting and semiconducting oxides. We discuss their material and electronic properties with an emphasis on the crystal, electronic, and band structures. The goal of this Review is to present a current compilation of material properties and to summarize possible uses and advantages in device applications. We discuss Ga2O3, Al2O3, In2O3, SnO2, ZnO, CdO, NiO, CuO, and Sc2O3. We outline the crystal structure of the oxides, and we present lattice parameters of the stable phases and a discussion of the metastable polymorphs. We highlight electrical properties such as bandgap energy, carrier mobility, effective carrier masses, dielectric constants, and electrical breakdown field. Based on literature availability, we review the temperature dependence of properties such as bandgap energy and carrier mobility among the oxides. Infrared and Raman modes are presented and discussed for each oxide providing insight into the phonon properties. The phonon properties also provide an explanation as to why some of the oxide parameters experience limitations due to phonon scattering such as carrier mobility. Thermal properties of interest include the coefficient of thermal expansion, Debye temperature, thermal diffusivity, specific heat, and thermal conductivity. Anisotropy is evident in the non-cubic oxides, and its impact on bandgap energy, carrier mobility, thermal conductivity, coefficient of thermal expansion, phonon modes, and carrier effective mass is discussed. Alloys, such as AlGaO, InGaO, (AlxInyGa1−x−y)2O3, ZnGa2O4, ITO, and ScGaO, were included where relevant as they have the potential to allow for the improvement and alteration of certain properties. This Review provides a fundamental material perspective on the application space of semiconducting oxide-based devices in a variety of electronic and optoelectronic applications.

Potential Phase Change Materials in Building Wall Construction-A Review.

Phase change materials (PCMs) are an effective thermal mass and their integration into the structure of a building can reduce the ongoing costs of building operation, such as daily heating/cooling. PCMs as a thermal mass can absorb and retard heat loss to the building interior, maintaining comfort in the building. Although a large number of PCMs have been reported in the literature, only a handful of them, with their respective advantages and disadvantages, are suitable for building wall construction. Based on the information available in the literature, a critical evaluation of PCMs was performed in this paper, focusing on two aspects: (i) PCMs for building wall applications and (ii) the inclusion of PCMs in building wall applications. Four different PCMs, namely paraffin wax, fatty acids, hydrated salts, and butyl stearate, were identified as being the most suitable for building wall applications and these are explained in detail in terms of their physical and thermal properties. Although there are several PCM encapsulation techniques, the direct application of PCM in concrete admixtures is the most economical method to keep costs within manageable limits. However, care should be taken to ensure that PCM does not leak or drip from the building wall.

Combined macroscopic and pore scale modeling of direct contact membrane distillation with micro-porous hydrophobic membranes

The transport processes of a direct contact membrane distillation (DCMD) module are investigated with a multiscale approach in this study. A stochastic, numerical reconstruction algorithm is first developed to generate 3D virtual membranes based on the membrane's pore size and fiber orientation distributions. Pore-scale simulations are then performed on the reconstructed membrane model. The membrane's effective thermal conductivity and mass diffusivity are computed using AVIZO software and OpenFOAM solver, respectively. A 2D macroscopic, multiphysics model considering the conservation of mass, species, momentum, and energy is developed, where the effective transport properties obtained from pore-scale simulations are utilized, to study the heat and mass transfer through the membrane. Two commercially available polytetrafluoroethylene (PTFE) membranes (GE-Osmonics/0.22 μm and MS-3010/0.45 μm) are chosen as examples for the present multiscale approach. The computed transport properties of the membranes are found to yield good distillate flux predictions with data reported in the literature. The MS-3010/0.45 μm membrane is found to produce 24% higher freshwater on average than GE-Osmonics/0.22 μm membrane. Finally, the performance of DCMD of three hypothetical membranes with different specifications is compared to the reconstructed MS-3010/0.45 μm membrane to study the factors that need to be taken into account for optimal design of the membrane for DCMD applications.

Thermal energy storage cement mortar with direct incorporation of organic and inorganic phase change materials

Direct incorporation of phase change materials (PCMs) in the mortar matrix increases the effective thermal mass of a structure without increasing the size or significantly changing its weight; thereby reduces the energy consumption and brings comfort/well-being throughout the various seasons. Hence, the effect of direct incorporation of various types of PCMs in a mortar matrix needs to be addressed to optimize PCM addition and its type. In the present study, five different PCMs, two in-organic, and three organics were directly incorporated into the cement matrix from 5 to 15% as partial replacement of cement. Various studies such as compressive strength, flexural strength, acid and sulphate attack, Differential scanning calorimetry (DSC) analysis, Fourier transform infrared spectroscopy, thermal conductivity, stability of PCM (1000 thermal cycle test), thermal performance, and leakage test were conducted. Organic (n-BS, PEG-600, and OM29) PCMs have significantly decreased the strength of cement mortar with a peak reduction of 74% for HS24 (15%); whereas inorganic (HS24 and HS29) PCMs gave considerably equal strength of conventional mortar up to 10 wt%. A statistical technique using Minitab was used to validate the actual experimental values (compressive strength of HS24) with predicted values, and it was observed that the error in experimental values and the predicted values is less than 5% for 28 and 60 days curing thereby showing a confidence level of 95%. Acid attack tests on mortar specimens with PCMs gave a drastic reduction in compressive strength at 90 days. DSC analysis was conducted on all pure PCM materials and found that its temperature range and enthalpy exist in the human comfort zone. The stability for HS24 gave an enthalpy of 145.8 J/g and 122.6 J/g for melting and freezing point after 1000 cycles. The temperature variation of organic PCMs was nearly the same as normal cement mortar, and the maximum reduction of 5 °C was attained with inorganic PCMs. No leakage was observed for HS24, n-BS, and HS29 PCMs.

The nonperturbative contribution to asymptotic masses

In gauge theories, charged particles obey modified dispersion due to medium interactions (forward scattering), leading at high energies $E \geq T$ to an asymptotic mass-squared $m^2_\infty$. We calculate the infrared part of this mass nonperturbatively for the theory of the strong interactions, QCD, through a lattice treatment of its low-energy effective description, Electrostatic QCD (EQCD). Incorporation of these results into a nonperturbative determination of the effective thermal mass will require a still-incomplete next-to-leading order perturbative matching of this quantity to full QCD.

Experimentally Measured Thermal Masses of Adsorption Heat Exchangers

The thermal masses of components influence the performance of many adsorption heat pump systems. However, typically when experimental adsorption systems are reported, data on thermal mass are missing or incomplete. This work provides original measurements of the thermal masses for experimental sorption heat exchanger hardware. Much of this hardware was previously reported in the literature, but without detailed thermal mass data. The data reported in this work are the first values reported in the literature to thoroughly account for all thermal masses, including heat transfer fluid. The impact of thermal mass on system performance is also discussed, with detailed calculation left for future work. The degree to which heat transfer fluid contributes to overall effective thermal mass is also discussed, with detailed calculation left for future work. This work provides a framework for future reporting of experimental thermal masses. The utilization of this framework will enrich the data available for model validation and provide a more thorough accounting of adsorption heat pumps.

Non-extensive statistics in free-electron metals and thermal effective mass

We have applied the non-extensive statistical mechanics to free electrons in several metals to calculate the electronic specific heat at low temperature. In this case, the Fermi–Dirac (FD) function is modified from its Boltzmann–Gibbs (BG) form, with the exponential part going to a q-exponential, in its non-extensive form. In most cases, the non-extensive parameter, q, is found to be greater than unity to produce the correct thermal effective mass, m∗, of electrons. The ratio m∗∕m is found to show a nice systematic dependence on q. Results indicate, electrons in metals, in the presence of long range correlations are reasonably well described by Tsallis statistics.

Evaluation of Grey-Box Model Parameter Estimates Intended for Thermal Characterization of Buildings

The ability to obtain reliable estimates the actual thermal characteristics of whole buildings through fitting dynamical resistance-capacitance grey-box models to measurement data was investigated. The actual total heat loss coefficient was identified with a maximum deviation of 4% for all the evaluated model structures. The best performing models tended to overestimate the effective thermal mass by 10-32 % compared to the Effective Thickness Method of ISO 13786. The results also indicated that identifying the distribution of the total heat loss into transmission and infiltration heat losses is unlikely to be achieved from typical building measurement data.

Inferring the thermal resistance and effective thermal mass distribution of a wall from in situ measurements to characterise heat transfer at both the interior and exterior surfaces

The estimation of the thermophysical characteristics of building elements based on in situ monitoring enables their performance to be assessed for quality assurance and successful decision making in policy making, building design, construction and refurbishment. Two physically-informed lumped thermal mass models, together with Bayesian statistical analysis of temperature and heat flow measurements, are presented to derive estimates of the thermophysical properties of a wall. The development of a two thermal mass, three thermal resistance model (2TM) enabled the thermal structure of the wall to be investigated and related to the known physical structure of two heavy-weight walls of different construction: a solid brick wall and an aerated clay, plaster, woodfibre insulation and gypsum fibreboard wall. The 2TM model produced good match to the measured heat flux at both interior and exterior surfaces for both walls, unlike a one thermal mass model (1TM); Bayesian model comparison strongly supported the 2TM over the 1TM model to accurately describe the observed data. Characterisation of the thermal structure and performance of building elements prior to decision making in interventions will support the development of tailored solutions to maximise thermal comfort and minimise energy use through insulation, heating and cooling strategies.

Fermionic [formula omitted]-deformation and its connection to thermal effective mass of a quasiparticle

A fermionic deformation scheme is applied to a study on the low-temperature quantum statistical behavior of a quasifermion gas model with intermediate statistics. Such a model does not satisfy the Pauli exclusion principle, and its quantum statistical properties are based on a formalism of the fermionic q-calculus. For low temperatures, several thermostatistical functions of the model such as the chemical potential, the heat capacity, and the entropy are derived by means of a function of the model deformation parameter q. The effect of fermionic q-deformation on the low-temperature thermostatistical properties of the model are discussed in detail. Our results show that the present deformed (quasi)fermion model provides remarkable connections of the model deformation parameter q, first, with the thermal effective mass of a quasiparticle, and second, with the temperature parameter. Hence, it turns out that the model deformation parameter q has also a role controlling the strength of effective quasiparticle interactions in the model. Finally, we conclude that this work can be useful for understanding the details of interaction mechanism of fermions such as quasiparticle states emergent in the fractional quantum Hall effect.

Thermoelectric performance of n-type (PbTe)0.75(PbS)0.15(PbSe)0.1 composites.

Lead chalcogenides (PbQ, Q = Te, Se, S) have proved to possess high thermoelectric efficiency for both n-type and p-type compounds. Recent success in tuning of electronic band structure, including manipulating the band gap, multiple bands, or introducing resonant states, has led to a significant improvement in the thermoelectric performance of p-type lead chalcogenides compared to the n-type ones. Here, the n-type quaternary composites of (PbTe)0.75(PbS)0.15(PbSe)0.1 are studied to evaluate the effects of nanostructuring on lattice thermal conductivity, carrier mobility, and effective mass variation. The results are compared with the similar ternary systems of (PbTe)(1-x)(PbSe)x, (PbSe)(1-x)(PbS)x, and (PbS)(1-x)(PbTe)x. The reduction in the lattice thermal conductivity owing to phonon scattering at the defects and interfaces was found to be compensated by reduced carrier mobility. This results in a maximum figure of merit, zT, of ∼1.1 at 800 K similar to the performance of the single phase alloys of PbTe, PbSe, and (PbTe)(1-x)(PbSe)x.

Leptogenesis in crossing and runaway regimes

We study the impact of effective thermal masses and widths on resonant leptogenesis. We identify two distinct possibilities which we refer to as crossing and runaway regimes. In the runaway regime the mass difference grows monotonously with temperature, whereas it initially decreases in the crossing regime, such that the effective masses become equal at some temperature. Following the conventional logic the source of the asymmetry would vanish in the latter case. Using non-equilibrium quantum field theory, we analytically demonstrate that the vanishing of the difference of the effective masses does however neither imply a suppression nor a strong enhancement of the source for the lepton asymmetry. In the vicinity of the crossing point the asymmetry calculated in an (improved) Boltzmann limit develops a spurious peak, which signals the breakdown of the quasiparticle approximation. In the exact result this spurious enhancement is compensated by coherent transitions between the two mass shells. Despite the breakdown of the quasiparticle approximation off-shell contributions remain negligibly small even at the crossing point.

Inferring the thermal resistance and effective thermal mass of a wall using frequent temperature and heat flux measurements

Evaluating how much heat is lost through external walls is a key requirement for building energy simulators and is necessary for quality assurance and successful decision making in policy making and building design, construction and refurbishment. Heat loss can be estimated using the temperature differences between the inside and outside air and an estimate of the thermal transmittance (U-value) of the wall. Unfortunately the actual U-value may be different from those values obtained using assumptions about the materials, their properties and the structure of the wall after a cursory visual inspection. In-situ monitoring using thermometers and heat flux plates enables more accurate characterisation of the thermal properties of walls in their context. However, standard practices require that the measurements are carried out in winter over a two-week period to significantly reduce the dynamic effects of the wall's thermal mass from the data. A novel combination of a lumped thermal mass model, together with Bayesian statistical analysis is presented to derive estimates of the U-value and effective thermal mass. The method needs only a few days of measurements, provides an estimate of the effective thermal mass and could potentially be used in summer.

Optoelectronic and thermoelectric properties of KAuX5 (X = S, Se): a first principles study

The electronic structure as well as optical and thermoelectric properties of the orthorhombic polychalcogenides of gold KAuX5 (X = S, Se) compounds have been investigated using full-potential linearized augmented plane wave within the framework of the density functional theory (DFT). The local density approximation (LDA), generalized gradient approximation (GGA) by Perdew, Burke and Ernzerhof (PBE), Engel–Vosko generalized gradient approximation (EV-GGA), and the recently modified Becke–Johnson approximation (mBJ) formalism are used for the exchange correlation energy to calculate the total energy. The results show that KAuX5 (X = S, Se) is a direct band gap semiconductor at Γ–Γ point. The total and partial density of states indicate that the states Au-d, S-p, and Se-p of both compounds have strong contributions to valence band in the energy range from −10 up to 0.0 eV. One can notice from electronic charge density that both compounds show greater iconicity and smaller covalency. Optical properties with photon incident energy up to 14.0 eV have been calculated and analyzed. Important transport properties such as Seebeck coefficients as well as thermal and electrical conductivities and effective mass are obtained and discussed in details.

Numerical simulation of phase change material composite wallboard in a multi-layered building envelope

Phase change materials (PCMs) have the capability to store/release massive latent heat when undergoing phase change. When impregnated or encapsulated into wallboard or concrete systems, PCMs can greatly enhance their thermal energy storage capacity and effective thermal mass. When used in the building envelope PCM wallboard has the potential to improve building operation by reducing the energy requirement for maintaining thermal comfort, downsizing the AC/heating equipment, and shifting the peak load from the electrical grid. In this work we numerically studied the potential of PCM on energy saving for residential homes. For that purpose we solved the one-dimensional, transient heat equation through the multi-layered building envelope using the Crank–Nicolson discretization scheme. A source term is incorporated to account for the thermal-physical properties of the composite PCM wallboard. Using this code we examined a PCM composite wallboard incorporated into the walls and roof of a typical residential building across various climate zones. The PCM performance was studied under all seasonal conditions using the latest typical meteorological year (TMY3) data for exterior boundary conditions. Our simulations show that PCM performance highly depends on the weather conditions, emphasizing the necessity to choose different PCMs at different climate zones. Comparisons were also made between different PCM wallboard locations. Our work shows that there exists an optimal location for PCM placement within building envelope dependent upon the resistance values between the PCM layer and the exterior boundary conditions. We further identified the energy savings potential by comparing the performance of the PCM wallboard against the performance of a building envelope without PCM. Our study shows that PCM composite wallboard can reduce the energy consumption in summer and winter and can shift the peak electricity load in the summer.

Electron effective mass in the strongly correlated two-dimensional uniform electron fluid from finite-temperature calculations

The very-low temperature thermal effective mass m* of paramagnetic and ferromagnetic electrons in a uniform electron fluid in two dimensions is studied. Analytical and numerical evaluations are used to meaningfully define an m*, even in the the Hartree-Fock approximation. The Hartree-Fock m* decreases linearly with the electron-disk radius r_s. Correlation effects lead to strong cancellations between exchange and correlation. Thus the effective mass is enhanced with increasing r_s for the unpolarized fluid, while m* decreases with the r_s of the polarized fluid. The effective mass is calculated from the coefficient of the quadratic temperature dependence of exchange-correlation free energy F_{xc}. This is calculated in a physically transparent manner using a new formula for the effective mass. This uses the T=0 pair-distribution functions of Gori-Giorgi et al., and the temperature derivative of a quantum analogue of the potential of mean-force well known in the statistical mechanics of classical fluids. The results are compared with recent quantum Monte-Carlo simulations at T=0, as well as with other available experimental and theoretical data for the effective mass.