Substantial Reduction In Thermal Conductivity Research Articles

Investigating the characteristics and thermal performance of plaster composites enhanced with paddy husk for sustainable Residential construction

This study is a big step forward in the field of thermal insulation, establishing rice husk as a legitimate and environmentally acceptable alternative in composite materials. The study focuses on the incorporation of paddy husk, a natural fibre, into plaster matrices to improve thermal insulation. By conducting a wide range of experimental analyses, such as thermophysical tests and physicochemical evaluations, this study reveals the significant influence of paddy husk on plaster formulations. The research shows that incorporating paddy husk leads to significant enhancements in thermal insulation properties, resulting in a noticeable decrease in bulk density and a substantial reduction in thermal conductivity. With a bulk density of 1244.2 kg/m³ for pure plaster, the samples with 20.0 % rice husk show a decreased density of 1055.4 kg/m³, indicating promise for lightweight but strong construction elements. In addition, there is a significant decrease in thermal conductivity, with values dropping from 0.94 W/mK for pure plaster to 0.67 W/mK for samples containing 20.0 % paddy husk, demonstrating excellent insulating properties. The promising result prospects of employing paddy husk to enhance both thermal performance and sustainability in building materials. This investigation constitutes a notable stride forward in thermal insulation research, affirming paddy husk as a feasible and ecologically sound alternative in composite materials.

Predicting the thermoelectric figure of merit in p-type BiSbTe-based alloys using artificial neural network modeling

The polycrystalline Bi0.5Sb1.5Te3 compound has drawn promising thermoelectric material over the decades with a figure of merit (zT) close to unity and numerous experiments have been conducted through a trial-and-error approach to further improve their zT by tuning the chemical composition and processing approaches. Despite a lot of studies available on BiSbTe alloys, choosing the right combination of alloy system with high zT is still a challenging task. Herein, we produced a p-type Bi0.5Sb1.5Te3 alloy through casting followed by high-energy milling to enhance the zT via reducing thermal conductivity. The experimental results revealed that a peak zT of 0.95 was achieved at 300 K due to a substantial reduction in thermal conductivity via enhanced carrier/phonon scattering at refined grain boundaries. In addition to the current scenario, the machine learning (ML) assisted artificial neural network (ANN) modeling was performed to predict the zT value by applying the composition, electrical conductivity, Seebeck coefficient, thermal conductivity, and temperature as the input parameters. The predicted zT by ANN modeling shows excellent accuracy with experimental findings about an average absolute error of 9.34 %. Therefore, the developed ANN modeling shows a protocol for composition-based prediction of zT with reduced experimental costs, time consumption, and excellent accuracy in terms of the theoretical and experimental databases.

Ab Initio Driven Exploration on the Thermal Properties of Al-Li Alloy.

Al-Li alloys are feasible and promising additives in advanced energy and propellant systems due to the significantly enhanced heat release and increased specific impulse. The thermal properties of Al-Li alloys directly determine the manufacturing, storage safety, and ignition delay of propellants. In this study, a neural network potential (NNP) is developed to investigate the thermal behaviors of Al-Li alloys from an atomistic perspective. The novel NNP demonstrates an excellent predictive ability for energy, atomic force, mechanical behaviors, phonon vibrations, and dynamic evolutions. A series of NNP-based molecular dynamics simulations are performed to investigate the effect of Li doping on the thermal properties of Al-Li alloys. All calculated results for Al-Li alloys are consistent with experimental values for Al, ensuring their validity in predicting Al-Li interactions. The simulation results suggest that a minor increment in the Li content results in a slight change in the melting point, thermal expansion, and radical distribution functions. These three properties are associated with the lattice characteristics; nonetheless, it causes a substantial reduction in thermal conductivity, which is related to the physical properties of the elements. The lower thermal conductivity allows heat accumulation on the particle surface, thereby speeding up the surface premelt and ignition. This provides an alternative atomic explanation for the improved combustion performance of Al-Li alloys. These findings integrate insights from the field of alloy material science into crucial combustion applications, serving as an atomistic guide for developing manufacturing techniques.

Giant manipulation of thermal conductivity anisotropy in black phosphorene under external electric fields.

The thermal anisotropy of materials holds significant theoretical and practical implications in the domains of thermal transport and thermoelectricity. Black phosphorene, a novel two-dimensional (2D) semiconductor, is notable for its exceptional chemical and physical properties, attracting substantial attention for its thermal transport characteristics. Similar to other 2D materials, black phosphorene exhibits pronounced in-plane thermal anisotropy. Given its expanding applications in nanoelectronics, optoelectronics, and thermoelectrics, there is a growing need to manipulate its anisotropic thermal transport. Current methods for adjusting anisotropy or isotropy typically involve structural engineering or materials processing, which are often costly, time-consuming, and irreversible. In contrast, little progress has been made with methods that are intact, robust, and reversible. Driven by the intrinsic relationship between interatomic interaction-mediated phonon transport and electronic charges, we conduct a comprehensive investigation into the impact of an external electric field on the thermal transport properties of 2D black phosphorene using first-principles calculations and the phonon Boltzmann transport equation. Our findings reveal that applying an electric field in the Zigzag direction reduces the lattice thermal conductivity of black phosphorene, with the Zigzag direction being more responsive to the electric field than the Armchair direction. By adjusting the electric field to a maximum of E(f_xx) = 0.2 V Å-1, the anisotropic thermal conductivity of black phosphorene decreases by more than 28%, demonstrating effective manipulation of anisotropy. This significant transition in anisotropic thermal transport arises from the substantial reduction in thermal conductivity along the Zigzag direction at moderate electric field strengths. The underlying cause of this variation in anisotropy can be attributed to changes in group velocity, with the phonon lifetime serving as a scaling factor for reducing anisotropy. Analysis of the electronic structures shows that stronger electric fields induce more charges, enhancing the screening effect. The electric field significantly alters thermal conductivity by affecting bond ionicity and anharmonicity. Our study introduces a robust approach for tuning the anisotropy of phonon transport in materials using an external electric field, without altering the atomic structure, thus offering considerable advantages for applications in nanoelectronics and thermoelectric energy conversion.

Coherent and incoherent phonon transport in periodic nitrogen-doped graphene

Nitrogen-doped graphene materials hold significant promise for diverse applications owing to their exceptional electrical properties and the tunability of thermal conductivity. Therefore, the non-equilibrium molecular dynamics simulations were used to explore the phonon transport properties of nitrogen-doped graphene nanoribbons. The findings indicate that periodic doping with a small quantity of nitrogen atoms can induce coherent phonon transport, thereby resulting in a substantial reduction in thermal conductivity. Our analysis delves into various phonon and energy transport parameters, including the phonon dispersion relation, group velocity, state density, participation rate, and spectral heat flow. Through this examination, we have elucidated the coexistence and transformation mechanisms of both coherent and incoherent phonon transport under different conditions. Furthermore, our findings revealed a notable trend: once the concentration of nitrogen atoms in the doped atomic layer reaches 37.5%, the reduction in thermal conductivity attains its maximum effectiveness. Beyond this concentration, further increases in the nitrogen atom concentration result in diminishing returns, rendering the reduction in thermal conductivity ineffective.

Direct observation of large electron\u2013phonon interaction effect on phonon heat transport

As a foundational concept in many-body physics, electron–phonon interaction is essential to understanding and manipulating charge and energy flow in various electronic, photonic, and energy conversion devices. While much progress has been made in uncovering how phonons affect electron dynamics, it remains a challenge to directly observe the impact of electrons on phonon transport, especially at environmental temperatures. Here, we probe the effect of charge carriers on phonon heat transport at room temperature, using a modified transient thermal grating technique. By optically exciting electron-hole pairs in a crystalline silicon membrane, we single out the effect of the phonon–carrier interaction. The enhanced phonon scattering by photoexcited free carriers results in a substantial reduction in thermal conductivity on a nanosecond timescale. Our study provides direct experimental evidence of the elusive role of electron–phonon interaction in phonon heat transport, which is important for understanding heat conduction in doped semiconductors. We also highlight the possibility of using light to dynamically control thermal transport via electron–phonon coupling.

Self-compensation induced vacancies for significant phonon scattering in InSb

Phonon scattering by point defects via mass differences and strain fluctuations could effectively reduce the lattice thermal conductivity. The atomic mass difference can be maximized by introducing the vacancies thus leading to a significant phonon scattering. Usually, the vacancies are introduced by tuning the stoichiometry or forming solid solution with certain compound that contains intrinsically high concentration of vacancies. In this work, we demonstrate that vacancies can be effectively induced by the self-compensation effect via chemical doping. Indium (In) vacancies in InSb were induced by Te-doping and a substantial reduction in thermal conductivity was observed. Room temperature lattice thermal conductivity of the melted and then hot-pressed InSb (without In vacancies) is ~ 14.5 W m−1 K−1 but only ~ 3.8 W m−1 K−1 for InSb0.96Te0.04 (with In vacancies), a reduction of ~ 74%. The advantage of using this strategy for phonon engineering lies in the fact that a substantial reduction in thermal conductivity can be achieved even when the dopant concentration is rather low. Since the self-compensation effect is widely observed in different compounds, it indicates that the vacancy engineering strategy used here is also applicable to a variety of other materials to effectively reduce the lattice thermal conductivity.

Enhanced thermoelectric performance of In2O3-based ceramics via Nanostructuring and Point Defect Engineering.

The issue of how to improve the thermoelectric figure of merit (ZT) in oxide semiconductors has been challenging for more than 20 years. In this work, we report an effective path to substantial reduction in thermal conductivity and increment in carrier concentration, and thus a remarkable enhancement in the ZT value is achieved. The ZT value of In2O3 system was enhanced 4-fold by nanostructuing (nano-grains and nano-inclusions) and point defect engineering. The introduction of point defects in In2O3 results in a glass-like thermal conductivity. The lattice thermal conductivity could be reduced by 60%, and extraordinary low lattice thermal conductivity (1.2 W m−1 K−1 @ 973 K) below the amorphous limit was achieved. Our work paves a path for enhancing the ZT in oxides by both the nanosturcturing and the point defect engineering for better phonon-glasses and electron-crystal (PGEC) materials.

Influence of nanoscale Ag2Te precipitates on the thermoelectric properties of the Sn doped P-type AgSbTe2 compound

We report a maximal figure of merit (ZT) value of 1.1 at 600 K was obtained for the sample of which x = 0.03, representing an enhancement greater than 20% compared with a pristine AgSbTe2 sample. This favorable thermoelectric performance originated from the optimal Sn2+ substitution for Sb3+ in AgSbTe2, which not only increased electrical conductivity but also led to a substantial reduction in thermal conductivity that was likely caused by an enhanced phonon-scattering mechanism through the combined effects of lattice defects and the presence of Ag2Te nanoprecipitates dispersed in the matrix.

Extraordinary electron and phonon transport through metal-semiconductor hybrid nanocomposite: decoupling electrical and thermal conductivities for thermoelectric application

We report a simple method involving mechanical attrition followed by hot press sintering to fabricate tablet samples consisting of silver nanoparticles (Ag NPs) dispersed in luminescent silicon nanocrystal (Si NC) matrix. A dramatic increase in current by almost six orders of magnitude is observed for this type of Si NC-Ag NP hybrid nanocomposite compared with bare Si NC-based tablets. Collective charge transport through such hybrid system exhibits unexpected and fascinating characteristics. On the other hand, a remarkable reduction in thermal conductivity by two orders of magnitude is observed in the Si NC-Ag NP nanocomposite compared with the bulk counterpart. This is due to the combined effect of reduction in thermal conductivity of individual NPs and enhanced phonon scattering at the interface. We have, therefore, successfully decoupled electrical and thermal conductivity, which is not possible in any bulk material. The huge increase in electrical conductivity with substantial reduction in thermal conductivity makes this hybrid system amenable for designing efficient thermoelectric with high thermoelectric figure of merit, which has remained a significant challenge.

Reduction in thermal conductivity of Bi–Te alloys through grain refinement method

Ternary alloys of thermoelectric materials Bi–Sb–Te and Bi–Se–Te of molecular formula, Bi0·5Sb1·5Te3 (p type) and Bi0·36Se0·064Te0·576 (n type), were prepared by mechanical alloying method. The preparation of materials by mechanical alloying method has effectively reduced the thermal conductivity by generating a large number of induced grain boundaries with required degree of disorder. The process of frequent milling was adapted for grain refinement. Substantial reduction in thermal conductivity was achieved due to nano-structuring of these alloys. Thermal conductivity values were found to be very low at room temperature, 0·5 W/mK and 0·8 W/mK, respectively for p and n type materials.

The effects of dual doping on the thermoelectric properties of Ca3−xMxCo4−yCuyO9 (M = Na, La)

The effects of dual doping on the thermoelectric properties of Ca3−xMxCo3.8Cu0.2O9 (M=Na, La, x=0.1, 0.2, 0.3) have been systematically investigated, with Ca3−xMxCo3.8Cu0.2O9 powders synthesized using sol–gel method, and then consolidated into bulk ceramics by spark plasma sintering. It is found that dual doping by Cu and La results in substantial increase in electric conductivity and small decrease in Seebeck coefficient, while dual doping by Cu and Na increase Seebeck coefficient and decrease electric conductivity slightly. Both types of doping enhance power factor and reduce thermal conductivity simultaneously in general, with substantial reduction in thermal conductivity observed in dual doping of Cu and La. These lead to enhancement in thermoelectric figure of merit by both types of doping in general, with ZT value of Ca2.8La0.2Co3.8Cu0.2O9 78.07% higher than Ca3Co4O9 and 57.36% higher than Ca3Co3.8Cu0.2O9 near 773K. These results suggest that dual doping by Cu and La is effective in enhancing thermoelectric figure of merit of Ca3Co4O9.

Control of Thermal and Electronic Transport in Defect-Engineered Graphene Nanoribbons

The influence of the structural detail and defects on the thermal and electronic transport properties of graphene nanoribbons (GNRs) is explored by molecular dynamics and non-equilibrium Green's function methods. A variety of randomly oriented and distributed defects, single and double vacancies, Stone-Wales defects, as well as two types of edge form (armchair and zigzag) and different edge roughnesses are studied for model systems similar in sizes to experiments (>100 nm long and >15 nm wide). We observe substantial reduction in thermal conductivity due to all forms of defects, whereas electrical conductance reveals a peculiar defect-type-dependent response. We find that a 0.1% single vacancy concentration and a 0.23% double vacancy or Stone-Wales concentration lead to a drastic reduction in thermal conductivity of GNRs, namely, an 80% reduction from the pristine one of the same width. Edge roughness with an rms value of 7.28 Å leads to a similar reduction in thermal conductivity. Randomly distributed bulk vacancies are also found to strongly suppress the ballistic nature of electrons and reduce the conductance by 2 orders of magnitude. However, we have identified that defects close to the edges and relatively small values of edge roughness preserve the quasi-ballistic nature of electronic transport. This presents a route of independently controlling electrical and thermal transport by judicious engineering of the defect distribution; we discuss the implications of this for thermoelectric performance.

Toward high-performance nanostructured thermoelectric materials: the progress of bottom-up solution chemistry approaches

Significant research effort has recently gone into the synthesis of thermoelectric nanomaterials through different chemical approaches since nanomaterials chemistry became a promising strategy for improving thermoelectric performance. Different thermoelectric nanocrystals, especially PbTe, Bi2Te3 and CoSb3, with various compositions and morphologies have been successfully prepared by solvo/hydrothermal, electrochemical, and ligand-based synthesis methods. Such nanoscale materials show not only substantial reduction in thermal conductivity due to increased phonon scattering at nanoscale grain boundaries and lower densities of phonon states but possibly also an enhancement in thermopower due to electronic quantum size effects. More recently, the notoriously low power factors of thermoelectric nanomaterials prepared by wet chemistry have been significantly improved by using an increasingly cross-disciplinary approach towards the bottom-up synthesis that combines expertise from chemistry, physics, and materials engineering. In this review, we discuss the recent progress and current challenges of preparing thermoelectric nanomaterials with solution-based chemistry approaches.

Grain-size-dependent thermal conductivity of nanocrystalline yttria-stabilized zirconia films grown by metal-organic chemical vapor deposition

A grain-size-dependent reduction in the room-temperature thermal conductivity of nanocrystalline yttria-stabilized zirconia is reported for the first time. Films were grown by metal-organic chemical vapor deposition with controlled grain sizes from 10 to 100 nm. For grain sizes smaller than approximately 30 nm, a substantial reduction in thermal conductivity was observed, reaching a value of less than one-third the bulk value at the smallest grain sizes measured. The observed behavior is consistent with expectations based on an estimation of the phonon mean-free path in zirconia.

Thermoelectric Properties of Some Cobalt Phosphide-Arsenide Compounds

ABSTRACTSamples of CoP3, CoAs3 and CoP1.5As1.5 have been synthesized and their thermoelectric properties measured. All three samples show semiconducting behavior. The Seebeck coefficients of CoP3 and CoAs3 are weakly dependent on temperature and are relatively small with maximum values of about 40 and 50 μV/K, respectively. The Seebeck coefficient of the solid solution gradually decreases with increasing temperature and the values are larger than those of CoP3 and CoAs3 in the temperature range investigated, with a maximum value of about 89 μV/K near room temperature. The thermal conductivity of CoP3 and CoAs3 are higher than that of CoSb3, as can be expected from the effect of anionic size on lattice vibration. A substantial reduction in thermal conductivity was observed for the solid solution compared to the constituent binary compounds due to additional phonon scattering from lattice disorder and other possible point defects such as vacancies. Other compositions in the CoP3-xAsx system have also been synthesized and their thermoelectric properties are currently being investigated to provide essential information about lattice thermal conductivity reduction by point defect scattering and to further develop strategies for optimizing the thermoelectric properties of skutterudite materials.