Reduction In Thermal Conductivity Research Articles

Synergistic effect of fly ash and polyvinyl alcohol fibers in improving stability, rheology, and mechanical properties of 3D printable foam concrete

Foam concrete, a lightweight cellular cementitious mixture has gained significant attention globally due to its multifunctional properties. Employing such multifunctional material to additive manufacturing helps in reducing the material wastage, time for construction and cost of production. However, there are various challenges encountered in employing such material with conflicting attributes in 3D concrete printing technology. Therefore, it is important to address these challenging requirements (i.e. stability along with printability). In this study, fly ash and polyvinyl alcohol fibers are employed as sand replacement and reinforcing material respectively to improve stability, rheology and mechanical characteristics of 3D printable foam concrete. Initially, printability of the mixture is achieved through moderation of slump and slump flow. Further, these mixtures are studied for fresh density, rheological properties and buildability. Essential hardened properties like oven dry density, compressive strength, flexural strength, bond strength, and thermal conductivity are studied. Later, microstructural studies are conducted to analyze the variations in hardened properties. Results show that replacement of sand with fly ash has significant influence (more than 100%) in improving the printability (for both 1300 and 1000 kg/m3 densities), however it has negative impact on the stability of foam. Stability of foam concrete could be counteracted by adding the fibers which forms networks with the foam bubbles and reduced the breakage and coalescence. Nonetheless, addition of fly ash increased the mechanical performance and thermal conductivity, but the dry density is increased due to bubble breakage. Addition of fibers reduced dry density with significant reduction in thermal conductivity and minimal compromise in mechanical performance.

Simultaneous realization of high power factor and low thermal conductivity in medium-entropy La-doped (Sr1/3Ba1/3Ca1/3)1-xLaxTiO3 oxides with porous structure

Some studies have proven the effectiveness of high-entropy alloying in reducing lattice thermal conductivity; however, the synchronous degradation in carrier mobility limits the thermoelectric properties of high-entropy materials. Herein, we present a series of medium-entropy oxides (Sr1/3Ba1/3Ca1/3)1-xLaxTiO3 (x = 0.05, 0.1, 0.15) with different levels of La doping, breaking the trade-off between carrier and phonon transport. The medium-entropy design helps keep the carrier mobility at a moderate level while modulating the carrier concentration through La3+ doping, thereby yielding a peak power factor value of 1842 μW/(m⋅K2) at 773 K. Meanwhile, the incorporation of nano-micro-porous structure and medium entropy effect leads to a significant reduction in lattice thermal conductivity, reaching 2.3 W/(m⋅K) at 1073 K. Consequently, a ZTmax value of 0.67 is obtained for the MEP-10La sample at 1073 K, which is one of the state-of-the-art ZT values reported for the SrTiO3-based materials. The present work provides a viable approach for the development of thermoelectric materials with enhanced performance.

Thermoelectric performance enhancement of Pb-doped α -MgAgSb near room temperature

α-MgAgSb is taken as the p-type leg material for recently focused Mg-based thermoelectric devices because of the high thermoelectric performance near room temperature. However, the thermoelectric performance of α-MgAgSb is inhibited by the existence of the Ag-rich second phase. The ordinary methods like carrier concentration optimization and minimizing lattice thermal conductivity were nearly invalid because of the extremely low doping level for heteroatoms and intrinsically low lattice thermal conductivity. The crystal structure of α-MgAgSb can be viewed as Ag atom filled in half distorted hexahedron in the distorted rock salt skeleton formed by the Mg–Sb sublattice. In this work, by replacing the smaller Mg in the sublattice with Pb, the volume of the distorted hexahedron is effectively expanded to accommodate Ag atoms and then lead to the re-dissolution of Ag-rich second phase in the matrix. In addition, as Ag is the main source of low-frequency phonons, the enhanced lattice anharmonicity by Pb doping leads to stronger scattering of phonons in the distorted hexahedron and results in 20% reduction of lattice thermal conductivity in the temperature range of 300–500 K. Finally, the figure of merit zT is enhanced by ∼40% in the whole temperature range, demonstrating that lattice management is a promising method for the optimization of α-MgAgSb materials.

Thermal conductivity reduction due to phonon geometrical scattering in nano-engineered epitaxial germanium

Nano-engineering crystalline materials can be used to tailor their thermal properties. By adding new nanoscale phonon scattering centers and controlling their size, one can effectively decrease the phonon mean free path, hence the thermal conductivity of a fully crystalline material. In this Letter, we use the 3ω method in the temperature range of 100–300 K to experimentally report on the more than threefold reduction of the thermal conductivity of an epitaxially grown crystalline germanium thin film with embedded polydispersed crystalline Ge3Mn5 nano-inclusions with diameters ranging from 5 to 25 nm. A detailed analysis of the structure of the thin film coupled with Monte Carlo simulations of phonon transport highlights the role of the nano-inclusions volume fraction in the reduction of the phononic contribution to the thermal conductivity, in particular its temperature dependence, leading to a phonon mean free path that is set by geometrical constraints.

Thermophysical Properties of Compressed Earth Blocks Incorporating Natural Materials

Building materials are responsible for significant CO2 emissions and energy consumption, both during production and operational phases. Earth as a building material offers a valuable alternative to conventional materials, as it naturally provides high hygrothermal comfort and air quality even with passive conditioning systems. However, disadvantages related to high density, conductivity, and wall thickness prevent its effective inclusion in the mainstream. This research explores enhancing the thermophysical properties of compressed earth blocks (CEBs) by using locally sourced natural materials. The study is framed in the Portuguese context and the natural materials involved are wheat straw (WS) as a by-product of wheat harvesting, cork granules (CGs) from bottle caps, and ground olive stone (GOSs) residues from olive oil production. Blocks were produced with different mixtures of these materials and the thermal response was examined in a hot box apparatus. Best results include a 20 and 26% reduction in thermal conductivity for mixtures with 5v.% CG and 10v.% GOS, respectively, and an associated reduction in bulk density of 3.8 and 5.4%. The proposed approach therefore proves to be effective in improving the key thermophysical characteristics of CEBs. The article includes a comparative analysis of the experimental data from this study with those from the literature. The study contributes to the growing knowledge of sustainable materials, providing insights for researchers and practitioners looking for innovative solutions for low-carbon and energy-efficient materials.

Probing the origin of abnormally strong electron-phonon interaction in phonon transport of semiconductor C3B monolayer

Recently, the two-dimensional semiconductor C3B monolayer has attracted much attention owing to its excellent physical, optical, and electronic properties. In this work, the origin of electron-phonon interaction (EPI) on the thermal properties of C3B by n-type and p-type doping is systematically investigated via first-principles calculations to provide fundamental knowledge for the thermal management the C3B-based electronic devices. The carrier concentrations for the largest reduction of the lattice thermal conductivity (κ) appear at 4 × 1014 cm−2 for n-type and 9 × 1014 cm−2 for p-type, which is closely related to the electron density of states (DOS). The boron (B) atoms break the structural symmetry and induce mass disorder scattering, which renders C3B more prone to the influence of EPI. Moreover, the electronic band structure in the C3B monolayer exhibits multivalley characteristics, which leads to an intervalley scattering. It is worth noting that the anisotropy in the C3B monolayer can be significantly enhanced by EPI. Additionally, an abnormal phenomenon of strong electron-phonon scattering but low electron-phonon coupling strength is found in C3B monolayer, which indicates that large electron-phonon coupling strength is sufficient but not necessary for strong electron-phonon scattering.

Tuning Thermal Conductivity of Hybrid Perovskites through Halide Alloying.

Tuning the thermal transport properties of hybrid halide perovskites is critical for their applications in optoelectronics, thermoelectrics, and photovoltaics. Here, an effective strategy is demonstrated to modulate the thermal transport property of hybrid perovskites by halide alloying. A highly tunable thermal conductivity of mixed-halide hybrid perovskites is achieved due to halide-alloying and structural distortion. The experimental measurements show that the room temperature thermal conductivity of MAPb(BrxI1- x)3 (x = 0─1) can be largely modulated from 0.27 ± 0.07W m-1 K-1 (x = 0.5) to 0.47 ± 0.09W m-1 K-1 (x = 1). Molecular dynamics simulations further demonstrate that the thermal conductivity reduction of hybrid halide perovskites results from the suppression of the mean free paths of the low-frequency acoustic and optical phonons. It is found that halide alloying and the induced structural distortion can largely increase the scatterings of optical and acoustic phonons, respectively. The confined diffusion of MA+ cations in the octahedra cage is found to act as an additional thermal transport channel in hybrid perovskites and can contribute around 10-20% of the total thermal conductivity. The findings provide a strategy for tailoring the thermal transport in hybrid halide perovskites, which may largely benefit their related applications.

Enhancement of thermoelectric performance in Mg3(Sb,Bi)2 through engineered lattice strain and controlled carrier scattering

Mg3(Sb,Bi)2 emerges as a promising thermoelectric (TE) material due to its rich elemental composition and high TE performance, offering potential for industrial applications. In this study, we found out that the elevated sintering temperatures can introduce dislocations, vacancies, and nanoscale precipitates in the lattice, inducing desirable lattice strain. Higher lattice strain broadens the phonon dispersion, effectively reducing lattice thermal conductivity. Simultaneously, high-temperature sintering increases grain size, significantly mitigating grain boundary carrier scattering and enhancing carrier mobility. As a result, we observe a 31.4 % increase in lattice strain, a 30 % reduction in lattice thermal conductivity, a 200 % rise in room temperature mobility, ultimately achieving an outstanding figure of merit (zT) of 1.7 at 750 K for Mg3.22Ho0.03Sb1.5Bi0.5. The synergistic effect of engineering lattice strain to minimize lattice thermal conductivity and controlling carrier scattering mechanisms to enhance mobility significantly provides a novel strategy to improve TE performance of Mg3(Sb,Bi)2-based materials.

Hydrogen evolution and thermal treatments for removal of plating induced impurities from Ni to extend life of solder joints

As operating temperatures and times continue to increase for solder joints with Ni pads, large voids inevitably form at the intermetallic compound (IMC) – solder interface when the IMC thickness nears 5 μm. This leads to a significant reduction of strength, thermal conductivity, and fatigue resistance, and in small joints, also to electromigration life degradation. We have identified the voiding root cause as the breakdown and subsequent outgassing of deposition-related Ni-oxo-hydroxide impurities, impractical to avoid during Ni commercial electroplating. This work takes as the starting point a successful post-deposition voiding-mitigation treatment with 24-hour annealing at 450 °C. It then explores the possibility of rendering this routine more practical by lowering the annealing temperature down to 250 °C. While that approach shows relatively limited success, an alternative strategy, involving treatment with hydrogen evolution reaction for one hour at room temperature, alone or in combination with thermal, leads to a substantial reduction in the voiding propensity.

First-Principles Study of Doped CdX(X = Te, Se) Compounds: Enhancing Thermoelectric Properties.

Isovalent doping offers a method to enhance the thermoelectric properties of semiconductors, yet its influence on the phonon structure and propagation is often overlooked. Here, we take CdX (X=Te, Se) compounds as an example to study the role of isovalent doping in thermoelectrics by first-principles calculations in combination with the Boltzmann transport theory. The electronic and phononic properties of Cd8Se8, Cd8Se7Te, Cd8Te8, and Cd8Te7Se are compared. The results suggest that isovalent doping with CdX significantly improves the thermoelectric performance. Due to the similar properties of Se and Te atoms, the electronic properties remain unaffected. Moreover, doping enhances anharmonic phonon scattering, leading to a reduction in lattice thermal conductivity. Our results show that optimized p-type(n-type) ZT values can reach 3.13 (1.33) and 2.51 (1.21) for Cd8Te7Se and Cd8Se7Te at 900 K, respectively. This research illuminates the potential benefits of strategically employing isovalent doping to enhance the thermoelectric properties of CdX compounds.

Unified deep learning network for enhanced accuracy in predicting thermal conductivity of bilayer graphene, hexagonal boron nitride, and their heterostructures

In this research, we utilized density functional theory (DFT) computations to perform ab initio molecular dynamics simulations and static calculations on graphene, hexagonal boron nitride, and their heterostructures, subjecting them to strains, perturbations, twist angles, and defects. The gathered energy, force, and virial information informed the creation of a training set comprising 1253 structures. Employing the Neural Evolutionary Potential framework integrated into Graphics Processing Units Molecular Dynamics, we fitted a machine learning potential (MLP) that closely mirrored the DFT potential energy surface. Rigorous validation of lattice constants and phonon dispersion relations confirmed the precision and dependability of the MLP, establishing a solid foundation for subsequent thermal transport investigations. A further analysis of the impact of twist angles uncovered a significant reduction in thermal conductivity, particularly notable in heterostructures with a decline exceeding 35%. The reduction in thermal conductivity primarily stems from the twist angle-induced softening of phonon modes and the accompanying increase in phonon scattering rates, which intensifies anharmonic interactions among phonons. Our study underscores the efficacy of the MLP in delineating the thermal transport attributes of two-dimensional materials and their heterostructures, while also elucidating the micro-mechanisms behind the influence of the twist angle on thermal conductivity, offering fresh perspectives for the design of advanced thermal management materials.

Understanding the anomalously low thermal properties of Zr3Ni3-xCoxSb4 thermoelectric material

By controlling the SPS temperature, we prepared Zintl Zr3Ni2.9Co0.1Sb4 samples, namely Co doping in Ni sites of Zr3Ni3Sb4, and investigated the corresponding thermoelectric properties. It was found that a significant reduction of the lattice thermal conductivity occurred due to Co-doping while tuning the SPS temperature slightly affected ZT values. The influence of aliovalent element Co doping on the phonon structure and transport properties of Zr3Ni3Sb4 was conducted through first-principles calculations. Co-doping enhanced phonon anharmonicity and induced a completely avoided crossing between acoustic and optical phonons, which resulted in the suppressed phonon velocity and lifetime, leading to a remarkable reduction in lattice thermal conductivity. Our finding enriches the understanding of aliovalent doping in thermal transport theories which should be applicable to other thermoelectric systems.

Realizing high conversion efficiency in all-ZrCoSb-based half-Heusler thermoelectric power generators

ZrCoSb-based thermoelectric materials exhibit promising potential for power generation applications due to their high performance in both p- and n-type constituents. In this work, a newly developed all-ZrCoSb-based module achieves a maximum conversion efficiency of ∼9.3% at a temperature difference of 668 K. This high conversion efficiency is enabled by the enhanced average thermoelectric properties for both types of ZrCoSb-based materials via Bi alloying and Sn/Ni doping. The hole and electron carrier concentrations were tuned to match the theoretically predicted optimized values, contributing to high weight mobility and power factor. Additionally, the increased mass and strain field fluctuations enhance point defect scattering, leading to a significant reduction in the lattice thermal conductivity of ZrCoSb. Consequently, peak zT values of ∼1.2 and ∼1.0 at 973 K were respectively obtained in p-type ZrCo(Sb0.5Bi0.5)0.85Sn0.15 and n-type ZrCo0.85Ni0.15Sb0.5Bi0.5, resulting in high average zT values of ∼0.75 and ∼0.51 in the temperature of 300 to 973 K. This work underscores the significant potential of all-ZrCoSb-based half-Heuslers in waste heat recovery.

High entropy pyrochlore (La0.3Gd0.3Ca0.4)2(Ti0.2Zr0.2Hf0.2Nb0.2Ta0.2)2O7 ceramic with amorphous-like thermal conductivity for environmental/thermal barrier coating applications

Low thermal conductivity and excellent mechanical strength are essential to pyrochlore A2B2O7 ceramic for environmental/thermal barrier coating applications. To collaboratively tailor the mechanical and thermal properties of A2B2O7 ceramic, a novel high entropy pyrochlore ceramic (La0.3Gd0.3Ca0.4)2(Ti0.2Zr0.2Hf0.2Nb0.2Ta0.2)2O7 with significant atomic radius and mass fluctuation is proposed by simultaneously introducing various elements with different valence states at A and B cation sites. The as-synthesized (La0.3Gd0.3Ca0.4)2(Ti0.2Zr0.2Hf0.2Nb0.2Ta0.2)2O7 exhibits enhanced fracture toughness (1.68 MPa m1/2), amorphous-like low thermal conductivity (1.45 W m–1 K–1 at 900 °C) and matched thermal expansion coefficient (9.0 × 10–6 K–1 at 1200 °C) with Al2O3/Al2O3 CMCs. The extensive misfits in atomic weight, ionic radius among the substitutional cations in combination with the intrinsic oxygen vacancies in the anion sublattice play significant roles in the thermal conductivity reduction of (La0.3Gd0.3Ca0.4)2(Ti0.2Zr0.2Hf0.2Nb0.2Ta0.2)2O7 ceramic. The combination of outstanding mechanical and thermal properties indicates that this type of material has a good application prospect for environmental/thermal barrier coatings.

High thermoelectric performance in Ti2OX2 (X = F, Cl) MOene: A first-principles study incorporating electron–phonon coupling

MXenes exhibit significant potential in thermoelectric materials owing to their exceptional electrical conductivity; however, their limited number of semiconductors restricts their application. Thus, it is highly desirable to expand the MXene family beyond carbides and nitrides to broaden their applications in thermoelectricity. In this work, we systematically investigate the thermoelectric transport of Ti2OX2 (X = F, Cl) MOene through comprehensively evaluating the electron–phonon coupling (EPC) from first principles. Our findings first emphasize the limitations of the deformation potential theory method and stress the importance of considering EPC. Ti2OF2 (Ti2OCl2) monolayer exhibits exceptional electronic transport, with Seebeck coefficients reaching 1483.87 (1206.22) μV/K and electrical conductivity reaching 9.5 × 105 (7.6 × 105) Ω−1 m−1 at room temperature for its N-type counterpart. Additionally, the presence of degenerate multiple valleys and peaks significantly enhances their electronic transport. For phonon transport, EPC results in a significant reduction in lattice thermal conductivity (kL) [e.g., at 300 K with 1.44 × 1015 (1.68 × 1015) cm−2 of hole, the reduction is 86.3% (73.3%) for Ti2OF2 (Ti2OCl2)]. Additionally, their kL demonstrates a strong correlation with the density of states at corresponding Fermi levels. Moreover, the kL and total thermal conductivity of P-type Ti2OF2 show T-independence, making it suitable for applications in aviation and thermal insulation materials. Finally, N-type Ti2OF2 and Ti2OCl2 demonstrate superior zT values of 0.63 and 0.9 at 900 K, respectively. This study provides in-depth insights into the superior thermoelectric properties of Ti2OX2 (X = F, Cl) MOene with considering EPC, providing a novel platform for the next-generation thermoelectric field.

The lattice thermal conductivity of hafnia: The influence of high-order scatterings and phonon coherence

Hafnia (HfO2) is a potential candidate for the high-k gate dielectrics in next-generation high-power electronics. Its thermal transport properties, which determine the performance of these related high-power electronics, are critical while rarely investigated. Here, the thermal transport properties of HfO2 in a wide temperature range of 300–2000 K with a phase transition between monoclinic and tetragonal phases at ∼1765 K, are systematically studied based on the temperature-dependent effective potential landscapes with both propagating and coherence thermal transport considered. It is found that the cage-like structure of monoclinic HfO2 results in the avoid crossing in the phonon band structures, which increases the three-phonon scattering largely. Some phonon modes with significant scattering matrix can have relatively larger 3ph and 4ph scattering rates in tetragonal HfO2. Consequently, the thermal conductivity of HfO2 is only 11.95–1.72 W/mK at 300–2000 K. Our results further show that propagating phonon channels dominate the thermal transport in HfO2 and contribute at least 70% to the total thermal conductivity. The rest of the thermal conductivity of HfO2 results from the coherence thermal transport channels, which is caused by the overlap of phonons. Four-phonon scatterings are found to be significant for the thermal transport in tetragonal HfO2, which can result in a thermal conductivity reduction of ∼50%. Our results here advance the understanding of the thermal transport in HfO2, which may benefit the performance optimization of HfO2-related electronics.

Effect of composite cooling strategy including phase change material and liquid cooling on the thermal safety performance of a lithium-ion battery pack under thermal runaway propagation

In this work, a composite cooling system including composite phase change material(CPCM) and liquid cooling is designed for battery pack, and the effects of coolant flow rate, battery spacing, thermal conductivity of CPCM, channel number of cooling plate on the safety performance of battery pack under thermal runaway propagation are studied. The results reveal that: (1)Coolant flow rate increase mainly delays the thermal runaway propagation on both sides of cooling plate. When the coolant flow rate is 0.029 m/s, the thermal runaway propagation time through the cooling plate is 32.9s, which is extended by 1.84 times than that at 0.009 m/s (2)Battery spacing increase delays thermal runaway propagation and changes the propagation path. (3)Thermal conductivity reduction of CPCM can significantly delay thermal runaway propagation, because the heat is concentrated in the periphery of the battery and is hard to transfer though CPCM and cooling plate. (4)Compared with other influence factors, channel number of cooling plate has less influence on the overall thermal runaway propagation time. When the channel number is between 5 and 1, the total thermal runaway time changes within 25.5s–27s. The conclusions in this work are helpful to design a safer thermal management system for lithium-ion battery packs.

Experimental investigation on optimization of the performance of gallium-based liquid metal with high thermal conductivity as thermal interface material for efficient electronic cooling

Effective thermal conduction between solid interfaces has emerged as a major bottleneck in heat dissipating heat from new-generation high-performance electronics. Gallium-based liquid metals (LMs), known for their high thermal conductivity, are gaining significant traction as thermal interface materials (TIMs) for enhanced thermal management. In this work, to address the key issues facing the application of gallium-based LMs as TIMs, including the lack of composition ratio data, poor coating performance and the need for improved thermal conductivity, two types of gallium-based LM-TIMs (Ga-In binary LM-TIMs and Ga-In-Sn ternary LM-TIMs) with different composition ratios were experimentally prepared, investigated and optimized. The thermal conductivities of the LM-TIMs at different temperatures (80 - 120 ℃) were tested, and the application reliability of the LM-TIMs was optimized by continuously destructing the oxide layer and filling micro copper particles. The influence of optimization parameters such as the duration of the destruction of oxide layer, the filling ratios of the particles and the particle size on the operation performance of the LM-TIMs was studied and analyzed. The results showed that the LM-TIMs exhibited excellent thermal conductivities of 29.6 - 38.5 W/(m·K), and the thermal conductivity increased with indium mass fraction and decreased with tin mass fraction. Significant improvements in coating performance were observed with the increase of the duration of destructing oxide layer, but it led to a reduction in thermal conductivity. Balancing coating performance and thermal conductivity, it was found that 30 min was the ideal duration. The filling of micro particles made up for the reduced thermal conductivity, and higher filling ratios and smaller particle sizes achieved better enhancement. In the experiment, a filling ratio of 5 % was appropriate because solidification occurred in LM-TIMs at higher filling ratios which weakened the thermal conductivity. This work provided valuable reference for the application and optimization of high thermal conductive gallium-based LM-TIMs.

Exploration of Textile-Silicone Composites and Materials for Personal Impact-Resistant Protection.

Conventional cushioning materials such as silicone sheets which have been recommended for resisting impact generally cause discomfort to the wearer from heat and perspiration. With the increasing need for personal protective equipment, textile-silicone composite structures are proposed in this study to reduce acute impact and moisture while enhancing thermal comfort. The influence of the composite structure and thickness on the mechanical and thermal properties of textile-silicone materials are systematically investigated. The results show that an additional knitted powernet fabric as a composite material can significantly improve the tensile properties of silicone rubber by up to 315%. However, only a slight improvement is found in the thermal conductivity (up to 16%), compression elasticity (up to 18%) and force reduction performance (up to 3.6%). As compared to inlaid spacer fabric, which has also been used for cushioning and preserving thermal comfort, the textile-silicone composites have higher tensile and compression elasticity, exhibit force reduction with the largest difference of 43% and are more thermally conductive, with increases more than 38%. The findings of this study introduced a cost-effective new silicone-textile composite for optimal impact protection and wear comfort for protective applications.

Thermal conductivity of crystalline Ge2Sb2Te5: lattice contribution and size effects in the cubic phase quantified by approach-to-equilibrium molecular dynamics

Approach-to-equilibrium molecular dynamics simulations are carried out for the cubic phase of crystalline Ge2Sb2Te5, using interatomic forces derived from a machine learning interatomic potential (MLIP) trained with ab initio calculations. The use of this MLIP potential significantly reduces the computational burden, allowing for the study of systems over 70 nm in length. Above 20 nm, the thermal conductivity of the lattice plateaus at 0.37±0.01  W K−1 m−1 in agreement with measurements reported in the literature. However, below 20 nm, size effects lead to a reduction in thermal conductivity which is systematically calculated.