Low Thermal Conductivity of Paperclip-Shaped Graphene Superlattice Nanoribbons

We design some graphene superlattice structures with ultra-low thermal conductivity 121 W//mK, which is only 6~ of the straight graphene nanoribbons. The thermal conductivity of graphene superlattice nanoribbons （GSNRs） is investigated by using molecular dynamics simulations. It is reported that the thermal conductivity of graphene superlattiee nanoribbons is significantly lower than that of the straight graphene nanoribbons （GNRs）. Compared with the phonon spectra of straight GNRs, GSNRs have more forbidden bands. The overlap of phonon spectra between two supercells is shrinking.

Preparation,Performance and Slag Resistant Mechanism of Low Thermal Conductivity Microporous Corundum

The microporous corundum material was prepared using alumina micro-powder as the main raw material, alumina sol and starch as binders by a wet process, achieving the bulk density of 3.05 g · cm^-3, the apparent porosity of 9. 1%, the closed porosity of 12.3%, the median pore diameter of 0. 43 μm, and the thermal conductivity of 6. 5 W· m^-1· K^-1 at 800 ℃ which is 41.6% lower than that of common corundum. The slag resistance of the microporous corundum material was studied by immersion and compared with that of the common corundum aggregate, and the slag resistant mechanism of microporous corundum material was revealed. The results show that the slag resistance of the microporous corundum material is superior to that of the common corundum aggregate, the SEM and EDX show that on the reaction interface between microporous corundum and molten, slag, a continuous isolation layer with a large quantity of CA2 and CA6 columnar crystals is formed; while the common corundum aggregate reacts with the molten slag interface to form a discontinuous isolation layer of columnar crystals, through which a lot of molten slag corrodes or permeates into the aggregate. The mechanism is mainly that the microporous structure is more advantageous to nucleation and growth of CA2 and CA6 columnar crystals; in the reaction with the aggregate, the molten slag gets saturated and the critical solution thickness of the microporous corundum and the common corundum is 0. 16 μm and 0. 34 μm, respectively, this is caused by the smaller microporous corundum aggregate pores; and the smaller pores also increase the second phase ripening rate of microporous corundum, which is 9. 7 times of that of the common corundum.

Discovery of ABO_(4)scheelites with the extra low thermal conductivity through high-throughput calculations

Searching for new materials with extra low thermal conductivities is significant in numerous fields like thermal barrier coatings and thermoelectric devices.Traditional multiple-component design has successfully reduced the thermal conductivity,but it also dramatically increases the complexity of manufactural technologies and the risk of material failures.In this work,a specific category known as ABO_(4) scheelites that with both simple crystal structure and the structural signature of the low lattice thermal conductivity is explored.High-throughput calculations are employed to screen for the materials with the targeted performance by multi-dimensional mechanical/thermal property criteria and a database of 46 stable scheelites is constructed.Seven scheelites with both ultra-low thermal conductivities(<1.2 W/(m∙K))and quasi-ductility are predicted to be novel thermal insulation materials.Low thermal conductivities prefer the scheelites with large valence disparity between“A”and“B”cations and/or small ionic radius ratio.The adopted strategy starting from the structural fingerprint and the data-driven material selection is expected to be a reference of future structural and functional ceramics design.

CuPbBi_(5)S_(9) thermoelectric material with an intrinsic low thermal conductivity:Synthesis and properties

CuPbBi_(5)S_(9) compounds have been investigated as gladite for years.However,there have been no significant studies on their physical and chemical properties.This work demonstrates that upon alloying with moderate Cu,Pb,Bi,and S using an appropriate preparation method,quaternary CuPbBi_(5)S_(9) compounds can exhibit excellent figure of merit ZT within the temperature range 298-723 K.A low average velocity,low Young’s modulus and Debye temperature,and large Grüneisen parameter,determined experimentally,indicate strong lattice anharmonicity in CuPbBi_(5)S_(9) crystals.Furthermore,density functional theory calculations(local vibration of low-frequency acoustic phonons)justify the low lattice thermal conductivity of CuPbBi_(5)S_(9) compounds.Because of the low thermal conductivity(0.514 W m^(-1)K^(-1))and a relatively high power factor(293 μW m^(-1)K^(-2)),a maximum ZT of 0.42 was achieved at 723 K for CuPbBi_(5)S_(9) prepared by mechanical alloying combined with solid-state melting.Thus,CuPbBi_(5)S_(9) materials are promising candidates for use as high-performance thermoelectric materials in the intermediate-temperature range.

Prediction of lattice thermal conductivity with two-stage interpretable machine learning

Thermoelectric and thermal materials are essential in achieving carbon neutrality. However, the high cost of lattice thermal conductivity calculations and the limited applicability of classical physical models have led to the inefficient development of thermoelectric materials. In this study, we proposed a two-stage machine learning framework with physical interpretability incorporating domain knowledge to calculate high/low thermal conductivity rapidly. Specifically, crystal graph convolutional neural network(CGCNN) is constructed to predict the fundamental physical parameters related to lattice thermal conductivity. Based on the above physical parameters, an interpretable machine learning model–sure independence screening and sparsifying operator(SISSO), is trained to predict the lattice thermal conductivity. We have predicted the lattice thermal conductivity of all available materials in the open quantum materials database(OQMD)(https://www.oqmd.org/). The proposed approach guides the next step of searching for materials with ultra-high or ultralow lattice thermal conductivity and promotes the development of new thermal insulation materials and thermoelectric materials.

Analysis of the Performances of a New Type of Alumina Nanocomposite Structural Material Designed for the Thermal Insulation of High-Rise Buildings

The sol-gel method is used to prepare a new nano-alumina aerogel structure and the thermal properties of this nanomaterial are investigated comprehensively using electron microscope scanning,thermal analysis,X-ray and infrared spectrometer analysis methods.It is found that the composite aerogel alumina material has a multi-level porous nano-network structure.When employed for the thermal insulation of high-rise buildings,the alumina nanocomposite aerogel material can lead to effective energy savings in winter.However,it has almost no energy-saving effect on buildings where energy is consumed for cooling in summer.

Effects of Al particles and thin layer on thermal expansion and conductivity of Al-Y_2Mo_3O_(12) cermets

Low thermal expansion composites are difficult to obtain by using Al with larger positive thermal expansion coefficient（TEC） and the materials with smaller negative TECs. In this investigation, Y2Mo3O12 with larger negative TEC is used to combine with Al to obtain a low thermal expansion composite with high conductivity. The TEC of Al is reduced by 19%for a ratio Al：Y2Mo3O12 of 0.3118. When the mass ratio of Al：Y2Mo3O12 increases to 2.0000, the conductivity of the composite increases so much that a transformation from capacitance to pure resistance appears. The results suggest that Y2Mo3O12 plays a dominant role in the composite for low content of Al（presenting isolate particles）, while the content of Al increases enough to contact each other, the composite presents mainly the property of Al. For the effect of high content Al, it is considered that Al is squeezed out of the cermets during the uniaxial pressure process to form a thin layer on the surface.

An Effective Green Porous Structural Adhesive for Thermal Insulating,Flame-Retardant,and Smoke-Suppressant Expandable Polystyrene Foam

To develop an efficient way to overcome the contradiction among flame retardancy,smoke suppression,and thermal insulation in expanded polystyrene(EPS)foams,which are widely used insulation materials in buildings,a novel"green"porous bio-based flame-retard ant starch(FRS)coating was designed from starch modified with phytic acid(PA)that simultaneously acts as both a flame retardant and an adhesive.This porous FRS coating has open pores,which,in combination with the closed cells formed by EPS beads,create a hierarchically porous structure in FRS-EPS that results in superior thermal insulation with a lower thermal conductivity of 27.0 mW·(m·K)^(-1).The resultant FRS-EPS foam showed extremely low heat-release rates and smoke-production release,indicating excellent fire retardancy and smoke suppression.The specific optical density was as low as 121,which was 80.6%lower than that of neat EPS,at 624.The FRS-EPS also exhibited self-extinguishing behavior in vertical burning tests and had a high limiting oxygen index(LOI)value of 35.5%.More interestingly,after being burnt with an alcohol lamp for 30 min,the top side temperature of the FRS-EPS remained at only 140℃with ignition,thereby exhibiting excellent fire resistance.Mechanism analysis confirmed the intumescent action of FRS,which forms a compact phosphorus-rich hybrid barrier,and the phosphorus-containing compounds that formed in the gas phase contributed to the excellent flame retardancy and smoke suppression of FRS-EPS.This novel porous biomass-based FRS system provides a promising strategy for fabricating polymer foams with excellent flame retardancy,smoke suppression,and thermal insulation.

Preparation of Cellulose Acetate Butyrate Porous Micro/Nanofibrous Membranes and Their Properties

Cellulose acetate butyrate(CAB)is a cellulose ester that is commonly used in applications such as coatings and leather brighteners.However,its appearance in a fibrous form is rarely reported.CAB porous micro/nanofibrous membranes with a large number of nanopores on the fiber surface were successfully prepared by electrospinning with dichloromethane(DCM)/acetone(AC)as the mixed solvent.Apparent morphology,porosity,moisture permeability,air permeability,static water contact angles,and thermal conductivity of the fibrous membranes were investigated at different spinning voltages.The results showed that with the increase of the spinning voltage,the average fiber diameter of the CAB porous micro/nanofibrous membranes gradually decreased and the fiber diameter distribution was more uniform.When the spinning voltage reached 40 kV,the porosity reached 91.38%,the moisture permeability was up to 7430 g/(m^(2)·d),the air permeability was up to 36.289 mm/s,the static water contact angle was up to 145.0°,while the thermal conductivity of the fibrous membranes reached 0.030 W/(m·K).The material can be applied as thermal-insulation,waterproof and moisture-permeable membranes.

Low-thermal-conductivity thermal barrier coatings with a multi-scale pore design and sintering resistance following thermal exposure

High-insulation,long-life thermal barrier coatings(TBCs)decrease the service temperature of superalloys and improve the service life of gas turbines.Improvement in the thermal insulation properties of the coating mainly depends on the optimization of the TBC structure.An important challenge for TBCs is maintaining a high performance during thermal exposure without degradation,as the pore-rich structure of the topcoat would inevitably be transformed by sintering.A low-thermalconductivity anti-sintering coating can overcome the tradeoff between thermal insulation and sinter degradation.In this review,the design,preparation,and serviceability evaluation of a low-thermal-conductivity anti-sintering coating will be discussed.Furthermore,directions for potential development are introduced.This paper provides a comprehensive understanding of the structured tailoring of TBCs for better thermal insulation and anti-sintering performance.

High-entropy(Y0.2Nd0.2Sm0.2Eu0.2Er0.2)AlO3:A promising thermal/environmental barrier material for oxide/oxide composites

Yttrium aluminum perovskite(YAl O3)is a promising candidate material for environmental barrier coatings(EBCs)to protect Al2 O3 f/Al2 O3 ceramic matrix composites(CMCs)from the corrosion of high-temperature water vapor in combustion environments.Nevertheless,the relatively high thermal conductivity is a notable drawback of YAl O3 for environmental barrier coating application.Herein,in order to make REAl O3 more thermal insulating,a novel high-entropy rare-earth aluminate ceramic(Y0.2Nd0.2Sm0.2Eu0.2Er0.2)AlO3 was designed and synthesized.The as-prepared(Y0.2Nd0.2Sm0.2Eu0.2Er0.2)AlO3 ceramic possesses close thermal expansion coefficient(9.02×10-6/oC measured from room temperature to 1200℃)to that of Al2 O3.The thermal conductivity of(Y0.2Nd0.2Sm0.2Eu0.2Er0.2)AlO3 at room temperature is 4.1 W·m-1K-1,which is almost one third of the value of YAl O3.Furthermore,to effectively prevent the penetration of water vapor from possible pores/cracks of coating layer,which are often observed in T/EBCs,a tri-layer EBC system REAl O3/RE3 Al5 O12/(Al2 O3 f/Al2 O3 CMCs)is designed.Close thermal expansion coefficient to Al2 O3 and low thermal conductivity of(Y0.2Nd0.2Sm0.2Eu0.2Er0.2)AlO3,as well as the formation of dense garnet layer at(Y0.2Nd0.2Sm0.2Eu0.2Er0.2)AlO3/Al2 O3 interface,indicate that this new type of high-entropy ceramic is suitable as a candidate environmental barrier coating material for Al2 O3 f/Al2 O3 CMCs.

High entropy ultra-high temperature ceramic thermal insulator(Zr_(1/5)Hf_(1/5)Nb_(1/5)Ta_(1/5)Ti_(1/5))C with controlled microstructure and outstanding properties

Due to advancements of hypersonic vehicles,ultra-high temperature thermal insulation materials are urgently requested to shield harsh environment with superhigh heat flux.Toward this target,ultra-high temperature ceramics(UHTCs)are the only choice due to their excellent capability at ultra-high temperatures.We herein report a novel highly porous high entropy(Zr_(1/5)Hf_(1/5)Nb_(1/5)Ta_(1/5)Ti_(1/5))C fabricated by foam-gelcasting-freeze drying technology combined with in-situ pressureless reaction sintering.The porous(Zr_(1/5)Hf_(1/5)Nb_(1/5)Ta_(1/5)Ti_(1/5))C exhibited ultra-high porosity of 86.4%-95.9%,as well as high strength and low thermal conductivity of 0.70–11.77 MPa and 0.164–0.239 W/(m·K),respectively.Specifically,Si C sintering additive only locates at the pit of the surface of sintering neck between UHTC grains,and there is no secondary phase or intergranular film at the grain boundary.Besides,the oxidation resistance of high entropy carbide powders is greatly improved compared with that of the mixed five carbide powders.This work clearly highlights the merits of highly porous high entropy(Zr_(1/5)Hf_(1/5)Nb_(1/5)Ta_(1/5)Ti_(1/5))C as an ultra-high temperature thermal insulation material.

A simple Pb-doping to achieve bonding evolution, VSn and resonant level shifting for regulating thermoelectric transport behavior of SnTe

The intensification of energy crises and environmental pollution inspire researchers’attention to environment-friendly SnTe thermoelectric materials.In this work,we achieved a lower lattice thermal conductivity and optimized the power factor via the synergistic optimization of bonding characteristic,VSn,and resonant level for the SnTe system,respectively.Pb-introduction produces weak bonding strength,mass fluctuation,and stress distortion,which result in lower thermal conductivity.The lowest lattice thermal conductivity achieves 0.66 W m^(–1) K^(–1) at 773 K.Further introduced VSn relieves loss of electrical conductivity caused by Pb-introduction,and it also makes the bigger g(E)and up-shift of resonance level.The VSn,enhanced g(E),and resonant level make electrical conductivity and Seebeck coefficient enhance simultaneously.Finally,the further optimization of thermal and electronic transport performance contributes to a higher ZT value of∼0.86 at 773 K in the Sn_(0.685)Pb_(0.285)In_(0.015)Te_(0.7)Se_(0.3) sample.The strategy of bonding characteristic,VSn,and resonant level synergistic engineering will be widely applicable to various TE systems for achieving better thermoelectric performance.

Revealing the promising near-room-temperature thermoelectric performance in Ag_(2)Se single crystals

With high carrier mobility and intrinsic low lattice thermal conductivity,Ag_(2)Se compounds have attracted increasing attention for thermoelectric application near room temperature.Due to its phase transition at~406 K and resulting thermal volume expansion,the growth and thermoelectric properties of large-sized Ag_(2)Se single crystals have seldom been reported so far.In this work,the vertical Bridgeman method was used for growing bulk Ag_(2)Se single crystal,with an orientation preference along lowsymmetric(201)plane.The Hall mobility as high as 2000 cm^(2)/(V·s)and weak electron-phonon coupling contributes to a high electronic quality BE of~7.0 in near-room-temperature b-Ag_(2)Se single crystals,which is superior to the high-temperature phase a-Ag_(2)Se.The observed low lattice thermal conductivity of 0.8 W/(m·K)at 300 K is due to the low group speeds and strong anharmonicity.A promising peak zT of 0.66 at 375 K and an average zT of 0.65 at 300-375 K were realized in b-Ag_(2)Se crystals.The low Vickers hardness and good ductile properties were confirmed by experiment and theoretical analysis.This work not only synthesized large-sized and highly-orientated Ag_(2)Se crystals,but also revealed its great potential of thermoelectric performance and mechanical properties for various applications near room temperature.

Preparation and properties of CMAS resistant bixbyite structured high-entropy oxides RE_(2)O_(3)(RE=Sm,Eu,Er,Lu,Y,and Yb):Promising environmental barrier coating materials for Al_(2)O_(3)f/Al_(2)O_(3) composites

Y_(2)O_(3) is regarded as one of the potential environmental barrier coating(EBC)materials for Al_(2)O_(3)f/Al_(2)O_(3)ceramic matrix composites owing to its high melting point and close thermal expansion coefficient to Al_(2)O_(3).However,the relatively high thermal conductivity and unsatisfactory calcium-magnesium-aluminosilicate(CMAS)resistance are the main obstacles for the practical application of Y_(2)O_(3).In order to reduce the thermal conductivity and increase the CMAS resistance,four cubic bixbyite structured high-entropy oxides RE_(2)O_(3),including(Eu_(0.2)Er_(0.2)Lu_(0.2)Y_(0.2)Yb_(0.2))2O_(3),(Sm_(0.2)Er_(0.2)Lu_(0.2)Y_(0.2)Yb_(0.2))2O_(3),(Sm_(0.2)Eu_(0.2)Er_(0.2)Y_(0.2)Yb_(0.2))2O_(3),and(Sm_(0.2)Eu_(0.2)Lu_(0.2)Y_(0.2)Yb_(0.2))2O_(3)were designed and synthesized,among which(Eu_(0.2)Er_(0.2)Lu_(0.2)Y_(0.2)Yb_(0.2))2O_(3)and(Sm_(0.2)Er_(0.2)Lu_(0.2)Y_(0.2)Yb_(0.2))2O_(3)bulks were prepared by spark plasma sintering(SPS)to investigate their mechanical and thermal properties as well as CMAS resistance.The mechanical properties of(Eu_(0.2)Er_(0.2)Lu_(0.2)Y_(0.2)Yb_(0.2))2O_(3)and(Sm_(0.2)Er_(0.2)Lu_(0.2)Y_(0.2)Yb_(0.2))2O_(3) are close to those of Y_(2)O_(3) but become more brittle than Y_(2)O_(3).The thermal conductivities of(Eu_(0.2)Er_(0.2)Lu_(0.2)Y_(0.2)Yb_(0.2))2O_(3) and(Sm_(0.2)Er_(0.2)Lu_(0.2)Y_(0.2)Yb02)2O_(3)(5.1 and 4.6 W·m^(-1)·K^(-1))are only 23.8%and 21.5%respectively of that of Y_(2)O_(3)(21.4 W·m^(-1)·K^(-1)),while their thermal expansion coefficients are close to those of Y_(2)O_(3) and A12O_(3).Most importantly,HE RE_(2)O_(3) ceramics exhibit good CMAS resistance.After being attacked by CMAS at 1350℃for 4 h,the HE RE_(2)O_(3) ceramics maintain their original morphologies without forming pores or cracks,making them promising as EBC materials for Al_(2)O_(3)f/Al_(2)O_(3) composites.

具有超低热导率的一维铋硒卤族化合物

本征低热导率材料的研究具有重要的科学意义,已引起广泛关注.本工作报道了一类具有简单一维晶体结构的超低热导率材料:铋硒卤族化合物(BiSeX,X=Br,I).研究发现,BiSeI的热导率在573K仅为~0.27Wm^-1K^-1,达到了最低本征热导率的理论极限值.本研究采用第一性原理计算结合粉末中子衍射和变温球差扫描透射电子显微镜表征,深入探究了其超低热导率的机制.研究表明,BiSeX的一维结构赋予了材料低热导特性:弱的成键特性、低的声子速度、声学支和光学支的强非简谐性以及Bi和卤族元素较大的偏移效应,从而有效阻碍了声子输运,使得BiSeX具有超低的热导率.本研究提出了在具有一维结构的材料中寻找低传导特性的新思路,该研究思路在热电材料和热障涂层材料等低热传导需求领域中具有广阔的应用前景.