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Non-Fourier heat conduction models assume wave-like behavior does exist in the heat conduction process. Based on this wave-like behavior, thermal conduction controlled in a one-dimensional periodical structure, named thermal wave crystal, has been demonstrated through both theoretical analysis and numerical simulation based on the Cattaneo-Vernotte (CV) heat-conduction model. The transfer matrix method and Bloch analysis have been applied to calculate the band structure of thermal wave propagating in thermal wave crystals. And the temperature responses are obtained by using the FDTD method, which is also used to verify the correctness of the band structure. The results show that band gaps do exist due to the Bragg scattering. Then, a calculation method to predict the mid-gap frequency of band gaps for the thermal wave crystal has been introduced in this Letter. And key parameters determining the band gaps have been discussed. This study shows the potential applications of this novel mechanism, such as thermal imagining, thermal diodes and thermal waveguides.
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We report a study of magnetism and magnetic transitions of hexagonal ErMnO$_3$ single crystals by magnetization, specific heat and heat transport measurements. Magnetization data show that the $c$-axis magnetic field induces three magnetic transitions at 0.8, 12 and 28 T. The specific heat shows a peak at 2.2 K, which is due to a magnetic transition of Er$^{3+}$ moments. For low-$T$ thermal conductivity ($kappa$), a clear dip-like feature appears in $kappa(H)$ isotherm at 1--1.25 T for $H parallel ab$; while in the case of $H parallel c$, a step-like increase is observed at 0.5--0.8 T. The transition fields in $kappa(H)$ are in good agreement with those obtained from magnetization, and the anomaly of $kappa$ can be understood by a spin-phonon scattering scenario. The natures of magnetic structures and corresponding field-induced transitions at low temperatures are discussed.
We studied the thermal conductivity of graphene phononic crystal (GPnC), also named as graphene nanomesh, by molecular dynamics simulations. The dependences of thermal conductivity of GPnCs on both length and temperature are investigated. It is found that the thermal conductivity of GPnCs is significantly lower than that of graphene and can be efficiently tuned by changing the porosity and period length. For example, the ratio of thermal conductivity of GPnC to thermal conductivity of graphene can be changed from 0.1 to 0.01 when the porosity is changed from about 21% to 65%. The phonon participation ratio spectra reveal that more phonon modes are localized in GPnCs with larger porosity. Our results suggest that creating GPnCs is a valuable method to efficiently manipulate the thermal conductivity of graphene.
We design a class of spatially inhomogeneous heat spreaders in the context of steady-state thermal conduction leading to spatially uniform thermal fields across a large convective surface. Each spreader has a funnel-shaped design, either in the form of a trapezoidal prism or truncated cone, and is forced by a thermal source at its base. We employ transformation-based techniques, commonly used to study metamaterials, to determine the require thermal conductivity for the spreaders. The obtained materials, although strongly anisotropic and inhomogeneous, can be accurately approximated by assembling isotropic, homogeneous layers, rendering them realisable. An alternative approach is then considered for the conical and trapezoidal spreaders by dividing them into two or three isotropic, homogeneous components respectively. We refer to these simple configurations as neutral layers. All designs are validated numerically. Such novel designs pave the way for future materials that can manipulate and control the flow of heat, helping to solve traditional heat transfer problems such as controlling the temperature of an object and energy harvesting.
Piezoelectric crystals are widely used for acoustic wave resonators of different functioning modes and types including BAW and SAW. It is well-known that only some special orientations of crystals will exhibit desirable properties such as mode couplings, thermal sensitivity, acceleration sensitivity, and others that are important in design and applications of resonators. With extensive studies on physical properties in last decades and increasing industrial needs of novel products, it is necessary to comb the known knowledge of quartz crystal material for novel orientations and better products as agendas in the industry. With known material properties like elastic, piezoelectric, dielectric, and thermal constants, we can establish the relationships between vibrations and bias fields such as temperature to ensure a resonator immunizing from excessive response to changes causing significant degradation of resonator properties and performances. Since the theoretical framework of wave propagation in piezoelectric solids is known, we need to use the existing data and results for the validation of current orientations in actual products. The agreement will give us needed confidence of the theory and analytical procedures. Through rotations, we calculated physical properties as functions of angles and bias fields, enabling the calculation of resonator properties for the identification of optimal cuts. Such a procedure can also be applied to similar crystals for a careful examination of possible orientations to maximize the potential use of materials in acoustic wave resonators.
We explore how anharmonicity, nuclear quantum effects (NQE), many-body dispersion interactions, and Pauli repulsion influence thermal properties of dispersion-bound molecular crystals. Accounting for anharmonicity with $ab$ $initio$ molecular dynamics yields cell parameters accurate to within 2% of experiment for a set of pyridine-like molecular crystals at finite temperatures and pressures. From the experimental thermal expansion curve, we find that pyridine-I has a Debye temperature just above its melting point, indicating sizable NQE across the entire crystalline range of stability. We find that NQE lead to a substantial volume increase in pyridine-I ($approx 40$% more than classical thermal expansion at $153$ K) and attribute this to intermolecular Pauli repulsion promoted by intramolecular quantum fluctuations. When predicting delicate properties such as the thermal expansivity, we show that many-body dispersion interactions and sophisticated treatments of Pauli repulsion are needed in dispersion-bound molecular crystals.
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