Advances of phononics in 2012—2022

Due to its great potential applications in thermal management, heat control, and quantum information, phononics has gained increasing attentions since the first publication in Rev. Mod. Phys. 84 1045 (2012). Many theoretical and experimental progresses have been achieved in the past decade. In this paper, we first give a critical review of the progress in thermal diodes and transistors, especially in classical regime. Then, we give a brief introduction to the new developing research directions such as topological phononics and quantum phononics. In the third part, we discuss the potential applications. Last but not least, we point out the outlook and challenges ahead.     

A scaling limit for the length of the longest cycle in a sparse random digraph

We discuss the length of the longest directed cycle in the sparse random digraph , constant. We show that for large there exists a function such that a.s. The function where is a polynomial in . We are only able to explicitly give the values , although we could in principle compute any .     

1,3,5-三(羧基甲氧基)苯镍配位聚合物的合成、晶体结构及性质研究

采用溶剂热法,1,3,5-三(羧基甲氧基)苯为定向配体和乙酸镍反应构筑了一个新型的金属配位聚合物[Ni(TB)₂(H₂O)₂]_n·2H₂O,其中H₃TB=1,3,5-三(羧基甲氧基)苯,通过元素分析、IR及X射线单晶衍射对配合物结构进行表征,并研究其荧光性质、热稳定性及Hirshfeld表面作用力。单晶结构分析表明,该配合物属于三斜晶系,空间群$P \overline{1}$,配合物中心离子Ni(Ⅱ)分别与来自两个水分子上的氧原子及四个不同1,3,5-三(羧基甲氧基)苯配体的羧酸氧原子配位,形成六配位的NiO₆八面体构型,并通过与1,3,5-三(羧基甲氧基)苯配体的氧原子配位不断延伸形成具有孔洞结构的一维链状构型。配合物具有良好的荧光性能和热稳定性。Hirshfeld表面作用分析表明配合物分子中O…H/H…O作用占主导且占比为39.0%,而H…H的作用力占比为25.9%,O…O的作用力占比为13.6%。     

Negative thermal expansion in NbF_3 and NbOF_2:A comparative theoretical study

Thermal expansion control is always an obstructive factor and challenging in high precision engineering field. Here,the negative thermal expansion of Nb F_3 and Nb OF_2 was predicted by first-principles calculation with density functional theory and the quasi-harmonic approximation(QHA). We studied the total charge density, thermal vibration, and lattice dynamic to investigate the thermal expansion mechanism. We found that the presence of O induced the relatively strong covalent bond in Nb OF_2, thus weakening the transverse vibration of F and O in Nb OF_2, compared with the case of Nb F_3.In this study, we proposed a way to tailor negative thermal expansion of metal fluorides by introducing the oxygen atoms.The present work not only predicts two NTE compounds, but also provides an insight on thermal expansion control by designing chemical bond type.     

Hamiltonian cycles in 7-tough (P3 ∪ 2P1)-free graphs

The toughness of a noncomplete graph G is the maximum real number t such that the ratio of $|S|$ to the number of components of $G?S$ is at least t for every cutset S of G. Determining the toughness for a given graph is NP-hard. Chvátal's toughness conjecture, stating that there exists a constant $t_0$ such that every graph with toughness at least $t_0$ is hamiltonian, is still open for general graphs. A graph is called $(P_3\cup 2P_1)$-free if it does not contain any induced subgraph isomorphic to $P_3\cup 2P_1$, the disjoint union of $P_3$ and two isolated vertices. In this paper, we confirm Chvátal's toughness conjecture for $(P_3\cup 2P_1)$-free graphs by showing that every 7-tough $(P_3\cup 2P_1)$-free graph on at least three vertices is hamiltonian.     

金刚石衬底上GaN HEMT沟道温度建模:各向异性且非均匀热导率的影响

为了改善GaN HEMT的自热效应,集成高热导率的金刚石衬底有助于增强器件有源区的热量耗散。然而,化学气相淀积(CVD)生长的多晶金刚石(PCD)具有柱状晶粒结构,导致了各向异性的材料热导率,且其热导率值与生长厚度有关。为此,通过建模金刚石生长过程中晶粒尺寸的演变过程,计算了金刚石沿面内和截面方向的热导率。基于该PCD热导率模型,利用计入材料非线性热导率的GaN器件热阻解析模型,计算得到了GaN HEMT沟道温度的波动范围,并分析了其与器件结构(栅长、栅宽、栅间距、衬底厚度)和功耗的依赖关系。最后,通过与有限元(FEM)仿真结果对比,分区域提取了GaN HEMT器件中PCD衬底的有效热导率,分别为260~310 W/(m·K)和1 250~1 450 W/(m·K)。本文的计算为预测金刚石衬底上GaN HEMT器件的沟道温度提供了快速、有效的方法。     

基于抛光基材的热蒸镀铜箔生长高平整单层石墨烯薄膜

在石墨烯的化学气相沉积工艺中,铜箔是决定石墨烯薄膜质量的重要因素。传统铜箔由于制备工艺的限制,存在大量的缺陷,导致石墨烯薄膜的成核密度较高。本工作选用抛光铝板、抛光不锈钢板、微晶玻璃和SiO₂/Si作为基材,用热蒸镀法制备了不同粗糙度的铜箔,并详细讨论了以该系列铜箔生长高平整度石墨烯薄膜的条件及铜箔对石墨烯薄膜品质的影响。实验结果表明,铜箔以(111)取向为主,与基材分离后,表面具有纳米级平整度。在生长石墨烯后,从SiO₂/Si剥离的铜箔成核密度是4种基材中最小的。同时,从SiO₂/Si剥离的铜箔晶体结构变化最不明显,具有良好的结晶性,表面几乎不存在铜晶界缺陷。当压强为3 000 Pa,氢气和甲烷流速分别为300 mL/min和0.5 mL/min时,可以获得约1 mm横向尺寸的石墨烯单晶晶畴。     

The pentacene films on the glass/ITO surface: structure and optical properties

Abstract

The structure, morphology and optical transmittance spectra of pentacene films on the (glass/ITO) surface were studied. The films were grown by two methods - the thermal vacuum deposition (TVD) and pulsed laser deposition (PLD). The electron diffraction pattern from thermally deposited pentacene films confirms their polycrystalline structure while the diffraction pattern of PLD-coated layers has a diffusion character. The results obtained showed that layers deposited by the TVD method has an optical spectrum that is characteristic for the pentacene film in contrary to the layers deposited by the PLD method. It is found a sensitivity of the optical transmittance of pentacene films to the ammonia action, which may be used for development the optical gas sensor.