{"title":"单层无定形碳的无序超均匀性和热传输","authors":"Nianjie Liang, Yuxi Wang, Bai Song","doi":"10.1007/s11433-024-2523-4","DOIUrl":null,"url":null,"abstract":"<div><p>Disordered hyperuniformity (DHU) is a recently discovered novel state of amorphous systems characterized by strongly suppressed density fluctuations at large length scales as in crystalline materials, which offers great potential for achieving unusual mechanical, electronic, and photonic properties. However, despite the fundamental and technological importance of thermal transport in amorphous solids, the effect of DHU remains largely unexplored. Here, we theoretically study thermal transport in a class of two-dimensional DHU materials—monolayer amorphous carbon (MAC). Beginning with a perfect graphene lattice, we continuously apply Stone-Wales transformations to generate a series of MAC models with varied degrees of disorder and defects, which are quantified through comprehensive structural analysis including the so-called hyperuniformity index (<i>H</i>), where a smaller <i>H</i> indicates a higher degree of hyperuniformity. Subsequently, we conduct molecular dynamics simulations to obtain the thermal conductivity (<i>κ</i>). A significant correlation between the thermal transport behavior and degree of hyperuniformity is observed, with the room-temperature <i>κ</i> decreasing from 26.3 to 5.3 W m<sup>−1</sup> K<sup>−1</sup> while <i>H</i> is tuned from 0.0004 to 0.024. Remarkably, two distinct transport regimes are identified, including a nearly-DHU regime at small <i>H</i> (< 0.005) where <i>κ</i> drops sharply and a non-DHU region at larger <i>H</i> where <i>κ</i> becomes relatively flat. Mode-resolved analysis reveals longer lifetime and higher participation ratio for the heat carriers in nearly-DHU MAC, implying that the hidden long-range correlations could support extended modes that enhance transport. Our work highlights the impact of DHU on the thermal properties of amorphous materials and represents a conceptual advancement that is worthy of future exploration.</p></div>","PeriodicalId":774,"journal":{"name":"Science China Physics, Mechanics & Astronomy","volume":"68 2","pages":""},"PeriodicalIF":6.4000,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Disordered hyperuniformity and thermal transport in monolayer amorphous carbon\",\"authors\":\"Nianjie Liang, Yuxi Wang, Bai Song\",\"doi\":\"10.1007/s11433-024-2523-4\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Disordered hyperuniformity (DHU) is a recently discovered novel state of amorphous systems characterized by strongly suppressed density fluctuations at large length scales as in crystalline materials, which offers great potential for achieving unusual mechanical, electronic, and photonic properties. However, despite the fundamental and technological importance of thermal transport in amorphous solids, the effect of DHU remains largely unexplored. Here, we theoretically study thermal transport in a class of two-dimensional DHU materials—monolayer amorphous carbon (MAC). Beginning with a perfect graphene lattice, we continuously apply Stone-Wales transformations to generate a series of MAC models with varied degrees of disorder and defects, which are quantified through comprehensive structural analysis including the so-called hyperuniformity index (<i>H</i>), where a smaller <i>H</i> indicates a higher degree of hyperuniformity. Subsequently, we conduct molecular dynamics simulations to obtain the thermal conductivity (<i>κ</i>). A significant correlation between the thermal transport behavior and degree of hyperuniformity is observed, with the room-temperature <i>κ</i> decreasing from 26.3 to 5.3 W m<sup>−1</sup> K<sup>−1</sup> while <i>H</i> is tuned from 0.0004 to 0.024. Remarkably, two distinct transport regimes are identified, including a nearly-DHU regime at small <i>H</i> (< 0.005) where <i>κ</i> drops sharply and a non-DHU region at larger <i>H</i> where <i>κ</i> becomes relatively flat. Mode-resolved analysis reveals longer lifetime and higher participation ratio for the heat carriers in nearly-DHU MAC, implying that the hidden long-range correlations could support extended modes that enhance transport. Our work highlights the impact of DHU on the thermal properties of amorphous materials and represents a conceptual advancement that is worthy of future exploration.</p></div>\",\"PeriodicalId\":774,\"journal\":{\"name\":\"Science China Physics, Mechanics & Astronomy\",\"volume\":\"68 2\",\"pages\":\"\"},\"PeriodicalIF\":6.4000,\"publicationDate\":\"2024-11-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Science China Physics, Mechanics & Astronomy\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s11433-024-2523-4\",\"RegionNum\":1,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Science China Physics, Mechanics & Astronomy","FirstCategoryId":"101","ListUrlMain":"https://link.springer.com/article/10.1007/s11433-024-2523-4","RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
无序超均匀性(DHU)是最近发现的非晶态系统的一种新状态,其特点是在大长度尺度上密度波动像晶体材料一样受到强烈抑制,这为实现不同寻常的机械、电子和光子特性提供了巨大的潜力。然而,尽管非晶态固体中的热传输具有重要的基础和技术意义,但 DHU 的影响在很大程度上仍未得到探索。在这里,我们从理论上研究了一类二维 DHU 材料--单层非晶碳 (MAC) 的热传输。从完美的石墨烯晶格开始,我们不断应用斯通-威尔士变换生成一系列具有不同无序和缺陷程度的 MAC 模型,并通过全面的结构分析(包括所谓的超均匀性指数(H),H 越小表示超均匀性程度越高)对其进行量化。随后,我们进行分子动力学模拟,以获得热导率(κ)。我们观察到热传输行为与超均匀度之间存在明显的相关性,当 H 从 0.0004 调整到 0.024 时,室温κ 从 26.3 W m-1 K-1 下降到 5.3 W m-1 K-1。值得注意的是,我们发现了两种截然不同的传输机制,包括在小 H (< 0.005) 时κ急剧下降的近似 DHU 机制,以及在大 H 时κ变得相对平缓的非 DHU 区域。模态分辨分析表明,在近 DHU 澳门银河娱乐场网址中,热载体的寿命更长,参与比更高,这意味着隐藏的长程相关性可以支持增强传输的扩展模态。我们的工作凸显了 DHU 对非晶材料热特性的影响,代表了一种概念上的进步,值得在未来进行探索。
Disordered hyperuniformity and thermal transport in monolayer amorphous carbon
Disordered hyperuniformity (DHU) is a recently discovered novel state of amorphous systems characterized by strongly suppressed density fluctuations at large length scales as in crystalline materials, which offers great potential for achieving unusual mechanical, electronic, and photonic properties. However, despite the fundamental and technological importance of thermal transport in amorphous solids, the effect of DHU remains largely unexplored. Here, we theoretically study thermal transport in a class of two-dimensional DHU materials—monolayer amorphous carbon (MAC). Beginning with a perfect graphene lattice, we continuously apply Stone-Wales transformations to generate a series of MAC models with varied degrees of disorder and defects, which are quantified through comprehensive structural analysis including the so-called hyperuniformity index (H), where a smaller H indicates a higher degree of hyperuniformity. Subsequently, we conduct molecular dynamics simulations to obtain the thermal conductivity (κ). A significant correlation between the thermal transport behavior and degree of hyperuniformity is observed, with the room-temperature κ decreasing from 26.3 to 5.3 W m−1 K−1 while H is tuned from 0.0004 to 0.024. Remarkably, two distinct transport regimes are identified, including a nearly-DHU regime at small H (< 0.005) where κ drops sharply and a non-DHU region at larger H where κ becomes relatively flat. Mode-resolved analysis reveals longer lifetime and higher participation ratio for the heat carriers in nearly-DHU MAC, implying that the hidden long-range correlations could support extended modes that enhance transport. Our work highlights the impact of DHU on the thermal properties of amorphous materials and represents a conceptual advancement that is worthy of future exploration.
期刊介绍:
Science China Physics, Mechanics & Astronomy, an academic journal cosponsored by the Chinese Academy of Sciences and the National Natural Science Foundation of China, and published by Science China Press, is committed to publishing high-quality, original results in both basic and applied research.
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