Modelling of nanoscale phononic crystals

纳米级声子晶体的建模

基本信息

  • 批准号:
    RGPIN-2018-06563
  • 负责人:
  • 金额:
    $ 1.75万
  • 依托单位:
  • 依托单位国家:
    加拿大
  • 项目类别:
    Discovery Grants Program - Individual
  • 财政年份:
    2022
  • 资助国家:
    加拿大
  • 起止时间:
    2022-01-01 至 2023-12-31
  • 项目状态:
    已结题

项目摘要

The tremendous technological progress of the last century has been achieved to a large extent by a precise control of electrons and photons. If a similar level of control over phonons could be achieved, this might enable new technological breakthroughs. Possible applications include improved harvesting of waste energy, novel cooling techniques, new characterization methods for soft materials and signal processing devices. This research program focuses on the properties of two-dimensional nanostructures as candidates for phononic metamaterials. Periodic lattices built from nanoparticles and nanowires have unique vibrational properties that are different from isolated nanoparticles or nanowires and their corresponding bulk materials. The periodic structure of the material leads to the effect of Bragg scattering which can create forbidden frequency ranges called band gaps. Wave whose frequencies are in such a band gap cannot propagate through the material. Band gaps in a material can be used to guide signals through a strucutre and to build active communication devices. In addition to this, two-dimensional nanomaterials with specific, fine-tuned vibrational or thermal properties can be created through variations of the dimensions of the nanowires and nanoparticles.Periodic two-dimensional nanostructures have not been studied extensively yet. The first goal of this research program is therefore to obtain a basic understanding of the structure of the vibrational spectrum and the thermal conductivity of such assemblies and the factors that influence these properties. Specifically, the impact of imperfections, such as the grain boundaries at the interface between nanoparticles and nanowires, are studied. The main computational method utilized for the studying of the vibrational and thermal properties of model nanostructures is molecular dynamics simulation. Molecular dynamics simulations make it possible to study the vibrational spectrum as well as the thermal conductivity of a material on the same footing. In addition to this, they account for the effect of the atomic structure (including defects) of the nanoparticles and nanowires. Large-scale simulations of system with more than 10 million atoms are carried out on Compute Canada high-performance computers. These systems will use model potentials for silicon as well as simplified force modes. The molecular dynamics simulations are complemented by finite-element computations to obtain a better insight into the structure of the vibrational modes and to allow simulations of complete devices such as a waveguide or a hypersonic diode.
上个世纪的巨大技术进步在很大程度上是通过对电子和光子的精确控制而实现的。如果能够实现对声子的类似控制,这可能会带来新的技术突破。可能的应用包括改进的废能收集、新型冷却技术、用于软材料和信号处理设备的新表征方法。该研究项目的重点是二维纳米结构作为声子超材料的候选者的特性。由纳米颗粒和纳米线构建的周期性晶格具有独特的振动性质,其不同于孤立的纳米颗粒或纳米线及其相应的块体材料。材料的周期性结构导致布拉格散射效应,其可以产生被称为带隙的禁止频率范围。频率在这样的带隙中的波不能通过材料传播。材料中的带隙可用于引导信号通过结构并构建有源通信设备。除此之外,通过改变纳米线和纳米颗粒的尺寸,还可以制备出具有特定的、微调的振动或热性质的二维纳米材料。因此,本研究计划的第一个目标是获得对振动光谱结构和此类组件的热导率以及影响这些特性的因素的基本了解。具体而言,研究了缺陷的影响,例如纳米颗粒和纳米线之间的界面处的晶界。 用于研究模型纳米结构的振动和热性质的主要计算方法是分子动力学模拟。分子动力学模拟使人们有可能研究振动光谱,以及在同一基础上的材料的热导率。除此之外,它们还考虑了纳米颗粒和纳米线的原子结构(包括缺陷)的影响。在加拿大计算机高性能计算机上进行了超过1000万个原子的大规模模拟系统。这些系统将使用硅的模型势以及简化的力模式。分子动力学模拟由有限元计算补充,以更好地了解振动模式的结构,并允许模拟完整的设备,如波导或高超音速二极管。

项目成果

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Meyer, Ralf其他文献

Silanization of siliceous materials, part 3: Modification of surface energy and acid-base properties of silica nanoparticles determined by inverse gas chromatography (IGC)
The new EU regulation on in vitro diagnostics: potential issues at the interface of medicines and companion diagnostics
  • DOI:
    10.2217/bmm-2016-0233
  • 发表时间:
    2016-12-01
  • 期刊:
  • 影响因子:
    2.2
  • 作者:
    Enzmann, Harald;Meyer, Ralf;Broich, Karl
  • 通讯作者:
    Broich, Karl
Early diagnosis and better rhythm management to improve outcomes in patients with atrial fibrillation: the 8th AFNET/EHRA consensus conference.
  • DOI:
    10.1093/europace/euac062
  • 发表时间:
    2023-02-08
  • 期刊:
  • 影响因子:
    6.1
  • 作者:
    Schnabel, Renate B.;Marinelli, Elena Andreassi;Arbelo, Elena;Boriani, Giuseppe;Boveda, Serge;Buckley, Claire M.;Camm, A. John;Casadei, Barbara;Chua, Winnie;Dagres, Nikolaos;de Melis, Mirko;Desteghe, Lien;Diederichsen, Soren Zoga;Duncker, David;Eckardt, Lars;Eisert, Christoph;Engler, Daniel;Fabritz, Larissa;Freedman, Ben;Gillet, Ludovic;Goette, Andreas;Guasch, Eduard;Svendsen, Jesper Hastrup;Hatem, Stephane N.;Haeusler, Karl Georg;Healey, Jeff S.;Heidbuchel, Hein;Hindricks, Gerhard;Hobbs, F. D. Richard;Huebner, Thomas;Kotecha, Dipak;Krekler, Michael;Leclercq, Christophe;Lewalter, Thorsten;Lin, Honghuang;Linz, Dominik;Lip, Gregory Y. H.;Lochen, Maja Lisa;Lucassen, Wim;Malaczynska-Rajpold, Katarzyna;Massberg, Steffen;Merino, Jose L.;Meyer, Ralf;Mont, Lluis;Myers, Michael C.;Neubeck, Lis;Niiranen, Teemu;Oeff, Michael;Oldgren, Jonas;Potpara, Tatjana S.;Psaroudakis, George;Purerfellner, Helmut;Ravens, Ursula;Rienstra, Michiel;Rivard, Lena;Scherr, Daniel;Schotten, Ulrich;Shah, Dipen;Sinner, Moritz F.;Smolnik, Rudiger;Steinbeck, Gerhard;Steven, Daniel;Svennberg, Emma;Thomas, Dierk;Hills, Mellanie True;van Gelder, Isabelle C.;Vardar, Burcu;Pala, Elena;Wakili, Reza;Wegscheider, Karl;Wieloch, Mattias;Willems, Stephan;Witt, Henning;Ziegler, Andre;Zink, Matthias Daniel;Kirchhof, Paulus
  • 通讯作者:
    Kirchhof, Paulus
Measuring structure deformations of a composite glider by optical means with on-ground and in-flight testing
  • DOI:
    10.1088/0957-0233/27/12/124013
  • 发表时间:
    2016-12-01
  • 期刊:
  • 影响因子:
    2.4
  • 作者:
    Bakunowicz, Jerzy;Swiech, Lukasz;Meyer, Ralf
  • 通讯作者:
    Meyer, Ralf
Machine Learning Approaches toward Orbital-free Density Functional Theory: Simultaneous Training on the Kinetic Energy Density Functional and Its Functional Derivative
  • DOI:
    10.1021/acs.jctc.0c00580
  • 发表时间:
    2020-09-08
  • 期刊:
  • 影响因子:
    5.5
  • 作者:
    Meyer, Ralf;Weichselbaum, Manuel;Hauser, Andreas W.
  • 通讯作者:
    Hauser, Andreas W.

Meyer, Ralf的其他文献

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{{ truncateString('Meyer, Ralf', 18)}}的其他基金

Modelling of nanoscale phononic crystals
纳米级声子晶体的建模
  • 批准号:
    RGPIN-2018-06563
  • 财政年份:
    2021
  • 资助金额:
    $ 1.75万
  • 项目类别:
    Discovery Grants Program - Individual
Modelling of nanoscale phononic crystals
纳米级声子晶体的建模
  • 批准号:
    RGPIN-2018-06563
  • 财政年份:
    2020
  • 资助金额:
    $ 1.75万
  • 项目类别:
    Discovery Grants Program - Individual
Modelling of nanoscale phononic crystals
纳米级声子晶体的建模
  • 批准号:
    RGPIN-2018-06563
  • 财政年份:
    2019
  • 资助金额:
    $ 1.75万
  • 项目类别:
    Discovery Grants Program - Individual
Modelling of nanoscale phononic crystals
纳米级声子晶体的建模
  • 批准号:
    RGPIN-2018-06563
  • 财政年份:
    2018
  • 资助金额:
    $ 1.75万
  • 项目类别:
    Discovery Grants Program - Individual
Structure and dynamics of nanoparticles and nanostructured materials
纳米颗粒和纳米结构材料的结构和动力学
  • 批准号:
    371446-2011
  • 财政年份:
    2015
  • 资助金额:
    $ 1.75万
  • 项目类别:
    Discovery Grants Program - Individual
Structure and dynamics of nanoparticles and nanostructured materials
纳米颗粒和纳米结构材料的结构和动力学
  • 批准号:
    371446-2011
  • 财政年份:
    2014
  • 资助金额:
    $ 1.75万
  • 项目类别:
    Discovery Grants Program - Individual
Structure and dynamics of nanoparticles and nanostructured materials
纳米颗粒和纳米结构材料的结构和动力学
  • 批准号:
    371446-2011
  • 财政年份:
    2013
  • 资助金额:
    $ 1.75万
  • 项目类别:
    Discovery Grants Program - Individual
Structure and dynamics of nanoparticles and nanostructured materials
纳米颗粒和纳米结构材料的结构和动力学
  • 批准号:
    371446-2011
  • 财政年份:
    2012
  • 资助金额:
    $ 1.75万
  • 项目类别:
    Discovery Grants Program - Individual
Structure and dynamics of nanoparticles and nanostructured materials
纳米颗粒和纳米结构材料的结构和动力学
  • 批准号:
    371446-2011
  • 财政年份:
    2011
  • 资助金额:
    $ 1.75万
  • 项目类别:
    Discovery Grants Program - Individual

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