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Teaching and Learning with the MIT Atomic Scale Modeling Toolkit's Classical and Quantum Atomic Modeling Applications
23 Dec 2022 | | Contributor(s):: Enrique Guerrero
We will perform molecular dynamics computations using LAMMPS, simple Monte Carlo simulations including the Ising model, and run quantum chemistry and density functional theory computations.
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A Condensed Matter Physics class and a Course-Based Undergraduate Research Experience (CURE) with the MIT Atomic-Scale Modeling Toolkit
07 Nov 2022 | | Contributor(s):: David Strubbe
In this presentation, Dr. Strubbe will discuss how he has been using the MIT Atomic-Scale Modeling Toolkit as a part of his undergraduate and graduate class on condensed matter physics. In discussion sections, simulations are performed to illustrate concepts like covalent bonding,...
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Hydrodynamic Phenomena in Thermal Transport
01 Sep 2022 | | Contributor(s):: F. Xavier Alvarez
The talk will cover some of the most recent evidences in the theoretical and experimental research on thermal transport and we will analyze them in the framework of the Kinetic/Collective model (KCM), developed to give a more generalized framework to describe thermal experiments.
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Thermal Energy at the Nanoscale
31 Jan 2022 | | Contributor(s):: Timothy S Fisher
These lecture notes provide a detailed treatment of the thermal energy storage and transport by conduction in natural and fabricated structures.
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Fusing Light With Heat: Polaritons for Nanoscale Thermal Transport & Sensing
07 Oct 2021 | | Contributor(s):: Thomas Beechem
Light exhibits a wave nature. Phonons do too. Within the infrared portion of the spectrum, these differing “waves” can interact to form hybrid energy carriers called polaritons. Polaritons, in turn, provide fundamental advantages for optical functionality and...
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Research in Xu’s Group
07 Aug 2019 | | Contributor(s):: Xianfan Xu
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Bandstructure Effects in Nano Devices With NEMO: from Basic Physics to Real Devices and to Global Impact on nanoHUB.org
08 Mar 2019 | | Contributor(s):: Gerhard Klimeck
This presentation will intuitively describe how bandstructure is modified at the nanometer scale and what some of the consequences are on the device performance.
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Frequency change Vs Temperature in THz region
Q&A|Closed | Responses: 0
Dear all,
Wondering what does change in the frequency with respect to temperature of phonon modes in THz region of Raman spectra indicate ?. Does it indicate concerted movement of...
https://nanohub.org/answers/question/1986
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Spectral analysis of non-equilibrium molecular dynamics
28 Jun 2017 | | Contributor(s):: Tianli Feng, Yang Zhong, Divya Chalise, Xiulin Ruan
Extract the phonon modal temperature and heat flux from non-equilibrium molecular dynamics
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Spectral Phonon Relaxation Time Calculation Tool Based on Molecular Dynamics
27 Jul 2017 | | Contributor(s):: Divya Chalise, Tianli Feng, Xiulin Ruan
Thermal conductivity is an important material property which affects the performance of a wide range of devices from thermoelectrics to nanoelectronics. Information about phonon vibration modes and phonon relaxation time gives significant insight into understanding and engineering...
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Fundamentals of Phonon Transport Modeling L1: Introduction
03 Jan 2017 | | Contributor(s):: Alan McGaughey, Xiulin Ruan
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Fundamentals of Phonon Transport Modeling L2: MD Simulation, Green Kubo, Direct Method
03 Jan 2017 | | Contributor(s):: Xiulin Ruan, Alan McGaughey
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Fundamentals of Phonon Transport Modeling L3: Harmonic Lattice Dynamics, Spectral Methods
03 Jan 2017 | | Contributor(s):: Xiulin Ruan, Alan McGaughey
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Fundamentals of Phonon Transport Modeling L4: Anharmonic Lattice dynamics, First Principles
03 Jan 2017 | | Contributor(s):: Alan McGaughey, Xiulin Ruan
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Fundamentals of Phonon Transport Modeling L5: Phonon-Boundary and Phonon-Defect Scattering
03 Jan 2017 | | Contributor(s):: Alan McGaughey, Xiulin Ruan
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Fundamentals of Phonon Transport Modeling L6: Phonon-Electron Coupling and Non-equilibrium
03 Jan 2017 | | Contributor(s):: Xiulin Ruan, Alan McGaughey
Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.
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Low Temperature Enhancement of the Thermoelectric Seebeck Coefficient in Semiconductor Nanoribbons
21 Oct 2016 | | Contributor(s):: Kommini Adithya, Zlatan Aksamija
IWCE 2015 Presentation. We propose a novel approach to achieving a narrow window-shaped TDF through a combination of a step-like 2-dimensional density-of-states (DOS) and inelastic optical phonon scattering. A shift in the onset of scattering with respect to the step-like DOS creates a TDF which...
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Heat Under the Microscope: Uncovering the Microscopic Processes that Govern Thermal Transport
11 Jul 2016 | | Contributor(s):: Austin Minnich
In this talk, I will describe our efforts to uncover the microscopic processes that govern thermal transport by phonons. In particular, I will describe how our advances in computation and experiment have enabled the first direct measurements of thermal phonon transmission coefficients at solid...
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Practice Your Scales! Thermal and Energy Nanomaterials for Fast Processes
06 Aug 2016 | | Contributor(s):: Timothy S Fisher
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E304 L5.2.2: Nanomechanics - Phonons
29 Mar 2016 | | Contributor(s):: Elena Nicolescu Veety, ASSIST ERC