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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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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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Low Temperature Enhancement of the Thermoelectric Seebeck Coefficient in Semiconductor Nanoribbons
09 Nov 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
04 Oct 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
17 Aug 2016 | | Contributor(s):: Timothy S Fisher
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E304 L5.2.2: Nanomechanics - Phonons
29 Apr 2016 | | Contributor(s):: Elena Nicolescu Veety, ASSIST ERC
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IMA 2013 UQ: DFT-based Thermal Properties: Three Levels of Error Management
02 Apr 2014 | | Contributor(s):: Kurt Lejaeghere
It is often computationally expensive to predict finite-temperature properties of a crystal from density-functional theory (DFT). The temperature-dependent thermal expansion coefficient α, for example, is calculated from the phonon spectrum, and the melting temperature Tm can only be obtained...
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PHYS 620 Lecture 8: Phonons
12 Apr 2013 | | Contributor(s):: Roberto Merlin
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ECE 656 Lecture 26: Phonon Scattering III
22 Nov 2011 | | Contributor(s):: Mark Lundstrom
Outline:ReviewExamplePOP and IV scatteringScattering in common semiconductorsElectron-electron scatteringSummary
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ECE 656 Lecture 25: Phonon Scattering II
22 Nov 2011 | | Contributor(s):: Mark Lundstrom
Outline:Reviewphononselectron-phonon couplingEnergy-momentum conservationMathematical formulationExampleSummary
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ECE 656 Lecture 24: Phonon Scattering I
09 Nov 2011 | | Contributor(s):: Mark Lundstrom
This lecture should be viewed in the 2009 teaching ECE 656 Lecture 23: Phonon Scattering I
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Lecture 9: Introduction to Phonon Transport
17 Aug 2011 | | Contributor(s):: Mark Lundstrom
This lecture is an introduction to phonon transport. Key similarities and differences between electron and phonon transport are discussed.
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Tutorial 2: Thermal Transport Across Interfaces - Electrons
16 Aug 2011 | | Contributor(s):: Timothy S Fisher
Outline:Thermal boundary resistanceElectronic transportReal interfaces and measurementsCarbon nanotube interfaces
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Tutorial 1: Thermal Transport Across Interfaces - Phonons
15 Aug 2011 | | Contributor(s):: Timothy S Fisher
Outline:Lattice vibrations and phononsThe vibrating stringInterfaces between dissimilar strings: acousticmismatchDiscrete masses and the vibrational eigenspectrumGeneral thermal transport theory
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Tutorial 2: A Bottom-Up View of Heat Transfer in Nanomaterials
23 Mar 2011 | | Contributor(s):: Timothy S Fisher
This lecture provides a theoretical development of the transport of thermal energy by conduction in nanomaterials. The physical nature of energy transport by two carriers—electrons and phonons--will be explored from basic principles using a common Landauer framework. Issues including the quantum...
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Limits of Thermal Processes and their Implications on Efficient Energy Utilization
27 Oct 2010 | | Contributor(s):: Arunava Majumdar
About 90 percent of the world’s energy use involves thermal processes – thermal engines to generate mechanical power; heating and cooling in buildings; heating involved in manufacturing of steel, cement, glass, petrochemicals etc. To identify opportunities for improving current...