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Nanoscience and Nanotechnology

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Purdue University

Thermal conductivity

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Full-Text Articles in Engineering

Spectral Phonon Relaxation Time Calculation Tool Based On Molecular Dynamics, Divya Chalise, Tianli Feng, Xiulin Ruan Aug 2017

Spectral Phonon Relaxation Time Calculation Tool Based On Molecular Dynamics, Divya Chalise, Tianli Feng, Xiulin Ruan

The Summer Undergraduate Research Fellowship (SURF) Symposium

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 material’s thermal conductivity. Although different theoretical models have been developed for studying phonon modes and relaxation time, extensive knowledge of lattice dynamics and molecular dynamics is required to compute phonon modal frequencies and relaxation times. Therefore, a computational tool which can take simple inputs to calculate phonon mode frequencies and relaxation time will be beneficial. Through this research work, such computational tool has …


Carbon Nanotube Thermal Interfaces And Related Applications, Stephen L. Hodson Dec 2016

Carbon Nanotube Thermal Interfaces And Related Applications, Stephen L. Hodson

Open Access Dissertations

The development of thermal interface materials (TIMs) is necessitated by the temperature drop across interfacing materials arising from macro and microscopic irregularities of their surfaces that constricts heat through small contact regions as well as mismatches in their thermal properties. Similar to other types of TIMs, CNT TIMs alleviate the thermal resistance across the interface by thermally bridging two materials together with cylindrical, high-aspect ratio, and nominally vertical conducting elements. Within the community of TIM engineers, the vision driving the development of CNT TIMs was born from measurements that revealed impressively high thermal conductivities of individual CNTs. This vision was …


Nanoscale Phonon Thermal Conductivity Via Molecular Dynamics, Jonathan M. Dunn Apr 2016

Nanoscale Phonon Thermal Conductivity Via Molecular Dynamics, Jonathan M. Dunn

Open Access Theses

Molecular dynamics (MD) simulations provide a useful and simple means of calculating the nanoscale thermal properties of materials, which requires special analysis since the thermal properties of materials change when their dimensions reach the nanoscale. In this research, MD is used to investigate the nanoscale phonon thermal transport of materials that are attracting much interest in the areas of materials science and nuclear physics. In order to evaluate two distinct methods of calculating the thermal conductivity of materials using MD, the simulation methods are first applied to Si. Once an understanding of each simulation method is established, they are then …


Thermal Properties Of Soft Nanomaterials: Materials Synthesis And Fabrication, Meng Pan, Collier Miers, Amy Marconnet, Yu Han Aug 2014

Thermal Properties Of Soft Nanomaterials: Materials Synthesis And Fabrication, Meng Pan, Collier Miers, Amy Marconnet, Yu Han

The Summer Undergraduate Research Fellowship (SURF) Symposium

The properties of soft nanomaterials are hard to measure exactly due to their mechanical properties and unstable shape. In particular, hydrogels are a class of cross-linked polymers that can absorb large quantities of water changing their shape under the influence of various conditions such as humidity, temperature, and pH. This research addresses the fabrication of a material that has a significant contrast in properties under different conditions (e.g. temperature, wetting, and pH) and determine the physical mechanisms of heat transfer in this nanomaterial. The hydrogels are made using a several cycles of a freeze-thaw method. The method requires soluble material. …