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Article
Open AccessGeneral deep learning framework for emissivity engineering
Wavelength-selective thermal emitters (WS-TEs) have been frequently designed to achieve desired target emissivity spectra, as a typical emissivity engineering, for broad applications such as thermal camouflage...
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Article
Open AccessUltrahigh-efficient material informatics inverse design of thermal metamaterials for visible-infrared-compatible camouflage
Multispectral camouflage technologies, especially in the most frequently-used visible and infrared (VIS-IR) bands, are in increasing demand for the ever-growing multispectral detection technologies. Neverthele...
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Article
Open AccessRadonPy: automated physical property calculation using all-atom classical molecular dynamics simulations for polymer informatics
The spread of data-driven materials research has increased the need for systematically designed materials property databases. However, the development of polymer databases has lagged far behind other material ...
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Article
Open AccessRobust combined modeling of crystalline and amorphous silicon grain boundary conductance by machine learning
Knowledge in thermal and electric transport through grain boundary (GB) is crucial for designing nanostructured thermoelectric materials, where the transport greatly depends on GB atomistic structure. In this ...
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Article
Open AccessHeat diffusion-related dam** process in a highly precise coarse-grained model for nonlinear motion of SWCNT
Second sound and heat diffusion in single-walled carbon nanotubes (SWCNT) are well-known phenomena which is related to the high thermal conductivity of this material. In this paper, we have shown that the heat...
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Thermal Nanostructure Design by Materials Informatics
Tuning thermal transport by nanostructures has garnered increasing attentions as thermal materials with either high or low thermal conductivities are of great use in a wide range of applications like thermal m...
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Article
Open AccessMachine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm
The use of machine learning in computational molecular design has great potential to accelerate the discovery of innovative materials. However, its practical benefits still remain unproven in real-world applic...
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Article
Open AccessMonte Carlo tree search for materials design and discovery
Materials design and discovery can be represented as selecting the optimal structure from a space of candidates that optimizes a target property. Since the number of candidates can be exponentially proportiona...
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Article
Open AccessRevealing How Topography of Surface Microstructures Alters Capillary Spreading
Wetting phenomena, i.e. the spreading of a liquid over a dry solid surface, are important for understanding how plants and insects imbibe water and moisture and for miniaturization in chemistry and biotechnolo...
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Article
Open AccessThermal conductivity reduction in silicon fishbone nanowires
Semiconductor nanowires are potential building blocks for future thermoelectrics because of their low thermal conductivity. Recent theoretical works suggest that thermal conductivity of nanowires can be furthe...
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Article
Modulation of thermal and thermoelectric transport in individual carbon nanotubes by fullerene encapsulation
Encapsulation of single- and double-wall carbon nanotubes in carbon nanocages, which may contain gadolinium or erbium, leads to a reduction of the thermal conductivity and an improved Seebeck coefficient.
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Article
Open AccessEarly Onset of Nucleate Boiling on Gas-covered Biphilic Surfaces
For phase-change cooling schemes for electronics, quick activation of nucleate boiling helps safeguard the electronics components from thermal shocks associated with undesired surface superheating at boiling i...
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Article
Open AccessSurface structure determines dynamic wetting
Liquid wetting of a surface is omnipresent in nature and the advance of micro-fabrication and assembly techniques in recent years offers increasing ability to control this phenomenon. Here, we identify how sur...
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Article
Tunable separation of single-walled carbon nanotubes by dual-surfactant density gradient ultracentrifugation
We present a systematic study of the effects of surfactants in the separation of single-walled carbon nanotubes (SWNTs) by density gradient ultracentrifugation (DGU). Through analysis of the buoyant densities,...
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Article
Facile fabrication of all-SWNT field-effect transistors
Field-effect transistors (FETs) have been fabricated using as-grown single-walled carbon nanotubes (SWNTs) for the channel as well as both source and drain electrodes. The underlying Si substrate was employed ...
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Article
Diffusive-Ballistic Heat Conduction of Carbon Nanotubes and Nanographene Ribbons
Investigations of diffusive-ballistic heat conduction of finite-length single- walled carbon nanotubes and nanographene ribbons at room temperature have been carried out by using non-equilibrium molecular dyna...
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Article
Molecular Dynamics Simulations of Diffusive-Ballistic Heat Conduction in Carbon Nanotubes
Heat conduction of finite-length single-walled carbon nanotubes (SWNTs) has been studied by means of non-equilibrium molecular dynamics (MD) simulations. The length-dependence of the thermal conductivity was q...
