Quantum Conductance of Copper–Carbon Nanotube Composites

2018 ◽  
Vol 140 (3) ◽  
Author(s):  
Yangchuan Li ◽  
Eric Fahrenthold
Keyword(s):  
Carbon Nanotube ◽  
Large Scale ◽  
Computational Cost ◽  
Specific Conductance ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Nanotube Composites ◽  
Simplifying Assumptions ◽  
Analytical Research ◽  
Quantum Modeling

Carbon nanotube (CNT)-based conductors are the focus of considerable ongoing experimental research, which has demonstrated their potential to offer increased current carrying capacity or higher specific conductance, as compared to conventional copper cabling. Complementary analytical research has been hindered by the high computational cost of large-scale quantum models. The introduction of certain simplifying assumptions, supported by critical comparisons to exact solutions and the published literature, allows for quantum modeling work to assist experiment in composite conductor development. Ballistic conductance calculations may be used to identify structure–property relationships and suggest the most productive avenues for future nanocomposite conductor research.

Investigation of Structure-Property Relationships in Thermoplastic Polyurethane/Multiwalled Carbon Nanotube Composites

2017 ◽  
Author(s):  
Felicia Stan ◽  
Catalin Fetecau ◽  
Nicoleta V. Stanciu ◽  
Razvan T. Rosculet ◽  
Laurentiu I. Sandu
Keyword(s):  
Electrical Properties ◽  
Shear Viscosity ◽  
Thermoplastic Polyurethane ◽  
Structure Property ◽  
Multiwalled Carbon ◽  
Structure Property Relationships ◽  
Mechanical And Electrical Properties ◽  
High Shear Rates ◽  
Nanotube Composites ◽  
Multi Walled Carbon Nanotubes

In this study, the structure-property relationships in thermoplastic polyurethane (TPU) filled with multi-walled carbon nanotubes (MWCNTs) were investigated. Firstly, the contribution of MWCNTs to the melt shear viscosity and the pressure-volume-temperature (pVT) behavior was investigated. Secondly, injection-molded samples and 2 mm diameter filaments of TPU/MWCNT composites were fabricated and their mechanical and electrical properties analyzed. It was found that the melt processability of TPU/MWCNT composites is not affected by the addition of a small amount (1–5 wt.%) of MWCNTs, all composites displaying shear-thinning at high shear rates. The mechanical and electrical properties of the TPU/MWCNT composites were substantially enhanced with the addition of MWCNTs. However, the conductivity values of composites processed by injection molding were two and three orders of magnitude lower than those of composites processed by extrusion, highlighting the role of melt shear viscosity on the dispersion and agglomeration of nanotubes.

Efficiently mapping structure–property relationships of gas adsorption in porous materials: application to Xe adsorption

2017 ◽  
Vol 201 ◽  
pp. 221-232 ◽  
Author(s):  
A. R. Kaija ◽  
C. E. Wilmer
Keyword(s):  
Porous Materials ◽  
Void Fraction ◽  
Large Scale ◽  
Gas Adsorption ◽  
Structural Characteristics ◽  
Gas Storage ◽  
Computational Method ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Computational Screening

Designing better porous materials for gas storage or separations applications frequently leverages known structure–property relationships. Reliable structure–property relationships, however, only reveal themselves when adsorption data on many porous materials are aggregated and compared. Gathering enough data experimentally is prohibitively time consuming, and even approaches based on large-scale computer simulations face challenges. Brute force computational screening approaches that do not efficiently sample the space of porous materials may be ineffective when the number of possible materials is too large. Here we describe a general and efficient computational method for mapping structure–property spaces of porous materials that can be useful for adsorption related applications. We describe an algorithm that generates random porous “pseudomaterials”, for which we calculate structural characteristics (e.g., surface area, pore size and void fraction) and also gas adsorption properties via molecular simulations. Here we chose to focus on void fraction and Xe adsorption at 1 bar, 5 bar, and 10 bar. The algorithm then identifies pseudomaterials with rare combinations of void fraction and Xe adsorption and mutates them to generate new pseudomaterials, thereby selectively adding data only to those parts of the structure–property map that are the least explored. Use of this method can help guide the design of new porous materials for gas storage and separations applications in the future.

Characterization and structure–property relationship of melt-mixed high density polyethylene/multi-walled carbon nanotube composites under extensional deformation

RSC Advances ◽  
2015 ◽  
Vol 5 (59) ◽  
pp. 47555-47568 ◽  
Author(s):  
Dong Xiang ◽  
Eileen Harkin-Jones ◽  
David Linton
Keyword(s):  
Carbon Nanotube ◽  
Strain Rate ◽  
High Density Polyethylene ◽  
Structure Property ◽  
Extensional Deformation ◽  
Multi Walled Carbon Nanotube ◽  
Structure Property Relationship ◽  
Nanotube Composites ◽  
Carbon Nanotube Composites ◽  
Relationship Of

Disentanglement degree of nanotube agglomerates depends on the stretching mode, strain rate and stretching temperatures under extensional deformation.

scholarly journals GaAs Nanowires Grown by Catalyst Epitaxy for High Performance Photovoltaics

Crystals ◽  
2018 ◽  
Vol 8 (9) ◽  
pp. 347 ◽  
Author(s):  
Ying Wang ◽  
Xinyuan Zhou ◽  
Zaixing Yang ◽  
Fengyun Wang ◽  
Ning Han ◽  
...  
Keyword(s):  
Light Absorption ◽  
High Performance ◽  
Large Scale ◽  
Low Cost ◽  
Absorption Efficiency ◽  
Device Fabrication ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Solar Energy Harvesting ◽  
Gaas Nanowire

Photovoltaics (PVs) based on nanostructured III/V semiconductors can potentially reduce the material usage and increase the light-to-electricity conversion efficiency, which are anticipated to make a significant impact on the next-generation solar cells. In particular, GaAs nanowire (NW) is one of the most promising III/V nanomaterials for PVs due to its ideal bandgap and excellent light absorption efficiency. In order to achieve large-scale practical PV applications, further controllability in the NW growth and device fabrication is still needed for the efficiency improvement. This article reviews the recent development in GaAs NW-based PVs with an emphasis on cost-effectively synthesis of GaAs NWs, device design and corresponding performance measurement. We first discuss the available manipulated growth methods of GaAs NWs, such as the catalytic vapor-liquid-solid (VLS) and vapor-solid-solid (VSS) epitaxial growth, followed by the catalyst-controlled engineering process, and typical crystal structure and orientation of resulted NWs. The structure-property relationships are also discussed for achieving the optimal PV performance. At the same time, important device issues are as well summarized, including the light absorption, tunnel junctions and contact configuration. Towards the end, we survey the reported performance data and make some remarks on the challenges for current nanostructured PVs. These results not only lay the ground to considerably achieve the higher efficiencies in GaAs NW-based PVs but also open up great opportunities for the future low-cost smart solar energy harvesting devices.

Atomistic modelling insight into the structure of lignite-based activated carbon and benzene sorption behavior

RSC Advances ◽  
2016 ◽  
Vol 6 (61) ◽  
pp. 56623-56637 ◽  
Author(s):  
Yang Huang ◽  
Fred S. Cannon ◽  
Jinsong Guo ◽  
Justin K. Watson ◽  
Jonathan P. Mathews
Keyword(s):  
Activated Carbon ◽  
Large Scale ◽  
Structural Models ◽  
Sorption Behavior ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Atomistic Modelling ◽  
Insight Into

Improved structure–property relationships for activated carbon were obtained by devising realistic, large-scale, structural models.

Key Factors Limiting Carbon Nanotube Yarn Strength: Exploring Processing-Structure-Property Relationships

ACS Nano ◽  
2014 ◽  
Vol 8 (11) ◽  
pp. 11454-11466 ◽  
Author(s):  
Allison M. Beese ◽  
Xiaoding Wei ◽  
Sourangsu Sarkar ◽  
Rajaprakash Ramachandramoorthy ◽  
Michael R. Roenbeck ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Structure Property ◽  
Key Factors ◽  
Yarn Strength ◽  
Structure Property Relationships

scholarly journals Towards large scale aligned carbon nanotube composites: an industrial safe-by-design and sustainable approach

2013 ◽  
Vol 429 ◽  
pp. 012050 ◽  
Author(s):  
P Boulanger ◽  
L Belkadi ◽  
J Descarpentries ◽  
D Porterat ◽  
E Hibert ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Large Scale ◽  
Nanotube Composites ◽  
Carbon Nanotube Composites ◽  
Safe By Design
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