scholarly journals Ab-Initio Predictions of the Energy Harvesting Performance of L-Arginine and L-Valine Single Crystals

2021 ◽  
Vol 7 ◽  
Author(s):  
Sarah Guerin
Keyword(s):  
Amino Acid ◽  
Energy Harvesting ◽  
Young’S Modulus ◽  
High Performance ◽  
Density Functional ◽  
Young's Modulus ◽  
Piezoelectric Materials ◽  
High Sensitivity ◽  
Energy Harvesters ◽  
Piezoelectric Voltage

Biological piezoelectric materials are beginning to gain attention for their huge potential as eco-friendly energy harvesting materials. In particular, simple amino acid and peptide crystal assemblies are demonstrating large voltage outputs under applied force, and high sensitivity when detecting vibrations. Here we utilise Density Functional Theory (DFT) calculations to quantitatively predict the energy harvesting properties of two understudied proteinogenic amino acid crystals: L-Arginine and L-Valine. The work highlights the ability of quantum mechanical calculations to screen crystals as high-performance energy harvesters, and demonstrates the capability of small biological crystals as eco-friendly piezoelectric materials. L-Arginine is predicted to have a maximum piezoelectric voltage constant of gij = 274 mV m/N, with a Young’s Modulus of E = 17.1 GPa. L-Valine has a maximum predicted piezoelectric voltage constant of gij = 62 mV m/N, with a calculated Young’s Modulus of E = 19.8 GPa.

scholarly journals Mechanically robust amino acid crystals as fiber-optic transducers and wide bandpass filters for optical communication in the near-infrared

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Durga Prasad Karothu ◽  
Ghada Dushaq ◽  
Ejaz Ahmed ◽  
Luca Catalano ◽  
Srujana Polavaram ◽  
...  
Keyword(s):  
Amino Acid ◽  
Young’S Modulus ◽  
Density Functional ◽  
Near Infrared ◽  
Fiber Optic ◽  
Young's Modulus ◽  
Optical Loss ◽  
Density Functional Theory Calculations ◽  
Infrared Light ◽  
Organic Crystals

AbstractOrganic crystals are emerging as mechanically compliant, light-weight and chemically versatile alternatives to the commonly used silica and polymer waveguides. However, the previously reported organic crystals were shown to be able to transmit visible light, whereas actual implementation in telecommunication devices requires transparency in the near-infrared spectral range. Here we demonstrate that single crystals of the amino acid L-threonine could be used as optical waveguides and filters with high mechanical and thermal robustness for transduction of signals in the telecommunications range. On their (00$$\bar 1$$ 1 ¯ ) face, crystals of this material have an extraordinarily high Young’s modulus (40.95 ± 1.03 GPa) and hardness (1.98 ± 0.11 GPa) for an organic crystal. First-principles density functional theory calculations, used in conjunction with analysis of the energy frameworks to correlate the structure with the anisotropy in the Young’s modulus, showed that the high stiffness arises as a consequence of the strong charge-assisted hydrogen bonds between the zwitterions. The crystals have low optical loss in the O, E, S and C bands of the spectrum (1250−1600 nm), while they effectively block infrared light below 1200 nm. This property favors these and possibly other related organic crystals as all-organic fiber-optic waveguides and filters for transduction of information.

scholarly journals Particle Size Effect of Lanthanum-Modified Bismuth Titanate Ceramics on Ferroelectric Effect for Energy Harvesting

2021 ◽  
Vol 16 (1) ◽  
Author(s):  
Sangmo Kim ◽  
Thi My Huyen Nguyen ◽  
Rui He ◽  
Chung Wung Bark
Keyword(s):  
Particle Size ◽  
Energy Harvesting ◽  
High Speed ◽  
High Performance ◽  
Bismuth Titanate ◽  
Vinylidene Fluoride ◽  
Piezoelectric Materials ◽  
Renewable Energy Sources ◽  
Particle Size Effect ◽  
Ferroelectric Materials

AbstractPiezoelectric nanogenerators (PNGs) have been studied as renewable energy sources. PNGs consisting of organic piezoelectric materials such as poly(vinylidene fluoride) (PVDF) containing oxide complex powder have attracted much attention for their stretchable and high-performance energy conversion. In this study, we prepared a PNG combined with PVDF and lanthanum-modified bismuth titanate (Bi4−XLaXTi3O12, BLT) ceramics as representative ferroelectric materials. The inserted BLT powder was treated by high-speed ball milling and its particle size reduced to the nanoscale. We also investigated the effect of particle size on the energy-harvesting performance of PNG without polling. As a result, nano-sized powder has a much larger surface area than micro-sized powder and is uniformly distributed inside the PNG. Moreover, nano-sized powder-mixed PNG generated higher power energy (> 4 times) than the PNG inserted micro-sized powder.

scholarly journals Mechanical Properties and Environmental Evaluation of Ultra-High-Performance Concrete with Aeolian Sand

Materials ◽  
2020 ◽  
Vol 13 (14) ◽  
pp. 3148 ◽  
Author(s):  
Hongyan Chu ◽  
Fengjuan Wang ◽  
Liguo Wang ◽  
Taotao Feng ◽  
Danqian Wang
Keyword(s):  
Compressive Strength ◽  
Environmental Impact ◽  
Young’S Modulus ◽  
High Performance ◽  
High Performance Concrete ◽  
Young's Modulus ◽  
Ultra High Performance Concrete ◽  
Aeolian Sand ◽  
Binder Ratio ◽  
Water Binder Ratio

Ultra-high-performance concrete (UHPC) has received increasing attention in recent years due to its remarkable ductility, durability, and mechanical properties. However, the manufacture of UHPC can cause serious environmental issues. This work addresses the feasibility of using aeolian sand to produce UHPC, and the mix design, environmental impact, and mechanical characterization of UHPC are investigated. We designed the mix proportions of the UHPC according to the modified Andreasen and Andersen particle packing model. We studied the workability, microstructure, porosity, mechanical performance, and environmental impact of UHPC with three different water/binder ratios. The following findings were noted: (1) the compressive strength, flexural strength, and Young’s modulus of the designed UHPC samples were in the ranges of 163.9–207.0 MPa, 18.0–32.2 MPa, and 49.3–58.9 GPa, respectively; (2) the compressive strength, flexural strength, and Young’s modulus of the UHPC increased with a decrease in water/binder ratio and an increase in the steel fibre content; (3) the compressive strength–Young’s modulus correlation of the UHPC could be described by an exponential formula; (4) the environmental impact of UHPC can be improved by decreasing its water/binder ratio. These findings suggest that it is possible to use aeolian sand to manufacture UHPC, and this study promotes the application of aeolian sand for this purpose.

scholarly journals Electronic, Mechanical and Elastic Anisotropy Properties of X-Diamondyne (X = Si, Ge)

Materials ◽  
2019 ◽  
Vol 12 (21) ◽  
pp. 3589 ◽  
Author(s):  
Qingyang Fan ◽  
Zhongxing Duan ◽  
Yanxing Song ◽  
Wei Zhang ◽  
Qidong Zhang ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Shear Modulus ◽  
Young’S Modulus ◽  
Density Functional ◽  
Elastic Anisotropy ◽  
Young's Modulus ◽  
Wide Band ◽  
Band Gaps ◽  
Mechanical Anisotropy ◽  
Semiconductor Materials

The three-dimensional (3D) diamond-like semiconductor materials Si-diamondyne and Ge-diamondyne (also called SiC4 and GeC4) are studied utilizing density functional theory in this work, where the structural, elastic, electronic and mechanical anisotropy properties along with the minimum thermal conductivity are considered. SiC4 and GeC4 are semiconductor materials with direct band gaps and wide band gaps of 5.02 and 5.60 eV, respectively. The Debye temperatures of diamondyne, Si- and Ge-diamondyne are 422, 385 and 242 K, respectively, utilizing the empirical formula of the elastic modulus. Among these, Si-diamondyne has the largest mechanical anisotropy in the shear modulus and Young’s modulus, and Diamond has the smallest mechanical anisotropy in the Young’s modulus and shear modulus. The mechanical anisotropy in the Young’s modulus and shear modulus of Si-diamondyne is more than three times that of diamond as determined by the characterization of the ratio of the maximum value to the minimum value. The minimum thermal conductivity values of Si- and Ge-diamondyne are 0.727 and 0.524 W cm−1 K−1, respectively, and thus, Si- and Ge-diamondyne may be used in the thermoelectric industry.

Single-walled carbon nanotubes functionalized by a series of dichlorocarbenes: DFT study

2016 ◽  
Vol 30 (08) ◽  
pp. 1650118 ◽  
Author(s):  
Igor K. Petrushenko ◽  
Konstantin B. Petrushenko
Keyword(s):  
Carbon Nanotubes ◽  
Young’S Modulus ◽  
Elastic Properties ◽  
Density Functional ◽  
Young's Modulus ◽  
Strong Dependence ◽  
Single Walled Carbon Nanotubes ◽  
Binding Energies ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

The structural and elastic properties of neutral and ionized dichlorocarbene (CCl2) functionalized single-walled carbon nanotubes (SWCNTs) were studied using density functional theory (DFT). The Young’s modulus of ionized pristine SWCNTs is found to decrease in comparison to that of neutral models. The interesting effect of increase in Young’s modulus values of ionized functionalized SWCNTs is observed. We ascribe this feature to the concurrent processes of the bond elongation on ionization and the local deformation on cycloaddition. The strong dependence of the elasticity modulus on the number of addends is also observed. However, the CCl2-attached SWCNTs in their neutral and ionized forms remain strong enough to be suitable for the reinforcement of composites. In contrast to the elastic properties, the binding energies do not change significantly, irrespective of CCl2 coverage.

The Effect of Nitrogen Doping on the Elastic Properties of Silicene

2015 ◽  
Vol 245 ◽  
pp. 14-18
Author(s):  
Mary A. Chibisova ◽  
Andrey N. Chibisov
Keyword(s):  
Density Functional Theory ◽  
Bulk Modulus ◽  
Young’S Modulus ◽  
Elastic Properties ◽  
Density Functional ◽  
Nitrogen Doping ◽  
Young's Modulus ◽  
Functional Theory ◽  
Nitrogen Doped

This paper deals with the elastic properties of pure and nitrogen-doped silicene using density functional theory. During the compression (tension) from –2 to 2 GPa of pure and nitrogen-doped silicene, the corresponding values for the bulk modulus are obtained. It is found that the doping of the silicene structure with nitrogen has practically no effect on the value of its bulk modulus. However, the Young's modulus is increased of about 1.25 times.

Mechanical behavior of individual WS2 nanotubes

2004 ◽  
Vol 19 (2) ◽  
pp. 454-459 ◽  
Author(s):  
I. Kaplan-Ashiri ◽  
S.R. Cohen ◽  
K. Gartsman ◽  
R. Rosentsveig ◽  
G. Seifert ◽  
...  
Keyword(s):  
Mechanical Behavior ◽  
Young’S Modulus ◽  
Density Functional ◽  
Young's Modulus ◽  
Bulk Material ◽  
Tight Binding ◽  
Atomic Force ◽  
Silicon Cantilever ◽  
Microscope Imaging ◽  
Single Wall Nanotubes

The Young's modulus of WS2 nanotubes is an important property for various applications. Measurements of the mechanical properties of individual nanotubes are challenged by their small size. In the current work, atomic force microscopy was used to determine the Young's modulus of an individual multiwall WS2 nanotube, which was mounted on a silicon cantilever. The buckling force was measured by pushing the nanotube against a mica surface. The average Young's modulus of an individual WS2 nanotube, which was calculated by using Euler's equation, was found to be 171 GPa. First-principle calculations of the Young's modulus of MoS2 single-wall nanotubes using density-functional–based tight-binding method resulted in a value (230 GPa) that is close to that of the bulk material. Furthermore, the diameter dependence of the Young's modulus in both zigzag and armchair configuration was studied and was found to approach the bulk value for nanotubes with few-nanometer diameters. Similar behavior is expected for WS2 nanotubes. The mechanical behavior of the WS2 nanotubes as atomic force microscope imaging tips gave further support for the measured Young's modulus.

scholarly journals Recent Reports of Magneto-Mechano-Electric Conversion Composites

Ceramist ◽  
2021 ◽  
Vol 24 (3) ◽  
pp. 248-259
Author(s):  
Geon-Tae Hwang ◽  
Jungho Ryu ◽  
Woon-Ha Yoon
Keyword(s):  
Energy Harvesting ◽  
Material Properties ◽  
High Performance ◽  
Piezoelectric Materials ◽  
Research Progress ◽  
Application System ◽  
Magnetic Sensing ◽  
Research Teams ◽  
Device Structures ◽  
Magnetic And Electric Properties

Magneto-mechano-electric (MME) conversion composites composed of distinctive magnetostrictive and piezoelectric materials derive interfacial coupling of magnetoelectric conversion between magnetic and electric properties, thus enabling energy harvesting and magnetic sensing. To demonstrate high-performance MME composites and their applications, various research teams have studied tailoring device structures, enhancing material properties, and developing MME application system. This article reviews the recent research progress of MME composites for energy harvesting and magnetic sensing.

scholarly journals Coconut Fiber Strengthen High Performance Concrete: Young’s Modulus, Ultrasonic Pulse Velocity and Ductility Properties

2018 ◽  
Vol 7 (2.23) ◽  
pp. 284 ◽  
Author(s):  
M A. Othuman Mydin ◽  
N Mohd Zamzani
Keyword(s):  
Young’S Modulus ◽  
High Performance ◽  
High Performance Concrete ◽  
Young's Modulus ◽  
Ultrasonic Pulse Velocity ◽  
Ultrasonic Pulse ◽  
Pulse Velocity ◽  
Engineering Properties ◽  
Axial Compressive Strength ◽  
Coconut Fibre

This paper emphasis on experimental investigation to govern the engineering properties such as young’s modulus, pundit ultrasonic pulse velocity (UPV) and ductility of High Performance Concrete (HPC) with grade M60 with addition of coconut fibre (CNF) together with silica fume (SF) and pulverised fuel ash (PFA). For this study, 3 mixes were prepared. First was the CNFRC without any additives, secondly the CNFRC made by 10% replacement of cement weight with PFA and thirdly composition of 10% of cement weight was exchanged with SF. It should be pointed out that for each mix; CNF was included in the mixture (0.5% of the mix volume). The investigational results had shown that the Young’s modulus of CNFRC, CNFR SFC and CNFR PFAC enhanced by about 6%, 3%, and 12% correspondingly. In terms of ductility, when control HPC specimens were subjected to axial compressive strength, slight preliminary cracks shaped on the surface of specimens. Among all HPC specimens tested, CNFR PFAC attained the utmost UPV at 28 day.    

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