Elastic modulus and thermal conductivity of ultradrawn polyethylene

The axial and transverse Young's modulus and thermal conductivity of gel and single crystal mat polyethylene with draw ratios λ = 1–350 have been measured from 160 to 360 K. The axial Young's modulus increases sharply with increasing λ, whereas the transverse modulus shows a slight decrease. The thermal conductivity exhibits a similar behavior. At λ = 350, the axial Young's modulus and thermal conductivity are, respectively, 20% and three times higher than those of steel. For this ultradrawn material both the magnitude and the temperature dependence of the axial Young's modulus are close to those of polyethylene crystal. The high values of the axial Young's modulus and thermal conductivity arise from the presence of a large percentage (∼85%) of long needle crystals. © 1999 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 37: 3359–3367, 1999     

Hardness and Young's modulus of transcrystalline polypropylene by Vickers and Knoop microindentation

A study of the anisotropic microhardness and Young's modulus of transcrystalline isotactic polypropylene grown from the surface of high modulus carbon fibers is described. Static microindentation experiments were performed with Knoop and Vickers tips. The Young's moduli of the transcrystalline region were estimated from Knoop microindentation data by using a method recently developed in our laboratory. Data for the different lamellar directions were generated using the Knoop tip, which is sensitive to material anisotropy. We found that the hardness and Young's modulus of the transcrystalline layer are higher by up to 30% when the longer diagonal of the probing Knoop tip is perpendicular to the transcrystalline growth direction, compared to when the diagonal is parallel to that direction. © 1999 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 37: 523–530, 1999     

Hard amorphous (diamond-like) carbons

The hard forms of amorphous carbon and hydrogenated amorphous carbon, also known as diamond-like carbon, have recently aroused considerable interest as coating materials. This paper reviews their preparation, structure and properties. These carbons contain both sp² and sp³ sites. A chemical bonding model is developed which describes the arrangement of these sites and which accounts for many of the electronic and mechanical properties. The review covers the various deposition methods and the deposition mechanisms, the characterisation of amorphous carbons by techniques such as diffraction, electron energy loss, Raman, infra-red, nuclear magnetic resonance, and thermal stability, their electronic structure, optical properties and electronic spectra, and their mechanical properties such as elastic modulus, hardness, wear rate, friction and film adhesion. The dependence of electronic and mechanical properties on deposition methods and conditions is studied, to assess which methods are most valuable for applications.     

Carbon nanocones/discs – a new type of filler to improve the thermal and mechanical properties of polymer films

The mechanical characteristics and thermal properties of composite films based on the thermally stable aromatic polyimide (PI) (PMDA‐ODA) and carbon nanocones/discs (CNC) were studied. The introduction of CNC to PMDA‐ODA leads to the substantial increase of film stiffness. The Young's modulus values of the composite films are somewhat higher than those of the previously characterized composite films of this PI filled with nanoclay, carbon nanofibers, and asbestos‐like hydrosilicate nanotubes. The introduction of CNC into PMDA‐ODA (concentrations of CNC were up to 15 vol%) does not cause any marked aggregation of nanoparticles. The presence of CNC in the PI matrix does not affect the glass transition temperature of the polymer but hinders chain mobility at temperatures above T_g. This behavior makes it possible to increase the working temperature range of the composite films containing more than 5 vol% of CNCs, up to the temperature of thermal decomposition. The introduction of CNC into PMDA‐ODA leads to dramatic (～12 orders of magnitude) increase of active electrical conductivity of the material. Copyright © 2011 John Wiley & Sons, Ltd.     

Multi-step surface functionalization of polyimide based evanescent wave photonic biosensors and application for DNA hybridization by Mach-Zehnder interferometer

The process of surface functionalization involving silanization, biotinylation and streptavidin bonding as platform for biospecific ligand immobilization was optimized for thin film polyimide spin-coated silicon wafers, of which the polyimide film serves as a wave guiding layer in evanescent wave photonic biosensors. This type of optical sensors make great demands on the materials involved as well as on the layer properties, such as the optical quality, the layer thickness and the surface roughness. In this work we realized the binding of a 3-mercaptopropyl trimethoxysilane on an oxygen plasma activated polyimide surface followed by subsequent derivatization of the reactive thiol groups with maleimide-PEG₂-biotin and immobilization of streptavidin. The progress of the functionalization was monitored by using different fluorescence labels for optimization of the chemical derivatization steps. Further, X-ray photoelectron spectroscopy and atomic force microscopy were utilized for the characterization of the modified surface. These established analytical methods allowed to derive information like chemical composition of the surface, surface coverage with immobilized streptavidin, as well as parameters of the surface roughness. The proposed functionalization protocol furnished a surface density of 144 fmol mm⁻² streptavidin with good reproducibility (13.9% RSD, n = 10) and without inflicted damage to the surface. This surface modification was applied to polyimide based Mach-Zehnder interferometer sensors to realize a real-time measurement of streptavidin binding validating the functionality of the MZI biosensor. Subsequently, this streptavidin surface was employed to immobilize biotinylated single-stranded DNA and utilized for monitoring of selective DNA hybridization. These proved the usability of polyimide based evanescent photonic devices for biosensing application.     

Structure,Composition, Mechanical,and Tribological Properties of BCN Films Deposited by Plasma Enhanced Chemical Vapor Deposition

In this work thin BCN films were deposited by plasma enhanced chemical vapor deposition (PECVD) using chloridic precursors. Through adjusting the BCl₃ content in the inlet gas mixture the chemical composition of the deposited films was changed from carbon rich to boron rich. Based on optical emission spectroscopy (OES) measurements, a correlation between film composition and precursor species concentration in the plasma was established. The films were amorphous as detected by grazing incidence X-ray diffraction (GIXRD). The hardness and the elastic modulus have maximal values of 25.5±1.2 and 191±6 GPa, respectively, for the films with a boron concentration of 45.2 at.%. GIXRD data suggest that a depletion in boron content may initiate the formation of graphitic domains in the amorphous matrix. The observed degradation of the mechanical properties is associated with the graphitization. The tribological behavior was studied with a tribometer operated in pin-on-plate configuration at the temperatures 25 and 400°C. The wear mechanisms were discussed with respect to the formation of a boric acid surface layer which was detected by reflection electron energy loss spectroscopy (REELS) analysis.     

New Forms of Carbon

A number of novel carbon materials whose unique properties fit them for many uses have recently been developed. Pyrolytic graphites are excellent conductors of heat and electricity parallel to the surface, whereas they are semiconductors perpendicular to the surface. A similar anisotropy is found in graphite foils, which are impermeable, but also very flexible. Glasslike carbon, which is also impermeable, is, however, completely isotropic. Carbon foams and felts are extremely light and exhibit very good thermal insulation up to high temperatures. In addition to very high strength, carbon fibers have values of Young's modulus greater than that of any other fibers or wires. Carbon fiber/resin composites are therefore more rigid than any other known materials; their specific Young's modulus is five times that of steel.     

First principles prediction of the elastic,electronic, and optical properties of Sb2S3 and Sb2Se3 compounds

We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb₂S₃ and Sb₂Se₃ compounds using the density functional theory within the local density approximation. The lattice parameters, bulk modulus, and its pressure derivatives of these compounds have been obtained. The second-order elastic constants have been calculated, and the other related quantities such as the Young's modulus, shear modulus, Poisson's ratio, anisotropy factor, sound velocities, Debye temperature, and hardness have also been estimated in the present work. The linear photon-energy dependent dielectric functions and some optical properties such as the energy-loss function, the effective number of valence electrons and the effective optical dielectric constant are calculated. Our structural estimation and some other results are in agreement with the available experimental and theoretical data.     

Elastic properties of YAG: First-principles calculation and experimental investigation

The hardness and elastic stiffness of Y₃Al₅O₁₂ (YAG) were investigated by first-principles calculations and experiments. The mechanical properties including the second-order elastic coefficients, hardness, bulk modulus, Young's modulus and shear modulus were calculated by density functional theory (DFT). The calculated results were in good agreement with the experimental values. The hardness of YAG is mainly attributed to Al_tet–O bonds. The elastic anisotropy of YAG was discussed. Zener anisotropy parameter of YAG is close to unit and its universal anisotropy index is very close to zero, which indicates the structure of YAG is nearly centrosymmetric. The longitudinal and transverse sound velocities and Debye temperature were also investigated.     

The tribological performance of fullerene‐like hydrogenated carbon films under ionic liquid lubrication

Fullerene‐like hydrogenated carbon films were deposited on Si substrate by plasma‐enhanced chemical vapor deposition. The microstructures of films were characterized by high‐resolution transmission electron microscopy and Raman spectrum. The tribological performance of films was tested by reciprocating ball‐on‐disc tester under 1‐ethyl‐3‐methylimidazolium tetrafluoroborate ionic liquid. The surface morphology and chemical composition of wear tracks and wear rates were investigated by optical microscope, X‐ray photoelectron spectroscopy, and 3D surface profiler. The results indicated that the film with a typical fullerene‐like structure embedded into the amorphous sp² and sp³ carbon networks could be prepared successfully, and the film shows a higher hardness (26.7 GPa) and elastic recovery (89.9%) compared with the amorphous carbon film. Furthermore, the film shows a lower friction coefficient at low contact load and friction frequency, and excellent wear‐resistance performance at high load and frequency under ionic liquid lubrication. Meanwhile, the wear life of fullerene‐like hydrogenated carbon films could be improved significantly using ionic liquid as a lubrication material. Copyright © 2015 John Wiley & Sons, Ltd.     

Theoretical assessment of structural,mechanical, and thermodynamic properties of Pd2Al

The physical properties, namely structural, mechanical, and thermodynamic properties, of Pd₂Al intermetallic compound were explored through first-principles calculations within the framework of density functional theory. The calculated lattice constants were consistent with the available experimental data. The calculated elastic constants revealed that Pd₂Al was mechanically stable. By the predicted elastic constants, several related properties, namely Cauchy pressures, shear anisotropy factors, directional Young's modulus, bulk, shear and Young's moduli, the ratio of K/G, Vickers hardness, sound velocity, and minimum thermal conductivity for Pd₂Al were evaluated. According to the calculated results, it was found that Pd₂Al possesses a highly anisotropic feature and behaves in a ductile manner with low stiffness. Finally, temperature-dependence of thermodynamic properties, namely Debye temperature and heat capacity, were also evaluated through the quasi-harmonic Debye model.     

Characterization of PVA and Chitosan/PVA Blends Prepared from Aqueous Solutions of Various Na2SO4 Concentrations

Uniplaner orientation of a particular crystal plane along the surface of a film was investigated for poly (vinyl alcohol) (PVA) film prepared by a coagulation bath with concentrated aqueous solution containing 100 ∼ 300g of Na₂SO₄ against 1 ℓ of water. The orientation distribution functions of the three crystallographic principal axes of the dried films were obtained by the X-ray diffraction technique. The same treatment was carried out for the films prepared by stretching biaxially of the fresh gel and then by drying the resultant fresh gel. The very high preferential orientation of the crystal chain axes and amorphous chain segments could be realized by the biaxially elongation. Accordingly, the techniques were applied to the biaxially stretching of chitosan and PVA blend films with high Young's modulus. The planer orientation of the chain axes of chitosan and PVA crystallites could be confirmed. The morphology of the film surface was estimated by measurements of contact angle and electron spectroscopy for chemical analysis. The results suggested that the admixture of chitosan decreases wet ability of the specimen and this tendency was slightly enhanced by the biaxially elongation.     

Growth mechanism of amorphous carbon by liquid plasma electrolytic deposition

The growth mechanism of amorphous carbon film by the liquid deposition process is still unclear. In this study, the influence of applied voltages on the surface morphology and microstructure of amorphous carbon films was investigated as well as the bonding probability at the film/substrate interface, and a new mechanism of film growth was proposed from the electrochemistry and non‐equilibrium thermodynamics viewpoints. The results showed that growth of amorphous carbon film involved the island groove morphology; more graphitic carbons are present within the film as the applied voltage increased. A coupling model of the growth mechanism including the ionization–absorption–dehydrogenation process and the chemical volume polymerization is highlighted. Copyright © 2016 John Wiley & Sons, Ltd.     

Effects of methyl sidegroup on the extent of hydrogen bonding and modulus of polyurethane elastomers

The effects of methyl sidegroup on the properties of polyurethane elastomers, mainly hydrogen bonding and elastic properties, were studied. Polyurethanes of almost equal crosslinking density and urethane group concentration, but with different side methyl groups, were prepared by a prepolymer method. The extent of hydrogen bonding was determined by an infrared technique. The density and Young's modulus are decreased by the introduction of methyl sidegroup, swelling ratio and T_g are increased, but the extent of hydrogen bonding is not affected.     

Hardness Equation for Ormosils

Hardness of ormosils coating on various kinds of substrates is important, and by considering recent progresses in understanding the hardness of ionic crystals or covalent crystals, new hardness equations for calculating the hardness of glasses or ormosils from chemical compositions were derived. When we applied an indenter to the surface of glass or sol-gel coatings, the surface of indenter is a declined one to the flat surface of glass or coating, thus the applied force should be analyzed by using the shear modulus, S, and Young's modulus, E. This is now well accepted for the analysis of hardness of ionic or covalent bonding inorganic materials. For example, by considering the binding energy and plastic deformation, Gilman showed that Hv of NaCl crystal can be calculated by an equation including elastic stiffness which indicated a good agreement between calculated and observed value. For covalent crystals he reported that the strength of chemical bonds could be correlated with the glide (shear) activation energy for covalent crystals quantitatively. These explanations are basically applied to the hardness of silicate glasses and ormosils. By considering both shear modulus and Young's modulus we have derived equations for calculating the hardness of glasses or ormosils from chemical composition, which includes packing density of atoms and bond energy per unit volume has been taken account. The agreements between calculated and observed hardness values for ormosils were comparatively good.     

Mesoscopic Simulation Assistant Design of Immiscible Polyimide/BN Blend Films with Enhanced Thermal Conductivity

The mesoscopic simulation technique was applied to describe the phase separation behavior of polyimide blends and used for design of immiscible polyimide/BN blend films with enhanced thermal conductivity. The simulation equilibrium morphologies of different poly(amic acid)(PAA) blend systems were investigated and compared with optical images of corresponding polyimide blend films obtained by experiment. The immiscible polyimide blend films containing nano-/micro-sized BN with vertical double percolation structure were prepared. The result indicated that the thermal conductivity of polyimide blend film with 25 wt% nano-sized BN reached1.16 W/(m·K), which was 236% increment compared with that of the homogenous film containing the same BN ratio. The significant enhancement in thermal conductivity was attributed to the good phase separation of polyimide matrix, which made the inorganic fillers selectively localized in one continuous phase with high packing density, consequently, forming the effective thermal conductive pathway.     

Preparing of high-quality carbon film from polyimide films by gradient heat treatment process

A series of carbon-graphite films were prepared via the gradient heating based on polyimide films under nitrogen atmosphere. FTIR spectroscopy, X-ray diffraction, Raman spectrum were used to systemically investigate the evolutions of chemical structure, crystal structure, thermal stability, morphological microstructure and properties of the carbon-graphite films. The study shows that the segment fracture and thermal cross-linking reaction occur first during the low temperature pyrolysis process of PI films, and the thermal cross-linking reaction changes the structure of polyimide. Radicals start restructuring and the thermal condensation becomes sharp with the increase of heat treatment temperature, and the amorphous structure of film is transformed into the ordered graphite structure, at the same time the crystallinity and orientation of the films are improved. When it reaches a certain temperature, the crystal lattice is further improved, and the structure of film can be transformed into polycrystalline graphite structure. With the increase of the temperature, the carbon content of film is gradually increasing, and the surface resistivity is smaller and smaller. It is obvious that once the continuous conductive network of carbon formed, the conductivity of composite sheet films hardly changed.     

First-principles calculations of the stability and hydrogen storage behavior of C14 Laves phase compound TiCrMn

The structural, elastic properties, electronic structure and hydrogen storage behavior of TiCrMn with a hexagonal C14 structure were investigated by the first-principles calculations within the frame work of DFT. The calculated lattice constants were consistent with the experimental values, and obtained cohesive energy and formation enthalpy showed TiCrMn is of the structural stability. These results also indicated that Mn atoms would optionally substitute on the Cr sites of TiCr₂ phase to form the ternary intermetallic TiCrMn. The five independent elastic constants as well as polycrystalline elastic parameters (bulk modulus B, shear modulus G, Young's modulus E, Poisson's ratio ν and anisotropy value A) were calculated, and then the ductility and elastic anisotropy of TiCrMn were discussed in details. Furthermore, the electronic DOS and charge density distribution of TiCrMn were also calculated, which revealed the underlying mechanism of structural stability and chemical bonding. Finally, the binding energy of hydrogen in hydride TiCrMn(H₃) was investigated, confirming the better hydrogen storage behavior of C14 Laves phase TiCrMn.     

Conductive Composite Materials of Polyethylene and Polypyrrole with High Modulus and High Strength

Composite films of polyethylene (PE) and polypyrrole (PPy) were prepared by polymerization of PPy on an ultradrawn polyethylene film with high modulus and high strength in ferric chloride (FeCl₃) aqueous solution. The electrical conductivity of the composite film was found to be related to the polymerization conditions, such as polymerization temperature, polymerization time, the concentration and the oxidation potential of the FeCl₃ solution. Scanning electron microscopy, FTIR and ¹³C NMR spectra were used to elucidate the morphological and structural variations of PPy prepared under different conditions, which lead to the differences in the electrical properties of the resultant composite films. The best electrical conductivity of the composite was about 5.5 S/cm for the film prepared under optimum conditions. The Young's modulus and the tensile strength reached 80 GPa and 3.2 GPa, respectively, which indicated the successful production of a conductive polymer with high strength and high modulus.     

Preparation and morphological,electrical, and mechanical properties of polyimide‐grafted MWCNT/polyimide composite

Precursor of polyimide, polyamic acid has been prepared sucessfully. Acid‐modified carbon nanotube (MWCNT) was grafted with soluble polyimide then was added to the polyamic acid and heated to 300 °C to form polyimide/carbon nanotube composite via imidation. Morphology, mechanical properties and electrical resistivity of the MWCNT/polyimide composites have been studied. Transmission electron microscope microphotographs show that the diameter of soluble polyimide‐grafted MWCNT was increased from 30–60 nm to 200 nm, that is a thickness of 70–85 nm of the soluble polyimide was grafted on the MWCNT surface. PI‐g‐MWCNT was well dispersed in the polymer matrix. Percolation threshold of MWCNT/polyimide composites has been investigated. PI‐g‐MWCNT/PI composites exhibit lower electrical resistivity than that of the acid‐modified MWCNT/PI composites. The surface resistivity of 5.0 phr MWCNT/polyimide composites was 2.82 × 10⁸ Ω/cm² (PI‐g‐MWCNT) and 2.53 × 10⁹ Ω/cm² (acid‐modified MWCNT). The volume resistivity of 5.0 phr MWCNT/polyimide composites was 8.77 × 10⁶ Ω cm (PI‐g‐MWCNT) and 1.33 × 10¹³ Ω cm (acid‐modified MWCNT).Tensile strength and Young's modulus increased significantly with the increase of MWCNT content. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3349–3358, 2007