• Bulletin of the Korean Chemical Society
• /
• v.30 no.11
• /
• pp.2595-2602
• /
• 2009

Hexamer cluster of N,N-dimethylformamide(DMF) based on the crystal structure was investigated for the equilibrium structure, the stabilization energies, and the vibrational properties in the density functional force field. The geometry (point group $C_i$) of fully optimized hexamer clustered DMF shows quite close similarity to the crystal structure weakly intermolecular hydrogen bonded each other. Stretching force constants for intermolecular hydrogen bonded methyl and formyl hydrogen atoms with nearby oxygen atom, methyl C–H${\cdots}$O and formyl C–H${\cdots}$O, were obtained in 0.055 $\sim$ 0.11 and $\sim$ 0.081 mdyn/$\AA$, respectively. In-plane bending force constants for hydrogen bonded methyl hydrogen atoms were in 0.25 $\sim$ 0.33, and for formyl hydrogen $\sim$ 0.55 mdynÅ. Torsion force constants through hydrogen bonding for methyl hydrogen atoms were in 0.038 $\sim$ 0.089, and for formyl hydrogen atom $\sim$ 0.095 mdynÅ. Calculated Raman and infrared spectral features of single and hexamer cluster represent well the experimental spectra of DMF obtained in the liquid state. Noncoincidence between IR and Raman frequency positions of stretching C=O, formyl C–H and other several modes was interpreted in terms of the intermolecular vibrational coupling in the condensed phase.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
• /
• v.25 no.7
• /
• pp.500-505
• /
• 2012

In this study, the influence of the intermolecular distance on the charge mobility in a pentacene thin-film was investigated. In order to increase the mobility which depends on the ${\pi}$-overlap between molecules, the intermolecular distance was shortened by compressive force along the conduction channel. Pentacene thin-film was fabricated on flexible substrates bent outward at different radii to stretch the gate dielectric surface and then the substrates were unbent, producing the compressive force to the film. The result showed that the mobility increased proportionally to the strain applied during the pentacene deposition and the molecular packing inside a grain was not optimal for the charge transport.

• 제어로봇시스템학회:학술대회논문집
• /
• 2002.10a
• /
• pp.108.6-108
• /
• 2002

It is greatly important to understand the mechanics of AFM-based nanorobotic manipulation for efficient and reliable handling of nanoparticles. Robust motion control of an AFM-based nanorobotic manipulation is much challenging due to uncertain mechanics in tip-sample interaction dominated by surface and intermolecular force and limitations in force and visual sensing capability to observe environment. This paper investigates a nanomechanic modeling which enables simulation for AFM-based nanorobotic manipulation , and its application to motion planning of an AFM-based nanorobot. Based on the modeling of intermolecular and adhesion force in AFM-based nanomanipulation, the behaviors of an AFM ca...

• Bulletin of the Korean Chemical Society
• /
• v.31 no.9
• /
• pp.2717-2720
• /
• 2010

• Steel and Composite Structures
• /
• v.18 no.6
• /
• pp.1541-1555
• /
• 2015

In this paper mechanical behavior of the functional gradient materials (FGM) micro-gripper under thermal load and DC voltage is numerically investigated taking into account the effect of intermolecular forces. In contrary to the similar previous works, which have been conducted for homogenous material, here, the FGM material has been implemented. It is assumed that the FGM micro-gripper is made of metal and ceramic and that material properties are changed continuously along the beam thickness according to a given function. The nonlinear governing equations of the static and dynamic deflection of microbeams have been derived using the coupled stress theory. The equations have been solved using the Galerkin based step-by-step linearization method (SSLM). The solution procedure has been evaluated against available data of literature showing good agreement. A parametric study has been conducted, focusing on the combined effects of important parameters included DC voltage, temperature variation, geometrical dimensions and ceramic volume concentration on the dynamic response and stability of the FGM micro-gripper.

• Bulletin of the Korean Chemical Society
• /
• v.29 no.10
• /
• pp.1951-1959
• /
• 2008

Pentamer cluster of azodicarbonamide (ADA) based on the crystalline structure was investigated for the equilibrium structure, the stabilization energies, and the vibrational properties at various levels of the density functional theory. Stretching force constants of N${\cdot}{\cdot}{\cdot}$H or O${\cdot}{\cdot}{\cdot}$H, and angle-bending force constants of N-H${\cdot}{\cdot}{\cdot}$N or N-H${\cdot}{\cdot}{\cdot}$O for intermolecular hydrogen bonds in the pentamer cluster were obtained in 0.2-0.5 mdyn/$\AA$ and 1.6-2.0 mdyn$\AA$, respectively. The geometry of central ADA molecule fully hydrogen bonded with other four molecules shows good coincidence to the crystalline structure except the bond distances of N-H. Calculated Raman and infrared spectra of central ADA molecule in cluster represent well the experimental spectra of ADA obtained in the solid state compared to a single molecule. Detailed structural and vibrational properties of central ADA molecule in the pentamer cluster are presented.

• Coupled systems mechanics
• /
• v.2 no.3
• /
• pp.215-230
• /
• 2013

This paper investigates the pull-in instability of functionally graded poly-SiGe micro-beams under the combined electrostatic and intermolecular forces and temperature change. The exponential distribution model and Voigt model are used to analyze the functionally graded materials (FGMs). Principle of virtual work is used to derive the nonlinear governing differential equation which is then solved using differential quadrature method (DQM). A parametric study is conducted to show the significant effects of material composition, geometric nonlinearity, temperature change and intermolecular Casimir force.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
• /
• v.11 no.3
• /
• pp.221-228
• /
• 1998

In this study, the $\beta$-Polyvinylidene fluoride(PVDF) thin films were fabricated by physical vapor deposition method. Also, the properties of dielectric relaxation were studied to understand carrier's behavior of PVDF thin films, to be regarded as the excellent piezo and pyroelectricity. In the process of vapor deposition, the $\beta$-PVDF thin films have been fabricated under the condition of the substrate temperature at 3$0^{\circ}C$, the applied electric field at 142.8kV/cm and the pressure at 2.0${\times}10^{-5}$torr. The dielectric properties of PVDF have been studied in the frequency range 10Hz to 1MHz at temperature from 30 to $100^{\circ}C$. The relative dielectric constant of $\alpha$ and $\beta$-PVDF were 6.8 and 9.8, respectively, under a frequency of 1kHz. Such a phenomenon was caused by the decrease in intermolecular forces originated by the phase-transition from the TGTG' molecular conformation to the TT planar zig-zag conformation. And the relative dielectric constant is increased as a measuring temperature increases, because of the reduction of relaxation time caused by the decrease of intermolecular force.

• Current Industrial and Technological Trends in Aerospace
• /
• v.8 no.1
• /
• pp.96-103
• /
• 2010

The propulsion systems such as upper stages of launch vehicles, orbiters, spacecrafts have to operate in the zero gravity environment. Because the flight condition where the vehicle undergoes is different from the normal gravity state, many studies have been being in progress. Fluid behavior in the zero gravity condition is differently shown in the normal gravity state because the importance of the intermolecular force, such as adhesion, cohesion, and surface tension is enlarged. In this paper, we investigate the characteristic of fluid behavior and describe effects and problems on the liquid propulsion system due to these fluid behavior. We also check which studies are in progress in order to solve these problems.

• Proceedings of the Korean Society of Propulsion Engineers Conference
• /
• 2010.11a
• /
• pp.573-576
• /
• 2010

The propulsion systems such as upper stages of launch vehicles, orbiters, spacecrafts have to operate in the zero gravity environment. Because the flight condition where the vehicle undergoes is different from the normal gravity state, many studies have been being in progress. Fluid behavior in the zero gravity condition is differently shown in the normal gravity state because the importance of the intermolecular force, such as adhesion, cohesion, and surface tension is enlarged. In this paper, we investigate the characteristic of fluid behavior and describe effects and problems on the liquid propulsion system due to these fluid behavior. We also check which studies are in progress in order to solve these problems.