• Journal of Theoretical and Applied Mechanics
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• 제1권1호
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• pp.69-88
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• 1995

The paper attempts to estimate the incubation time of a cavity in the interface between a power law creep particle and an elastic matrix subjected to a uniaxial stress. Since the power law creep particle is time dependent, the stresses in the interface relax. Through previous stress analysis related to the present physical model, the relaxation time is defined by ${\alpha}$2 which satisfies the equation $\Gamma$0 ｜1+${\alpha}$2k｜m=1-${\alpha}$2 [19]. $\Gamma$0=2(1/√3)1+m($\sigma$$\infty$/2${\mu}$)m($\sigma$0/$\sigma$$\infty$tm) where $\sigma$$\infty$ is an applied stress, ${\mu}$ is a shear modulus of a matrix, $\sigma$$\infty$ is a material constant of a power law particle, $\sigma$=$\sigma$0 $\varepsilon$ and t elapsed time. the volume free energy associated with Helmholtz free energy includes strain energies associated with Helmholtz free energy includes strain energies caused by applied stress anddislocations piled up in interface (DPI). The energy due to DPI is found by modifying the results of Dundurs and Mura[20]. The volume free energies caused by both applied stress and DPI are a function of the cavity size(${\gamma}$) and elapsed time(t) and arise from stress relaxation in the interface. Critical radius ${\gamma}$ and incubation time t to maximize Helmholtz free energy is found in present analysis. Also, kinetics of cavity fourmation are investigated using the results obtained by Riede[16]. The incubation time is defied in the analysis as the time required to satisfy both the thermodynamic and kinetic conditions. Through the analysis it is found that [1] strain energy caused by the applied stress does not contribute significantly to the thermodynamic and kinetic conditions of a cavity formation, 2) in order to satisfy both thermodynamic and kinetic conditions, critical radius ${\gamma}$ decreases or holds constant with increase of time until the kinetic condition(eq.40) is satisfied. Therefore the cavity may not grow right after it is formed, as postulated by Harris[11], and Ishida and Mclean[12], 3) the effects of strain rate exponent (m), material constant $\sigma$0, volume fraction of the particle to matrix(f) and particle size on the incubation time are estimated using material constants of the copper as matrix.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2009년도 제38회 동계학술대회 초록집
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• pp.358-358
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• 2010

Ion beam bombardment at low energy forms nanosize patterns such as ripples, dots or wrinkles on the surface of polymers in ambient temperature and pressure. It has been known that the ion beam can alter the polymer surface that induces skins stiffer or the density higher by higher compressive stress or strain energies associated with chain scissions and crosslinks of the polymer. Atomic scale structure evolution in polymers is essential to understand a stress generation mechanism during the ion beam bombardment, which governs the nanoscale surface structure evolution. In this work, Molecular Dynamics (MD) simulations are employed to characterize the phenomenon occurred in bombardment between the ion beam and polymers that forms nanosize patterns. We investigate the structure evolution of Low Density Polyethylene (LDPE) at 300 K as the polymer is bombarded with Argon ions having various kinetic energies ranging from 100 eV to 1 KeV with 50 eV intervals having the fluence of $1.45\;{\times}\;1014 #/cm2$. These simulations use the Reactive Force Field (ReaxFF), which can mimic chemical covalent bonds and includes van der Waals potentials for describing the intermolecular interactions. The results show the details of the structural evolution of LDPE by the low energy Ar ion bombardment. Analyses through kinetic and potential energy, number of crosslinks and chain scissions, level of local densification and motions of atoms support that the residual strain energies on the surface is strongly associated with the number of crosslinks or scissored chains. Also, we could find an optimal Ar ion beam energy to make crosslinks well.

• Bulletin of the Korean Chemical Society
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• 제35권5호
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• pp.1379-1384
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• 2014

${\alpha}-Fe_2O_3$ spherical particles having an average diameter of ca. 420 nm and ${\alpha}-Fe_2O_3$ fine particles (< 10 ${\mu}m$ particle size) were prepared to examine as catalysts for CO oxidation. Kinetic studies on the catalytic reactions were performed in a flow reactor using an on-line gas chromatography system operated at 1 atm. The apparent activation energies and the partial orders with respect to CO and $O_2$ were determined from the rates of CO disappearance in the reaction stage showing a constant catalytic activity. In the temperature range of $150-275^{\circ}C$, the apparent activation energies were calculated to be 13.7 kcal/mol on the ${\alpha}-Fe_2O_3$ spherical submicron clusters and 15.0 kcal/mol on the ${\alpha}-Fe_2O_3$ fine powder. The Pco and $Po_2$ dependencies of rate were investigated at various partial pressures of CO and $O_2$ at $250^{\circ}C$. Zero-order kinetics were observed for $O_2$ on both the catalysts, but the reaction order for CO was observed as first-order on the ${\alpha}-Fe_2O_3$ fine powder and 0.75-order on the ${\alpha}-Fe_2O_3$ spherical submicron clusters. The catalytic processes including the inhibition process by $CO_2$ on the ${\alpha}-Fe_2O_3$ spherical submicron powder are discussed according to the kinetic results. The catalysts were characterized using XRD (X-ray powder diffraction), FE-SEM (field emission-scanning electron microscopy), HR-TEM (high resolution-transmission electron microscopy), and $N_2$ sorption measurements.

• 한국지형학회지
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• 제17권1호
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• pp.49-57
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• 2010

한반도 중부에서의 강우사상 동안의 강우입자의 물리적 특성을 규명하고 강우강도와 강우에너지와의 관계를 도출하기 위해 2008년부터 2009년 사이에 3회에 걸쳐 경기도 안성시 고삼저수지 인근에서 laser-optical disdrometer를 이용하여 강우입자의 크기와 종말속도를 측정하였다. 측정된 강우입자의 크기분포와 강우입자의 종말속도를 이용하여 강우강도와 강우운동에너지 함유량(KE, Jm^-2mm^-1)과의 관계와 강우강도와 운동에너지 소비율(KER, Jm^-2h^-1)의 관계를 각각 제안하였다. 그리고 tipping-bucket 강우계로 측정한 강우강도를 disdrometer 의 강우강도로 보정해주는 관계도 제안하였다. 그리하여 본 연구에서 제안된 강우강도와 강우의 운동에너지와의 관계는 한반도 중부지방에서 5분 강우강도가 최대 40mmh^-1 아래인 경우에 강우강도를 이용하여 강우의 운동에너지로 변환하고자 할 때 유용한 모델이 될 수 있을 것으로 판단된다.

• Bulletin of the Korean Chemical Society
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• 제31권9호
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• pp.2588-2592
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• 2010

The potential energy surfaces (PESs) for the primary and secondary dissociations of the phenylarsane molecular ion (1a) were determined from the quantum chemical calculations using the G3(MP2)//B3LYP method. Several pathways for the loss of $H{\cdot}$ were determined and occurred though rearrangements as well as through direct bond cleavages. The kinetic analysis based on the PES for the primary dissociation showed that the loss of $H_2$ was more favored than the loss of $H{\cdot}$, but the $H{\cdot}$. loss competed with the $H_2$ loss at high energies. The bicyclic isomer, 7-arsa-norcaradiene radical cation, was formed through the 1,2 shift of an $\alpha$-H of 1a and played an important role as an intermediate for the further rearrangements in the loss of $H{\cdot}$ and the losses of $As{\cdot}$ and AsH. The reaction pathways for the formation of the major products in the secondary dissociations of $[M-H]^+$ and $[M-H_2]^{+\cdot}$. were examined. The theoretical prediction explained the previous experimental results for the dissociation at high energies but not the dissociation at low energies.

• Carbon letters
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• 제9권2호
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• pp.121-126
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• 2008

High modulus pitch based carbon fibers (HM) were exposed to isothermal oxidation using tube furnace in carbon dioxide gas to study the oxidation kinetics under the temperature of $800-1100^{\circ}C$. The kinetic equation $f=1-{\exp}(-at^b)$ was introduced and the constant b was obtained in the range of 1.02~1.42. The oxidation kinetics were evaluated by the reaction-controlling regime (RCR) depending upon the apparent activation energies with the conversion increasing from 0.2 to 0.8. The activation energies decrease from 24.7 to 21.0 kcal/mole with the conversion increasing from 0.2 to 0.8, respectively. According to the RCR, the reaction was limited by more diffusion controlling regime for the HM fibers with the conversion increasing. Therefore, it seems that the oxidation which is under the diffusion controlling regime takes place continuously from the skin to the core of the fiber.

• Journal of Mechanical Science and Technology
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• 제18권5호
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• pp.838-846
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• 2004

Minimum ignition energies of hydrogen/air and methane/air mixtures have been investigated numerically by solving unsteady one-dimensional conservation equations with detailed chemical kinetic mechanisms. Initial kernel size needed for numerical calculation is a sensitive function of initial pressure of a mixture and should be estimated properly to obtain quantitative agreement with experimental results. A simple macroscopic model to determine minimum ignition energy has been proposed, where the initial kernel size is correlated with the quenching distance of a mixture and evaluated from the quenching distance determined from experiment. The simulation predicts minimum ignition energies of two sample mixtures successfully which are in a good agreement with the experimental data for the ranges of pressure and equivalence ratio.

• 한국정보디스플레이학회:학술대회논문집
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• 한국정보디스플레이학회 2002년도 International Meeting on Information Display
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• pp.221-223
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• 2002

We have measured the secondary electron emission yield ${\gamma}_i$ from MgO films deposited on $SiO_2/Si$ for low energy noble ions. A pulsed ion beam technique was employed in order to suppress the surface charging effect during the measurement. From the measurement of the ion - induced secondary electron emission coefficients ${\gamma}_i$ for 5 noble ions with energies ranging from 50 eV to 225 eV, it was shown that, with increasing the kinetic energies of the incident ions, the ${\gamma}_i$ increased

• 한국수소및신에너지학회논문집
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• 제12권1호
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• pp.51-63
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• 2001

In this paper molecular dynamics simulations were employed to investigate the structural and dynamic properties of hydrogen ions impacted on the Ni (100) surface with the $45^{\circ}$ incident angle. The initial kinetic energies of the hydrogen ion range from 100 to 1,600 eV. Together with the trajectory visualization of hydrogen ions, we computed scattering and penetration yields, mean energies and angles, and probability and energy distributions as a function of longitudinal and azimuthal directions. In the case of lower energy scattering ions, the multiple collision effects were found to be important to the third layers or lower. For higher energy penetrating ions, compared with the normal incident angle, it was significant the effective channeling effects through the Ni layers and the angle dependencies were indicated both in the longitudinal and the azimuthal angle directions.

• Bulletin of the Korean Chemical Society
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• 제7권5호
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• pp.391-395
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• 1986

MNDO calculations were carried out to determine reactant complexes and transition states of the $S_N2$ reactions of $CH_3X\;+\;Y^-\;{\to}\;CH_3Y\;+\;X^-$ where X = F, Cl, CN and Y = CN, OH, F, Cl. The leaving group ability was found to vary inversely with the activation barrier, which in turn was mainly ascribable to the deformation energies accompanied with bond stretching of C-X bond and inversion of $CH_3$ group. The nucleophilicity was shown to be in the order $Cl^->F^->OH^->CN^-$ but the effect on the activation barrier was relatively small compared with that of the leaving group. The bond breaking and bond formation indices and energy decomposition analysis showed that the TS for the reaction of $CH_3$Cl occurs in the early stage of the reaction coordinate relative to that of $CH_3$F. It has been shown that the potential energy surface (PES) diagrams approach can only accommodate thermodynamic effects but fails to correlate intrinsic kinetic effects on the TS structure.