• 한국진공학회:학술대회논문집
• /
• 한국진공학회 2000년도 제18회 학술발표회 논문개요집
• /
• pp.25-25
• /
• 2000

In this talk we discuss the dynamics of hydrogen on the Si(100)-2xl surface. At room temperature the sticking coefficient for molecular hydrogen on this surface is less than 10sup-12. However, hydrogen molecules desorbing from the surface do not have an excess of energy, suggesting at best a small barrier on the exit channel. These observations have led to speculation about the validity of detailed balance in this system. Here we show that this discrepancy can be explained by considering both the surface-molecule co-ordinate and that associated with the Si-Si dimer bond tiltangle. By preparing the surface dimers with a specific tiltangle we demonstrate that the barrier to adsorption is a function of this angle and that the sticking coefficient dramatically increase for certain angles. The adsorption-desopption dynamics can then be described in terms of a common potential energy hypersurface involving both of these co-ordinates. The implications of these observations are also discussed. The dynamics of adsorbed hydrogen atoms on the Si(100) surface is also described. Paired dangling bonds produced following recombinative hydrogen desorption are mobile at elevated temperatures. Pairs of dangling bonds are observed to dissociate, diffuse, and ultimately recombine. At sufficiently elevated temperatures dangling bond exchange reactions are observed. These data are analyzed in terms of an attractive zone and an effective binding interaction between dangling bonds. Insights that this provides into the nature of surface defects and the localized chemistry that occurs on this surface, are also discussed.

• Bulletin of the Korean Chemical Society
• /
• 제33권3호
• /
• pp.897-900
• /
• 2012

We examined theory for force-induced unbinding on a two-dimensional free energy surface where the internal dynamics of biomolecules is coupled with the rupture process under constant tension f. We show that only if the transition state ensemble is narrow and activation barrier is high, the f-dependent rupture rate in the 2D potential surface can faithfully be described using an effective 1D energy profile.

• 한국광학회:학술대회논문집
• /
• 한국광학회 2003년도 제14회 정기총회 및 03년 동계학술발표회
• /
• pp.22-23
• /
• 2003

The new method of x-ray photon correlation spectroscopy (XPCS) [1] is developed recently for probing the dynamics of surface height fluctuations as a function of lateral length scale. Measurements were performed on supported polystyrene (PS) films of thicknesses varying from 84 to 333 nm at temperatures above the PS glass transition temperature. Within a range of wave vectors spanning $10^{-3}$ to $10^{-2}$ $nm^{-1}$, good agreement is found between the measured surface dynamics and the theory of overdamped thermal capillary waves on thin films. Quantitatively, the data can be accounted for using the viscosity of bulk PS. (omitted)

• Bulletin of the Korean Chemical Society
• /
• 제32권2호
• /
• pp.515-518
• /
• 2011

We investigated how temperature influences the structural and energetic dynamics of carbon nanotubes (CNTs) undergoing a high-speed impact with a Si (110) surface. By performing molecular dynamics simulations in the temperature range of 100 - 300 K, we found that a low temperature CNT ends up with a higher vibrational energy after collision than a high temperature CNT. The vibrational temperature of CNT increases by increasing the surface temperature. Overall, the structural and energy relaxation of low temperature CNTs are faster than those of high temperature CNTs.

• Journal of Advanced Marine Engineering and Technology
• /
• 제31권8호
• /
• pp.932-938
• /
• 2007

The interaction between adherent molecules and gas molecules was modeled in molecular scale and simulated by the molecular dynamics method in order to understand the evaporation and removal processes of adherent molecules on metallic surface using high temperature gas flow. Methanol molecules were chosen as adherent molecules to investigate effects of adhesion quantify and gas molecular collisions because the industrial oil has too complex structures of fatty acid. The effects of adherent quantify, gas temperature and surface temperature for the evaporation rate of adherent molecules and the molecular removal mechanism were investigated and discussed in the present study. Evaporation and removal rates of adherent molecules from metallic surface calculated by the molecular dynamics method showed the similar dependence on surface temperature shown in the experimental results.

• 한국재료학회지
• /
• 제10권8호
• /
• pp.581-588
• /
• 2000

Free surface를 가진 레나트-존스 이원계의 가열, 냉각에 따른 상전이를 molecular dynamics simulation을 이용하여 연구하였다. 용매-용질우너자간의 size misfit과 용질우너자의 농도변화에 따른 상전이 거동을 살펴본 결과 size misfit과 용질원자의 농도가 증가함에 따라 가열시 용융시 낮은 온도에서 쉽게 발생하였고, 냉각시 임계냉각속도가 감소하여 결정화는 어려워졌다.

• 전기전자학회논문지
• /
• 제10권2호통권19호
• /
• pp.97-102
• /
• 2006

In this paper, a new simple integral variable structure controller is designed with incorporating the actuator dynamics. The formulation of the VSS (variable structure system) controller design includes integral augmented sliding surface and the dynamics of the actuator expressed as the state equation. An illustrative example is given to show the effectiveness of the developed controller.

• Journal of Advanced Marine Engineering and Technology
• /
• 제20권3호
• /
• pp.11-18
• /
• 1996

Liquid droplets of water and argon surrounded by their vapor have been simulated by the milecular dynamics method. To explore the surface phenomena of clusters, each molecule is classified into 'liquid', 'surface', or 'vapor' with respect to the number of neighbor molecules. The contribution of a 'surface' molecule of the water cluster to the far infrared spectrum is almist the same as that of the 'liquid' molecule. Hence, the liquid-vapor interface is viewed as geometrically and temporally varying boundary of 'liquid' molecules with only a single layer of 'surface' molecules that might have different characteristics from the 'liquid' molecules. The time scale of the 'phase change' of each molecule is estimated for the argon cluster by observing the instantancous kinetic and potential energies of each molecule. To compare the feature of clusters with macroscopic droplets, the temperature dependence of the surface tension of the argon cluster is estimated.

• 대한전기학회논문지
• /
• 제45권3호
• /
• pp.407-414
• /
• 1996

In this paper we consider the variable structure control for a class of discrete-time uncertain multivariable systems where the nominal system is linear. Discrete-time switching dynamics are introduced so that a new type of state trajectories called sliding mode may exist on the sliding surface by state feedback. The quantitative analysis for the matched uncertainties will show that every response of the system with the proposed switching dynamics is bounded within small neighborhoods of the state-space origin. Also, by the similarity transformation it will be shown that the eigenvalues of the closed-loop systems are composed of those of the subsystems which govern the range-space dynamics and null-space dynamics. It will be also shown that ideal sliding mode can be obtained in the absence of uncertainties due to one-step attraction to the sliding surface regardless of initial position of states. (author). 12 refs., 2 figs.

• 한국세라믹학회지
• /
• 제44권8호
• /
• pp.412-418
• /
• 2007

The atomic scale details of the melting of solid argon were monitored with the aid of molecular dynamics simulations. The potential energy distribution is substantially disturbed by an increase in the interatomic distance and the random of set distance from the lattice points, with increasing temperature. The potential energy barriers between the lattice points decrease in magnitude with the temperature. Eventually, at the melting point, these barriers can be overcome by atoms that are excited with the entropy gain acquired when the atoms obtain rotational freedom in their atomic motion, and the rotational freedom leads to the collapse of the crystal structure. Furthermore, it was found that the surface of crystals plays an important role in the melting process: the surface eliminates the barrier for the nucleation of the liquid phase and facilitates the melting process. Moreover, the atomic structure of the surface varies with increasing temperature, first via surface roughening and then, before the bulk melts, via surface melting.