• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.25-25
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• 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
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• v.33 no.3
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• pp.897-900
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• 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.

• Proceedings of the Optical Society of Korea Conference
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• 2003.02a
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• pp.22-23
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• 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
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• v.32 no.2
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• pp.515-518
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• 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
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• v.31 no.8
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• pp.932-938
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• 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.

• Korean Journal of Materials Research
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• v.10 no.8
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• pp.581-588
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• 2000

Phase transition of the Lennard-Jonesian binary system with a free surface was studied by employing molecular dynamics simulation. The main focus of this study was to investigate the effect of size misfit and solute concentration on phase transition during heating and quenching. For a binary system with a free surface, the melting point and the critical quenching rate decrease as size misfit and solute concentration increase.

• Journal of IKEEE
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• v.10 no.2 s.19
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• pp.97-102
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• 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
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• v.20 no.3
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• pp.11-18
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• 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.

• The Transactions of the Korean Institute of Electrical Engineers
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• v.45 no.3
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• pp.407-414
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• 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.

• Journal of the Korean Ceramic Society
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• v.44 no.8
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• pp.412-418
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• 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.