• Bulletin of the Korean Chemical Society
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• v.28 no.12
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• pp.2343-2353
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• 2007

We report the application of time-dependent density functional theory (TDDFT) to the calculation of potential energy profile relevant to the excited state intramolecular proton transfer (ESIPT) processes in title molecules. The TDDFT single point energy calculations along the reaction path have been performed using the CIS optimized structure in the excited state. In addition to the Stokes shifts, the transition energies including absorption, fluorescence, and 0-0 transition are estimated from the TDDFT potential energy profiles along the proton transfer coordinate. The excited state TDDFT potential energy profile of SA and 3ASA resulted in very flat function of the OH distance in the range ROH = 1.0-1.6 A, in contrast to the relatively deep single minimum function in the ground state. Furthermore, we obtained very shallow double minima in the excited state potential energy profile of SA and 3ASA in contrast to the single minimum observed in the previous work. The change of potential energy profile along the reaction path induced by the substitution of electron donating groups (-NH2 and -OCH3) at different sites has been investigated. Substitution at para position with respect to the phenolic OH group showed strong suppression of excited state proton dislocation compared with unsubstitued SA, while substitution at ortho position hardly affected the shape of the ESIPT curve. The TDDFT results are discussed in comparison with those of CASPT2 method.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.21 no.11
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• pp.963-967
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• 2008

There are many factors to affect polishing performance normally in chemical mechanical polishing (CMP) process. One of the factors is a pad profile. A pad profile has not been considered as a significant factor. However, a pad profile is easily changed by conditioning process in CMP, and then changed pad profile affects polishing performance. Therefore, understanding how the pad profile is changed by conditioning process is very important. In this paper, through the simulation based on kinematic analysis, the variation of the pad profile was described in accordance with difference condition of conditioning process. A swing-arm type conditioner was applied in this simulation. A swing-arm type conditioner plays a role of generating asperities on pad surface. The conditions of conditioing process to get uniform removal were also investigated by comparing the simulation with the experiment.

• Proceedings of the International Microelectronics And Packaging Society Conference
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• 2000.04a
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• pp.17-17
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• 2000

The issue of reflow profiling continues to be a complex topic. The pains often associated with profiling can be reduced greatly if certain guidelines are followed and if there is a strong understanding of the variables that can be encountered during the reflow process. This paper shall discuss the appropriate guidelines and trouble shooting methods for reflow profiling, and in particular shall focus upon the benefits of implementing the linear ramp-to-spike profile. Delta T(T) is defined as the variation of temperature found on an assembly during the reflow process. Too large of a T can result in soldering defects, so to combat T a Ramp-Soak-Spike(RSS) reflow profile often is utilized. However, when using a newer-style reflow oven, the T often is minimized or eliminated, thus, the soak zone of the reflow profile becomes an unnecessary step. Because of this, the implementation of a linear Ramp-To-Spike(RTS) reflow profile should be considered. Benefits such as reduced energy costs, reduced solder defects, increased efficiency, improved wetting, and a simplification of the reflow profile process may be experienced when using the RTS profile. Included in this paper are the suggested process parameters for setting up the RSS and RTS profiles and the chemical and metallurgical reactions that occur at each set point of these profiles. The paper concludes with a discussion and pictures of several profile-related defects. Each of these defects is described, analyzed, and instructions are given for troublshooting these defects.

• Proceedings of the KIEE Conference
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• 1996.07c
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• pp.1492-1494
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• 1996

We have studied the generation, growth and behavior of chemical species and particles in silane PCVD. We included the plasma chemistry of silane, particle nucleation by homogeneous formation, acrosol dynamics and transport phenomena of chemical species and particles. The concentration profile of chemical species and particles were shown as a function of reactor length. The effects of process variables such as reactor pressure, total gas flow rate and electrical field strength on the behavior of chemical species and particles were analyzed.

• Tribology and Lubricants
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• v.35 no.6
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• pp.330-336
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• 2019

Conditioning is a process involving pad surface scraping by a moving metallic disk that is electrodeposited with diamond abrasives. It is an indispensable process in chemical-mechanical planarization, which regulates the pad roughness by removing the surface residues. Additionally, conditioning maintains the material removal rates and increases the pad lifetime. As the conditioning continues, the pad profile becomes unevenly to be deformed, which causes poor polishing quality. Simulation calculates the density at which the diamond abrasives on the conditioner scratch the unit area on the pad. It can predict the profile deformation through the control of conditioner dwell time. Previously, this effect of the diamond shape on conditioning has been investigated with regard to microscopic areas, such as surface roughness, rather than global pad-profile deformation. In this study, the effect of diamond shape on the pad profile is evaluated by comparing the simulated and experimental conditioning using two conditioners: a) random-shaped abrasive conditioner (RSC) and b) uniform-shaped abrasive conditioner (USC). Consequently, it is confirmed that the USC is incapable of controlling the pad profile, which is consistent with the simulation results.

• Macromolecular Research
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• v.11 no.3
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• pp.183-188
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• 2003

The controlled delivery of anticancer agents using biodegradable polymeric implant has been developed to solve the problem of penetration of blood brain barrier and severe systemic toxicity. This study was performed to prepare 5-FU-loaded poly (L-lactide-co-glycolide) (PLGA) wafer fabricated microparticles prepared by two different method and to evaluate their release profile for the application of the treatment of brain tumor. 5-FU-loaded PLGA microparticles were characterized by scanning electron microscopy (SEM), powder X-ray diffraction (XRD), and differential scanning calorimetry (DSC). SEM observation of the 5-FU-loaded PLGA microparticles prepared by rotary solvent evaporation method showed that 5-FU was almost surrounded by PLGA and significant reduction of crystallinity of 5-FU was confirmed by XRD. In case of release profile of 5-FU from 5-FU-loaded PLGA wafer fabricated microparticles prepared by mechanical mixing, the release profile of 5-FU followed near first order release kinetics. In contrast to the above result, release profile of 5-FU from 5-FU-loaded PLGA wafer fabricated microparticles prepared by rotary solvent evaporation method followed near zero order release kinetics. These results indicate that preparation method of the 5-FU-loaded PLGA microparticles to fabricate into wafers was contributed to drug release profile.

• 한국전산유체공학회:학술대회논문집
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• 2005.10a
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• pp.49-53
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• 2005

This paper presents a multi-scale hybrid simulation for the design of a catalytic multi-tubular reactor with high performance. The multi-tubular reactor consists of shell and a large number of tubes in which various catalytic chemical reactions occur. To consider fluid dynamics in the shell-side and kinetics in the tube-side at the same time, commercial CFD package and process simulation tool are coupled. This hybrid approach allowed us to predict many kinds of meaningful results such as tube center temperature profile, heat transfer coefficients on the tube wall, temperature rise of cooling medium, pressure drop through shell and tube side, concentration profile of each chemical species along the tube, and so on., and to achieve the optimal reactor design.

• Advances in concrete construction
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• v.7 no.3
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• pp.191-201
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• 2019

Bamboo concrete bond behaviour is investigated through pullout test in this work. The bamboo strip to be used as reinforcement inside concrete is first treated with chemical adhesive to make the bamboo surface impermeable. Various surface coatings are explored to understand their water repellant properties. The chemical action at the bamboo concrete interface is studied through different chemical coatings, sand blasting, and steel wire wrapping treatment. Whereas mechanical action at the bamboo concrete interface is studied by developing mechanical interlock. The result of pullout tests revealed a unique combination of surface treatment and grooved bamboo profile. This combination of surface treatment and a grooved bamboo profile together enhances the strength of bond. Performance of a newly developed grooved bamboo strip is verified against equivalent plain rectangular bamboo strip. The test results show that the proposed grooved bamboo reinforcement, when treated, shows highest bond strength compared to treated plain, untreated plain and untreated grooved bamboo reinforcement. Also, it is observed that bond strength is majorly influenced by the type of surface treatment, size and spacing of groove. The changes in bamboo-concrete bond behavior are observed during the experimentation.

• Proceedings of the Korean Vacuum Society Conference
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• 2012.08a
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• pp.80-81
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• 2012

Recently, one of the critical issues in the etching processes of the nanoscale devices is to achieve ultra-high aspect ratio contact (UHARC) profile without anomalous behaviors such as sidewall bowing, and twisting profile. To achieve this goal, the fluorocarbon plasmas with major advantage of the sidewall passivation have been used commonly with numerous additives to obtain the ideal etch profiles. However, they still suffer from formidable challenges such as tight limits of sidewall bowing and controlling the randomly distorted features in nanoscale etching profile. Furthermore, the absence of the available plasma simulation tools has made it difficult to develop revolutionary technologies to overcome these process limitations, including novel plasma chemistries, and plasma sources. As an effort to address these issues, we performed a fluorocarbon surface kinetic modeling based on the experimental plasma diagnostic data for silicon dioxide etching process under inductively coupled C4F6/Ar/O2 plasmas. For this work, the SiO2 etch rates were investigated with bulk plasma diagnostics tools such as Langmuir probe, cutoff probe and Quadruple Mass Spectrometer (QMS). The surface chemistries of the etched samples were measured by X-ray Photoelectron Spectrometer. To measure plasma parameters, the self-cleaned RF Langmuir probe was used for polymer deposition environment on the probe tip and double-checked by the cutoff probe which was known to be a precise plasma diagnostic tool for the electron density measurement. In addition, neutral and ion fluxes from bulk plasma were monitored with appearance methods using QMS signal. Based on these experimental data, we proposed a phenomenological, and realistic two-layer surface reaction model of SiO2 etch process under the overlying polymer passivation layer, considering material balance of deposition and etching through steady-state fluorocarbon layer. The predicted surface reaction modeling results showed good agreement with the experimental data. With the above studies of plasma surface reaction, we have developed a 3D topography simulator using the multi-layer level set algorithm and new memory saving technique, which is suitable in 3D UHARC etch simulation. Ballistic transports of neutral and ion species inside feature profile was considered by deterministic and Monte Carlo methods, respectively. In case of ultra-high aspect ratio contact hole etching, it is already well-known that the huge computational burden is required for realistic consideration of these ballistic transports. To address this issue, the related computational codes were efficiently parallelized for GPU (Graphic Processing Unit) computing, so that the total computation time could be improved more than few hundred times compared to the serial version. Finally, the 3D topography simulator was integrated with ballistic transport module and etch reaction model. Realistic etch-profile simulations with consideration of the sidewall polymer passivation layer were demonstrated.

• Journal of the Korean Society of Industry Convergence
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• v.23 no.6_2
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• pp.1051-1058
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• 2020

The chemical mechanical planarization (CMP) is a process of physically and chemically polishing the semiconductor substrate. The planarization quality of a substrate can be evaluated by the within wafer non-uniformity (WIWNU). In order to improve WIWNU, it is important to manage the pad profile. In this study, a device capable of non-contact measurement of the pad thickness profile was developed. From the measured pad profile, the profile of the pad surface and the groove was extracted using the envelope function, and the pad thickness profile was derived using the difference between each profile. Thickness profiles of various CMP pads were measured using the developed PMS and envelope function. In the case of IC series pads, regardless of the pad wear amount, the envelopes closely follow the pad surface and grooves, making it easy to calculate the pad thickness profile. In the case of the H80 series pad, the pad thickness profile was easy to derive because the pad with a small wear amount did not reveal deep pores on the pad surface. However, the pad with a large wear amount make errors in the lower envelope profile, because there are pores deeper than the grooves. By removing these deep pores through filtering, the pad flatness could be clearly confirmed. Through the developed PMS and the pad thickness profile calculation method using the envelope function, the pad life, the amount of wear and the pad flatness can be easily derived and used for various pad analysis.