• 한국군사과학기술학회지
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• 제19권3호
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• pp.319-329
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• 2016

Current research trends of prediction of possible structures, synthesis and explosive characteristics of polynitrogen molecules(PNs) are reviewed. Theoretically PNs are composed only of nitrogen atoms, in which N-N bonds are either single or double bonds, and thus when these molecules decompose, release of enormous energy is accompanied. From the middle of 20th century energetic material chemists have been seeking possible structures and the methods of synthesis of these new materials. As a results, from $N_4$ to $N_{60}$ together with their ions are predicted, and experimental chemists have been trying to synthesize these materials with a few success, including the famous ${N_5}^+$ ion in 1999. Although experimental successes are very rare beyond $N_5$ until today, the author believes that renovative ideas together with sincere efforts will bring someday next generation of high energy materials such as nitrogen fullerene($N_{60}$) in reality.

• Bulletin of the Korean Chemical Society
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• 제34권11호
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• pp.3189-3190
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• 2013

• 한국진공학회지
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• 제7권s1호
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• pp.183-189
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• 1998

A new computer simulation method for film growth, the kinetic Monte Carlo simulation in combination with the results obtained from molecular dynamics simulation for the transient process induced by deposited atoms, was developed. The behavior of energetic atom in Au/Au(100) thin film deposition was investigated by the method. The atomistic mechanism of energetic atom deposition that led to the smoothness enhancement and the relationship between the role of transient process and film growth mechanism were discussed. We found that energetic atoms cannot affect the film growth mode in layer-by-layer at high temperature. However, at temperature of film growth in 3-dimensional mode and in quasi-two-dimensional mode, energetic atoms can enhance the smoothness of film surface. The enhancement of smoothness is caused by the transient mobility of energetic atoms and the suppression for the formation of 3-dimensional islands.

• 한국군사과학기술학회지
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• 제9권3호
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• pp.77-87
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• 2006

Micro- or nano-size particles are required to improve the combustion efficiency and stability in the case of solid explosives and propellants. The micro-structural properties of an energetic material strongly influence the combustion and explosion behavior. However, the traditional size reduction techniques, including milling, are not suitable for production of ultra-fine size particles. As an alternative to the traditional techniques, various re-crystallization processes based on supercritical fluids have recently been proposed. Supercritical fluids are fluids at temperatures and pressures above their critical point. In principle, they do not give problems of solvent contamination as they are completely released from the solute when the decompression occurs. Rapid Expansion Supercritical Solutions(RESS) and Supercritical Anti-Solvent Process(GAS/SAS) are representatives of a nano-size particle formation process of energetic materials using supercritical fluids. In this work, various fine particle formation processes using supercritical fluids are discussed and the results are presented.

• 한국추진공학회지
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• 제17권6호
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• pp.97-104
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• 2013

Guanylurea-dinitramide(GUDN)는 낮은 감도와 좋은 성능을 가진 에너지 물질로서 추진제 및 둔감 탄약에 사용할 수 있다. 고에너지 고밀도 화약인 GUDN의 효과적인 합성과 특성분석을 이화학적 분석 및 원소분석을 통하여 수행하였다. Gaussian 09 프로그램을 사용하여 생성열을 계산하였다. 화약의 안전한 취급을 위해서 충격 및 마찰 감도를 BAM 방법으로 측정하였다.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2007년도 제28회 춘계학술대회논문집
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• pp.238-241
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• 2007

We present an innovative method of multi-physics application involving energetic materials. Energetic materials are related to reacting flows in extreme environments such as fires and explosions. They typically involve high pressure, hish temperature, strong non-linear shock waves, and high strain rate deformation of metals. We use an Eulerian methodology to address these problems. Our approach is naturally free from large deformation of materials that makes it suitable for high strain-rate multi-material interaction problems. Furthermore we eliminate the possible interface smearing by using the level sets. We have devised a new level set based tracking framework that can elegantly handle large gradients typically found in reacting gases and metals. We show several work-in-progress applications of our algorithm including the Taylor impact test, explosive venting and additional confined explosion problems of modem interest.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2008년 영문 학술대회
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• pp.311-319
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• 2008

We present an innovative method of multi physics application involving energetic materials. Energetic materials are related to reacting flows in extreme environments such as fires and explosions. They typically involve high pressure, high temperature, strong shock waves and high strain rate deformation of metals. We use an Eulerian methodology to address these problems. Our approach is naturally free from large deformation of materials that make it suitable for high strain rate multi-material interacting problems. Furthermore we eliminate the possible interface smearing by using the level sets. We heave devised a new level set based tracking framework that can elegantly handle large gradients typically found in reacting gases and metals. We show several work-in-progress application of our integrated framework.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2008년도 제31회 추계학술대회논문집
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• pp.60-63
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• 2008

고에너지 물질의 상변화는 연소과정에서 발생하는 필연적으로 중요한 요소이다. 연소과정에서 발생한 고온, 고압의 가스는 주변의 물질과 상호작용을 통해 복잡한 현상을 일으키게 된다. 본 연구에서는 고에너지 물질의 상변화를 해석을 하기 위한 기초 연구로 상변화 변수를 이용하여, 증기 폭발을 해석하였다.

• Bulletin of the Korean Chemical Society
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• 제33권2호
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• pp.564-570
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• 2012

s-Tetrazine is the essential candidate of many energetic compounds due to its high nitrogen content, enthalpy of formation and thermal stability. The present study explores the design of s-tetrazine derivatives in which different $-NO_2$, $-NH_2$ and $-N_3$ substituted azoles are attached to the tetrazine ring via C-N linkage. The density functional theory (DFT) is used to predict the geometries, heats of formation (HOFs) and other energetic properties. The predicted results show that azide group plays a very important role in increasing HOF values of the s-tetrazine derivatives. The densities for designed molecules were predicted by using the crystal packing calculations. The introduction of $-NO_2$ group improves the density as compared to $-N_3$, and $-NH_2$ groups and hence the detonation performance. Bond dissociation energy analysis and insensitivity correlations revealed that amino derivatives are better candidates considering insensitivity and stability.

• 한국추진공학회지
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• 제20권2호
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• pp.18-23
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• 2016

유기 분자의 자기조립 다분자막은 기질의 표면에서 전자기적인 상호작용을 통해 자발적으로 형성된다. 본 연구에서는 이 기술을 응용하여 고에너지물질의 안전성과 취급용이성이 향상됨을 입증하였다. 최근 다양한 연구에서 고에너지물질 결정 내부의 결함은 물질의 안전성을 저하시키는 요인이므로, 결정 입자의 크기를 감소시키는 연구가 중요시되고 있다. 이에 따라, 결정화 방법을 통해 제조된 나노 수준의 고에너지물질을 사용하였으며, 자기조립 다분자막 기술을 응용하여 물질의 안전성을 향상시켰다. 입도/표면전하/마찰감도/정전기 전하 등을 측정하여 표면개질 여부를 확인하였다.