• Nuclear Engineering and Technology
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• 제31권2호
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• pp.151-156
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• 1999

Under the heavy irradiation of crystalline materials when the production and the recombination of interstitials and vacancies are included, the diffusion equations become nonlinear. An effort has been made to arrange an appropriate transformation of these nonlinear differential equations to more solvable Poisson's equations, finally analytical solutions for simultaneously calculating the concentrations of interstitials and vacancies in the angular dependent Cottrell's potential of the edge dislocation have been derived from the well-known Green's theorem and perturbation theory.

• 한국원자력학회:학술대회논문집
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• 한국원자력학회 1998년도 춘계학술발표회논문집(2)
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• pp.160-165
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• 1998

Under the heavy irradiation, when the production and the recombination of interstitials and vacancies are included, the diffusion equations become nonlinear. An effort has been made to arrange an appropriated transformation of these nonlinear differential equations to soluble Poisson's equations, so that analytical solutions for simultaneously calculating the concentrations of interstitials and vacancies in the angular dependent Cottrell's potential of the edge dislocation have been derived from the well-known Green's theorem and perturbation theory.

• 한국결정성장학회지
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• 제9권4호
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• pp.402-416
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• 1999

The thermal distributions near the growth interface of 150nm CZ crystals were measured by three thermocouples installed at the center, middle (half radius) and edge (10nm from surface) of the crystals. The results show that larger growth rates produced smaller thermal gradients. This contradicts the widely used heat flux balance equation. Using this fact, it is confirmed in CZ crystals that the type of point defects created is determined by the value of the thermal gradient(G) near the interface during growth, as already reported for FZ crystals. Although depending on the growth systems the effective length of the thermal gradient for defect generation are varied, we defined the effective length as 10n,\m from th interface in this experiment. If the G is roughly smaller than 20C/cm, vacancy rich CZ crystals are produced. If G is larger than 25C/cm, the species of point defects changes dramatically from vacancies to interstitials. The experimental results after detaching FZ and CZ crystals from the melt show that growth interfaces are filled with vacancies. We propose that large G produces shrunk lattice spacing and in order to relax such lattice excess interstitials are necessary. Such interstitials recombine with vacancies which were generated at the growth interface, nest occupy interstitial sites and residuals aggregate themselves to make stacking faults and dislocation loops during cooling. The shape of the growth interface is also determined by te distributions of G across the interface. That is, the small G and the large G in the center induce concave and convex interfaces to the melts, respectively.

• Nuclear Engineering and Technology
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• 제56권4호
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• pp.1480-1489
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• 2024

Displacement cascade behaviors of Ti-6Al-4V alloys are investigated using molecular dynamics (MD) simulation. The embedded atom method (EAM) potential including Ti, Al and V elements is modified by adding Ziegler-Biersack-Littmark (ZBL) potential to describe the short-range interaction among different atoms. The time evolution of displacement cascades at the atomic scale is quantitatively evaluated with the energy of primary knock-on atom (PKA) ranging from 0.5 keV to 15 keV, and that for pure Ti is also computed as a comparison. The effects of temperature and incident direction of PKA are studied in detail. The results show that the temperature reduces the number of surviving Frenkel pairs (FPs), and the incident direction of PKA shows little correlation with them. Furthermore, the increasing temperature promotes the point defects to form clusters but reduces the number of defects due to the accelerated recombination of vacancies and interstitial atoms at relatively high temperature. The cluster fractions of interstitials and vacancies both increase with the PKA energy, whereas the increase of interstitial cluster is slightly larger due to their higher mobility. Compared to pure Ti, the presence of Al and V is beneficial to the formation of interstitial clusters and indirectly hinders the production of vacancy clusters.

• 한국결정성장학회:학술대회논문집
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• 한국결정성장학회 1999년도 PROCEEDINGS OF 99 INTERNATIONAL CONFERENCE OF THE KACG AND 6TH KOREA·JAPAN EMG SYMPOSIUM (ELECTRONIC MATERIALS GROWTH SYMPOSIUM), HANYANG UNIVERSITY, SEOUL, 06월 09일 JUNE 1999
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• pp.187-207
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• 1999

The thermal distributions near the growth interface of 150mm CZ crystals were measured by three thermocouples installed at the center, middle (half radius) and edge (10m from surface) of the crystals. The results show that larger growth rates produced smaller thermal gradients. This contradicts the widely used heat flux balance equation. Using this fact, it si confirmed in CZ crystals that the type of point defects created is determined by the value of the thermal gradient (G) near the interface during growth, as already reported for FZ crystals. Although depending on the growth systems the effective lengths of the thermal gradient for defect generation are varied, were defined the effective length as 10mm from the interface in this experiment. If the G is roughly smaller than 20C/cm, vacancy rich CZ crystals are produced. If G is larger than 25C/cm, the species of point defects changes dramatically from vacancies to interstitial. The experimental results which FZ and CZ crystals are detached from the melt show that growth interfaces are filled with vacancy. We propose that large G produces shrunk lattice spacing and in order to relax such lattice excess interstitial are necessary. Such interstitial recombine with vacancies which were generated at the growth interface, next occupy interstitial sites and residuals aggregate themselves to make stacking faults and dislocation loops during cooling. The shape of the growth interface is also determined by the distributions of G across the interface. That is, the small G and the large G in the center induce concave and convex interfaces to the melt, respectively.

• 대한전자공학회:학술대회논문집
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• 대한전자공학회 2003년도 하계종합학술대회 논문집 II
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• pp.731-734
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• 2003

An atomistic process modeling, Kinetic Monte Carlo simulation, has the advantage of being both conceptually simple and extremely powerful. Instead of diffusion equations, it is based on the definitions of the interactions between individual atoms and defects. Those interactions can be derived either directly from molecular dynamics, first principles calculations, or from experiment. In this paper, as a simple illustration of the kinetic Monte Carlo we simulate defects (self-interstitials and vacancies) diffusion after ion implantation in Si crystalline.

• 한국결정성장학회지
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• 제13권1호
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• pp.31-35
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• 2003

PL data에 의해 다이아몬드가 HPHT(고온고압)으로 처리하는 과정을 거치면서 격자 내에 불순물 원자뿐만 아니라 공공과 침입형 원자의 움직임과 감소, 소멸, 생성 등으로 일부 격자가 재배열됨이 드러났다. 특히, PL spectrum은 Type IIa 다이아몬드가 가지는 매우 작은 양의 질소 불순물도 명확히 나타났으며, 이로 인해 상당한 수의 점결함이 결정 격자 내에 분산되어 있음을 알 수 있었다.

• Nuclear Engineering and Technology
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• 제23권3호
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• pp.321-327
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• 1991

가돌리니아 첨가 우라니아에 대한 점결함 모델이 순수 우라니아의 점결함구조를 바탕으로 하여 개발되었다. Gd 도펀트는 금속이온자리에 -1 유효전하를 지니고, 주위의 산소침입형을 밀어내어 산소침입형의 자리를 감소시킨다. 산소 공공 농도가 증가하면 Gd 도펀트는 산소공공과 집합체를 형성하게 된다. 이 점결함 모델은 Gd 도펀트의 양의 증가에 따른 산소포텐샬의 증가와 산소 대금추비율이 2일때 급속한 산소포텐샬 변화를 설명하여, 현존하는 실험값과 좋은 일치를 보였다.

• 대한전자공학회논문지SD
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• 제47권7호
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• pp.8-16
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• 2010

본 연구에서는 산소분압조건이 radio 주파수(RF) 마그네트론 스퍼터링으로 증착된 Al이 도핑된 ZnO (AZO) 박막의 성질에 미치는 영향을 조사하였다. Hall, photoluminescence (PL), X-ray photoelectron spectroscopy (XPS) 측정들은 0.9의 산소분압으로 증착된 AZO 박막의 경우 p형 전도도를 나타내었지만 반면에 0 - 0.6 범위의 산소분압으로 증착된 AZO 박막의 경우는 n형 전도도가 관찰 되었다는 것을 보여주고 있다. 또한 PL 및 XPS 결과는 zinc vacancies 와 oxygen interstitials등과 같은 억셉터 같은 결함들이 0.9의 산소분압으로 증착된 AZO 박막 내에서 증가해서 그 결과 p형 전도도의 AZO 박막을 형성하였다는 것을 알려주고 있다. Hall 결과는 0 - 0.6 범위의 산소분압으로 증착된 AZO 박막을 투명 박막 트랜지스터 응용에서 전극층으로 사용할 수 있음을 가리키고 있다. X-ray diffraction 해석으로부터 더 큰 산소분압으로 증착 된 AZO 박막 들이 더 큰 tensile 스트레스 뿐 만 아니라 더 작은 grain 크기를 가지면서 더 악화 된 결정질 특성을 가진다는 사실을 확인 하였는데 이는 증착 도중에 더 많은 산소원자들이 주입되는 것과 관련이 있음을 알 수 있었다. atomic force 마이크로스코프의 연구에서 산소분압을 사용하여 증착된 박막에서 더 완만한 표면 거칠기를 관찰하였는데 산소원자들의 주입이 더 큰 비저항을 초래하였다는 것을 Hall 측정으로도 확인할 수 있었다.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2010년도 하계학술대회 논문집
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• pp.143-143
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• 2010

In this study, we demonstrate that ZnO deposited onto $SiO_2$ substrates by magnetron sputtering produces p-type ZnO at higher $O_2$ pressure and n-type ZnO at lower $O_2$ pressure. We also report the effect of hydrogen peroxide ($H_2O_2$) on the stability of undoped ZnO thin films. The films were immersed in 30% $H_2O_2$ for 1 min at $30^{\circ}C$ and annealed in $O_2$at $450^{\circ}C$. The carrier concentration, mobility. and conductivity were measured by a Hall effect measurement system. The Hall measurement results for ZnO films untreated with $H_2O_2$ but annealed in $O_2$ indicate that oxygen fraction greater than ~0.5 produces undoped p-type ZnO films, whereas oxygen fraction less than ~0.5 produces undoped n-type ZnO films. This is attributed to the fact that the oxygen vacancies ($V_o$) decrease and the oxygen interstitials ($O_i$) or zinc vacancies ($V_{Zn}$) increase with increasing oxygen atoms incorporated into ZnO films during deposition and $O_2$ post-annealing.