• Title/Summary/Keyword: point defects

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Molecular dynamics simulation of primary irradiation damage in Ti-6Al-4V alloys

  • Tengwu He;Xipeng Li;Yuming Qi;Min Zhao;Miaolin Feng
    • Nuclear Engineering and Technology
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    • v.56 no.4
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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.

Oxygen Diffusion and Point Defects in Single Crystal Rutile (Rutile 단결정에서 산소의 확산과 점결합)

  • 김명호;박주석;변재동
    • Journal of the Korean Ceramic Society
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    • v.28 no.12
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    • pp.989-995
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    • 1991
  • By means of the secondary ion mass spectrometer, the tracer diffusion of oxygen in rutile single crystal was measured as function of temperature and oxygen partial pressure. The tracer diffusivity was determined from the depth profile of 18O. The Po2 dependence of D suggests that the dominant defects in TiO2-y are oxygen vacancies (V{{{{ { ‥} atop { o} }}) and interstitial titanium ions (Ti{{{{ {‥‥} atop {i} }}). The doubly ionized oxygen vacancies are prominent at low temperature and Po2. However, the tetravalent interstitial titanium ions predominate at teperature above 120$0^{\circ}C$.

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Growth rate and growth steps of 6H-SiC single crystals in the sublimation process

  • Kang, Seung-Min;Lim, Chang-Sung;Auh, Keun-Ho
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.11 no.4
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    • pp.166-169
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    • 2001
  • 6H-SiC bulk crystals were grown by sublimation method with different conditions in term of gaseous pressures ad source temperatures. In order to optimize the growth rate, pressure at growth period and source and substrate temperatures were investigated as experimental variables. the results were compared with each other and finally the optimum growth conditions were discussed. Furthermore the relation of the growth steps and defects formation was evaluates in the point of reducing the micropipes. Subsequently the growth steps and defects formation was evaluated in the point of reducing the micropipes. Subsequently the growth steps were observed leading to the lower step height with the lower growth rate.

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Anodizing science of valve metals

  • Moon, Sungmo
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2017.05a
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    • pp.96.1-96.1
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    • 2017
  • This presentation introduces anodizing science of typical valve metals of Al, Mg and Ti, based on the ionic transport through the andic oxide films in various electrolyte compositions. Depending on the electrolyte composition, metal ions and anions can migrate through the andic oxide film without its dielectric breakdown when point defects are present within the anodic oxide films under high applied electric field. On the other hand, if anodic oxide films are broken by local joule heating due to ionic migration, metal ions and anions can migrate through the broken sites and meet together to form new anodic films, known as plasma electrolytic oxidation (PEO) treatment. In this presentation, basics of conventional anodizing and PEO methods are introduced in detail, based on the ionic migration and movement mechanism through anodic oxide films by point defects and by local dielectric breakdown of anodic oxide films.

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Reflow Profiling The Benefits of Implementing a Ramp-to-Spike Profile

  • AIM
    • 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.

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Shape-Simplification Analysis Model for Fatigue Life Prediction of Casting Products Considering Internal Defects (내부 결함을 고려한 주조 제품의 피로수명 예측을 위한 결함 형상단순화 해석모델)

  • Kwak, Si-Young;Kim, Hak-Ku
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.35 no.10
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    • pp.1243-1248
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    • 2011
  • Internal defects are a major concern in the casting process because they have a significant influence on the strength and fatigue life of casting products. In general, they cause stress concentration and can be a starting point of cracks. Therefore, it is important to understand the effects of internal defects on mechanical properties such as fatigue life. In this study, fatigue experiments on tensile specimens with internal defects were performed. The internal defects in the casting product were scanned by an industrial CT scanner, and its shape was simplified by ellipsoidal primitives for the structural and fatigue analysis. The analysis results were compared with experimental results for casting products with internal defects. It was demonstrated that it is possible to consider internal defects of casting products in stress and fatigue analysis. The proposed method provides a tool for the prediction of the fatigue life of casting products and the investigation of the effects of internal defects on mechanical performance.

Study on point defect for $ZnIn_2S_4$ epilayers grown by Hot Wall Epitaxy (Hot Wall Epitaxy (HWE)법에 의해 성장된 $ZnIn_2S_4$ 에피레이어의 점결함 연구)

  • Hong, Kwang-Joon
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2008.11a
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    • pp.141-142
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    • 2008
  • Single crystal $ZnIn_2S_4$ layers were grown on thoroughly etched semi-insulating GaAs(100) substrate at $450^{\circ}C$ with hot wall epitaxy (HWE) system by evaporating $ZnIn_2S_4$ source at $610^{\circ}C$. The temperature dependence of the energy band gap of the $ZnIn_2S_4$ obtained from the absorption spectra was well described by the Varshni's relation, $E_g$(T) = 2.9514eV - ($7.24\times10^{-4}$ eV/K)$T^2$/(T + 489 K). After the as-grown $ZnIn_2S_4$ single crystal thin films was annealed in Zn-, S-, and In-atmospheres, the origin of point defects of $ZnIn_2S_4$ single crystal thin films has been investigated by the photoluminescence(PL) at 10 K. The native defects of $V_{Zn}$, $V_s$, $Zn_{int}$, and $S_{int}$, obtained by PL measurements were classified as a donors or acceptors type. And we concluded that the heat-treatment in the S-atmosphere converted $ZnIn_2S_4$ single crystal thin films to an optical p-type. Also, we confirmed that In in $ZnIn_2S_4$/GaAs did not form the native defects because In in $ZnIn_2S_4$ single crystal thin films existed in the form of stable bonds.

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