• Title/Summary/Keyword: Atomic strain

Search Result 251, Processing Time 0.025 seconds

The First-principles View of Nanometal Alloy Catalysts

  • Ham, Hyung Chul;Hwang, Gyeong S.
    • Proceedings of the Korean Vacuum Society Conference
    • /
    • 2013.02a
    • /
    • pp.129-129
    • /
    • 2013
  • Nanometal alloy catalysts have been found to significantly increase catalytic efficiency, compared to the monometallic counterparts. This enhancement can be attributed to various alloying effects: i) the existence of uniquemixed-metal surface sites [the so called ensemble (geometric) effect]; ii) electronic state changes due to metal-metal interactions [the so called ligand (electronic) effect]; and iii) strain caused by lattice mismatch between the alloy components [the socalled strain effect]. In addition, the presence of low-coordination surface atoms and preferential exposure of specific facets [(111), (100), (110)] in association with the size and shape of nanoparticle catalysts [the so called shape-size-facet effect] can be another important factor for modifying the catalytic activity. However, mechanisms underlying the alloying effect still remain unclear owing to the difficulty of direct characterization. Computational approaches, particularly the prediction using first-principles density functional theory (DFT), can be a powerful and flexible alternative for unraveling the role of alloying effects in catalysis since those can give us quantitative insights into the catalytic systems. In this talk, I will present the underlying principles (such as atomic arrangement, facet, local strain, ligand interaction, and effective atomic coordination number at the surface) that govern catalytic reactions occurring on Pd-based alloys using the first-principles calculations. This work highlights the importance of knowing how to properly tailor the surface reactivity of alloy catalysts for achieving high catalytic performance.

  • PDF

Residual Stress in U-Bending Deformations and Expansion Joints of Heat Exchanger Tubes (전열관의 굽힘 및 확관접합 잔류응력)

  • Jang, Jin-Seong;Bae, Gang-Guk;Kim, U-Gon;Kim, Seon-Jae;Guk, Il-Hyeon;Kim, Seong-Cheong
    • Transactions of the Korean Society of Mechanical Engineers A
    • /
    • v.24 no.2 s.173
    • /
    • pp.279-289
    • /
    • 2000
  • Residual stress induced in U-bending and tube-to-tubesheet joint processes of PWR's row-1 heat exchanger tube was measured by X-ray method and Hole-Drilling Method(HDM). Compressive residual stresses(-) at the extrados surface were induced in U-bending, and its maximum value reached -319 MPa in axial direction at the position of $\psi$ = $0^{\circ}$. Tensile residual stresses(+) of $\sigma_{zz}$ = 45 MPa and $\sigma_{\theta\theta}$ = 25 MPa were introduced in the intrados surface at the position of $\psi$ = $0^{\circ}$. Maximum tensile residual stress of 170 MPa was measured at the flank side at the position of $\psi$ = $90^{\circ}$, i.e., at apex region. It was observed that higher stress gradient was generated at the irregular transition regions (ITR). The trend of residual stress induced by U bending process of the tubes was found to be related with the change of ovality. The residual stress induced by the explosive joint method was found to be lower than that by the mechanical roll method. The gradient of residual stress along the expanded tube was highest at the transition region (TR), and the residual stress in circumferential direction was found to be higher than the residual stress in axial direction.

Evaluation of Fatigue Life on Alloy 617 Base Metal and Alloy 617/Alloy 617 Weld Joints under Low Cycle Fatigue Loading (저사이클피로 하중하의 Alloy 617 모재와 용접부재에 대한 피로 수명 평가)

  • Dewa, Rando Tungga;Kim, Seon-Jin;Kim, Woo-Gon;Kim, Min-Hwan
    • Journal of Power System Engineering
    • /
    • v.18 no.5
    • /
    • pp.122-128
    • /
    • 2014
  • Generally, the mechanical components and structures are joined by many welding techniques, and therefore the welded joints are inevitable in the construction of structures. The Alloy 617 was initially developed for high temperature applications above $800^{\circ}C$. It is often considered for use in aircraft and gas turbines, chemical manufacturing components, and power generation structures. Especially, the Alloy 617 is the primary candidate for construction of intermediate heat exchanger (IHX) on a very high temperature reactor (VHTR) system. In the present paper, the low cycle fatigue (LCF) life of Alloy 617 base metal (BM) and the gas tungsten arc welded (GTAWed) weld joints (WJ) are evaluated by using the previous experimental results under strain controlled LCF tests. The LCF tests have been performed at room temperature with total strain ranges of 0.6, 0.9, 1.2 and 1.5%. The LCF lives for the BM and WJ have been evaluated from the Coffin-Manson and strain energy based life methods. For both the BM and WJ, the LCF lives predicted by both Coffin-Manson and strain energy based life methods was found to well coincide with the experimental data.

Geometric variations and surface residual stresses in U-bending processes of an UNS N06690 row-1 heat exchanger tubes (UNS N06690 제1열 시제전열관의 U-굽힘성형에서 형상변화와 표면잔류응력)

  • Kim, Woo-Gon;Jang, Jin-Sung;Kuk, Il-Hiun;Joo, Jin-Won;Kim, Sung-Chung
    • Transactions of the Korean Society of Mechanical Engineers A
    • /
    • v.22 no.1
    • /
    • pp.238-246
    • /
    • 1998
  • Surface residual stresses as well as wall thickness and ovality changes after U-bending process on UNS N06690 row-1 heat exchanger tubes, were estimated. Surface residual stresses were measured by Hole Drilling Method(HDM), calculating the stresses from relieved strains of 3 rosette strain gages. After bending of the tubes, dimensional tolerances for wall thickness and ovality were satisfied with ASTM requirements. Residual stresses at the extrados were introduced with compressive stress(-) by bending operations, and its maximum value reached-319 MPa in axial direction at ${\phi}=0^{\circ}$ in position. Tensile residual stresses(+) of ${\sigma}_zz=45$ MPa,${\sigma}_zz=25$ MPa were introduced in the intrados surface at position of ${\phi}=0^{\circ}$ Maximum tensile residual stress of 170 MPa was detected on the flank side at position of ,${\phi}=95^{\circ}$i.e., at apex region. It appeared that higher stress gradients were generated at the irregular transition regions. In the trend of residual stress changes with U-bend position, the extrados is related with the changes of ovality and the intrados is related with the changes of wall thickness.

Impact of Anisotropy in Creep and Irradiation Growth on the KOFA Zircaloy-4 Cladding tube Deformation Behavior (크립 및 조사성장 이방성이 KOFA Zircaloy-4 피복관의 변형거동에 미치는 영향)

  • Kim, Gi-Hang;Lee, Chan-Bok;Kim, Gyu-Tae
    • Korean Journal of Materials Research
    • /
    • v.4 no.4
    • /
    • pp.445-452
    • /
    • 1994
  • Three-axial deformation behavior of the Zircaloy cladding tube under the irradiation condition of the fuel in pressurized water reactor can be analyzed by the anisotropy in the creep and the irra- diation growth, which depends on the texture parameter. A methodology to evaluate the impact of the anisotropic creep and irradiation growth on the strain in each axial direction of the cladding tube has been proposed. Based on the measured strains after irradiation and predicted ones with the help of a fuel performance analysis code, it is found that a tangential strain of the cladding tube is caused mainly by the creep, whereas a axial strain of the cladding is caused mainly by the irradiation growth but with a considerable contribution of the creep at low irradiation.

  • PDF

Residual Stress Measurements at HANARO Reactor (하나로 원자로를 이용한 잔류 응력의 측정)

  • Moon, Myung-Kook;Em, Vyacheslav T.;Shin, Eun-Joo;Lee, Chang-Hee;Kim, Huhn-Jun
    • Proceedings of the KSME Conference
    • /
    • 2000.11a
    • /
    • pp.298-303
    • /
    • 2000
  • Principles of residual stress measurements by neutron diffraction and the residual stress instrument installed at 30MWt HANARO reactor in KAERI are considered. In-depth residual stress distribution was measured in aluminum VAMAS round robin sample and welded stainless steel plate, which showed high ability of the instrument for the stress measurements in components.

  • PDF

Superfine Flip-Chip Interconnections in 20-$\mu\textrm{m}$-pitch

  • Bonkohara, Manabu
    • Proceedings of the International Microelectronics And Packaging Society Conference
    • /
    • 2002.09a
    • /
    • pp.183-199
    • /
    • 2002
  • Reliability.The reliability strongly depended on the CTE of underfill resin..The fractured portion was identical with the maximum plastic equivalent strain..1 % or less value of the maximum plastic equivalent strain certified more than 1000 cycle of TCT life. UFB.Bonding accuracy was confirmed within2$2{\mu}{\textrm}{m}$..The fundamental bondability of UFB was confirmed with no damage around aluminum pads. Some dislocations and vacancies were observed at the interface, however, the atomic level bonding was confirmed. CBB.Dry process was applied to UBM removal.

  • PDF

Effects of elastic strain on the agglomeration of silicide films for electrical contacts in integrated circuit applications

  • Choy, J.H.
    • Journal of the Korean Crystal Growth and Crystal Technology
    • /
    • v.14 no.3
    • /
    • pp.95-100
    • /
    • 2004
  • This paper reports a potential problem in the electrical performance of the silicide film to silicon contacts with respect to the scaling trend in integrated circuit (IC) devices. The effects of elastic strain on the agglomeration of the coherent silicide film embedded in an infinite matrix are studied employing continuum linear elasticity and finite-difference numerical method. The interface atomic diffusion is taken to be the dominant transport mechanism where both capillarity and elastic strain are considered for the driving forces. Under plane strain condition with elastically homogeneous and anisotropic system with cubic symmetry, the dilatational misfit and the tetragonal misfit in the direction parallel to the film thickness are considered. The numerical results on the shape evolution agree with the known trend that the equilibrium aspect ratio of the film increases with the elastic strain intensity. When the elastic strain intensity is taken to be only a function of the film size, the flat film morphology with a large aspect ratio becomes increasingly unstable since the equilibrium aspect ratio decreases, as the film scales. The shape evolution results in a large decrease in contact to silicon area, and may deteriorate the electrical performances.

The Effect of Compression on Strain Ageing of Ferrovac E Iron

  • Kim, Young-Won;Lee, Byoung-Whie;Hahn, Bong-Hee
    • Nuclear Engineering and Technology
    • /
    • v.5 no.1
    • /
    • pp.55-64
    • /
    • 1973
  • The effect of compression in the strain ageing of Ferrovac E iron has been examined with compressive testing following the prestrain in compression. Both prestraining and testing were preformed at room temperature with the strain rate of 1.9$\times$10$^{-4}$ se $c^{-1}$ and that of 0.95$\times$10$^{-4}$ se $c^{-1}$ , respectively. Ageing was carried out at several temperatures below 8$0^{\circ}C$ using thermostatically controlled oil baths with a temperature control within$\pm$1$^{\circ}C$. It was found that the rate of strain ageing obeyed the $t^{2}$3/ law up to about five hours ageing at 6$0^{\circ}C$. The rate was slower than theses reported in case of the tensile prestrained iron. Activation energy for strain ageing has been estimated as 21.5 Kcal/mole at tile first stage of the aging process. At the second stage of ageing where the $t^{2}$3/ law is still valid, however, the activation energy was somewhat decreased. The activation energy at the first stage of ageing was about 10% larger than published results on the tensile-prestraining. This difference between the activation energies is explained in terms of the residual stress field in lattice.

  • PDF