• Structural Engineering and Mechanics
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• v.59 no.3
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• pp.475-502
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• 2016

Nanobeams are widely used as a structural element for nanodevices and nanomachines. The development of nano-sized machines depends on proper understanding of mechanical behavior of these nano-sized beam elements. Small length scales such as lattice spacing between atoms, surface properties, grain size etc. are need to be considered when applying any classical continuum model. In this study, Eringen's nonlocal elasticity theory is incorporated into classical beam model considering the effects of axial extension and the shear deformation to capture unique static behavior of the nanobeams under continuum mechanics theory. The governing differential equations are obtained for curved beams and solved exactly by using the initial value method. Circular uniform beam with concentrated loads are considered. The displacements, slopes and the stress resultants are obtained analytically. A detailed parametric study is conducted to examine the effect of the nonlocal parameter, mechanical loadings, opening angle, boundary conditions, and slenderness ratio on the static behavior of the nanobeam.

• Korean Journal of Computational Design and Engineering
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• v.2 no.2
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• pp.71-76
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• 1997

The deformations of polycrystalline materials are modelled by linking a constitutive equation for the crystallographic slip of a single crystal to the macroscopic behavior of the aggregate. In this study, anisotropic elasticity (lattice stretching) of a cubic crystal is incoporated into the anisotropic plasticity from crystallographic slip. The constitutive description for the aggregate, derived from a crystal plasticity theory, is used to formulate a Consistent Penalty Finite Element Method for the anisotropic elasto-viscoplastic deformation of polycrystalline materials. As an application, a plane-strain forging process is simulated and the effects of the initial textures on the deformation behavior of the workpiece are examined.

• Journal of the Korean Vacuum Society
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• v.12 no.S1
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• pp.60-62
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• 2003

In this study we report the results of ab initio first-principles calculations to investigate the possibility of metamagnetic behavior in Fe$_3$Al alloy. We used the WIEN2k package of full-potential linearized-augmented- plane-wave method within the local-spin-density approximation to the density-functional theory. The exchange-correlation functional is the generalized-gradient approximation of Perdew-Burke-Ernzerhof. The theoretical lattice constant, which is about 0.5% smaller than the experimental one, is obtained by minimizing the total energy. If the volume decreases about 9 % from the equilibrium, the total magnetic moment decreases abruptly from 4.6 $\mu_{B}$/f.u. to 4.0 $\mu_{B}$/f.u. Since this change is considerably large (∼14%), it is possible to measure by a simple high-pressure experiment at about 180 kbar.

• The Korean Journal of Ceramics
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• v.6 no.4
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• pp.385-389
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• 2000

Residual stresses in epitaxial films were measured by X-ray diffraction method. Lattice strains of the (hkl) planes measured along particular Ψ-angles were converted to the in-plane stress according to the equation of stress-strain tensor conversion. Residual tensile stresses were observed in epitaxial PbTiO$_3$ films deposited on (100) SrTiO$_3$ substrate. Tensile stresses approximately 0.9 GPa were measured in Pb-rich films, while it increased to approximately 2.0 GPa with the decreasing of Pb content in the case of Pb-poor films, which ascribed to the formation of lead and oxygen vacancies (expressed as x in Pb$_1-x$TiO$_3-x$).

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.142-142
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• 2000

We performed a total energy calculation of clean alumunum surfaces of three low indices based on a density functional theory with a local density approximation, using the Ceperly-Alder exhange correlation parametrized by Perdew and Zunger. Pseudopotentials were generated for Al of which the plane wave cut-off was 15Ry. We used Gaussian broadening of a Fermi level to accelerate the convergence of our calculation with the Gaussian energy smearing parameter of 0.005Ry. First, we determine the lattice constant of the aluminum of an face-centered-cubic structure to be 3.96 which is comparable to the experimental data of 4.05 . The cohesive energy of 4.20eV/atom and the bulk modulus of 0.775$\times$1012dyne/cm2 are also comparable to the experimental values of 3.39eV/atom and 0.772$\times$1012dyne/cm2, respectively. Then we investigated the surface relaxation of (100), (110) and (111) surfaces using a 9-layer slab separated by 6-layer thick vacuum. The results are consistent with the existing experimental results.

• 한국가시화정보학회:학술대회논문집
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• 2006.12a
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• pp.102-108
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• 2006

The three-dimensional flows in the Weis-Fogh mechanism are studied by flow visualization and numerical simulation by the discrete vortex method. In this mechanism, two wings open, touching their trailing edges (fling), and rotate in opposite directions in the horizontal plane. The structure of the vortex systems shed from the wings is very complicated and their effects on the forces on the wings have not yet been clarified. The discrete vortex method, especially the vortex stick method, is employed to investigate the vortex structure in the wake of the two wings. The wings are represented by lattice vortices, and the shed vortices are expressed by discrete three-dimensional vortex sticks. The vortex distributions and the velocity field are calculated. The pressure is estimated by the Bernoulli equation, and the lift on the wing are also obtained.

• Bulletin of the Korean Chemical Society
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• v.15 no.11
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• pp.949-953
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• 1994

In oxides characterized by the $K_2NiF_4-type$ structure, the low-spin${\to}$high-spin transition of trivalent cobalt ion was studied in function of the nature of competing bonds in the perovskite-plane and along the c-axis. Using Slichter and Drickamer's model the calculated values of parameters characterizing such a transition are correlated with the covalency of competing bonds along the c-axis of the $K_2NiF_4$-structure and the local structural distortion of the $(CoO_6)$ octahedron.

• Journal of Magnetics
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• v.12 no.2
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• pp.68-71
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• 2007

Even a pure bulk Fe has a complicated magnetic phase and its magnetism is still needed to be clarified. In this study we investigated the magnetism of bcc and fcc bulk Fe with total energy calculations as functions of atomic volume. The full-potential linearized augmented plane wave method was adopted within a generalized gradient approximation. The ground state of bulk Fe is confirmed to be of ferromagnetic (FM) bcc. For fcc structured Fe an antiferromagnetic (AFM) state is more stable compared to FM states which exist as low spin and high spin states. The stable AFM states were found to accompany a tetragonal distortion, while the FM states remained in a cubic symmetry. At an expanded lattice constant a high spin FM state was calculated to be able to be stabilized with significant enhanced magnetic moment compared to the value of the ground state, bcc FM.

• Bulletin of the Korean Chemical Society
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• v.17 no.2
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• pp.192-198
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• 1996

We present a theoretical formulation of diffusion process on solid surface based on multidimensional transition state theory (TST). Surface diffusion of single adatom results from hopping processes on corrugated potential surface and is affected by surface vibrations of surface atoms. The rate of rare events such as hopping between lattice sites can be calculated by transition state theory. In order to include the interactions of the adatom with surface vibrations, it is assumed that the coordinates of adatom are coupled to the bath of harmonic oscillators whose frequencies are those of surface phonon modes. When nearest neighbor surface atoms are considered, we can construct Hamiltonians which contain terms for interactions of adatom with surface vibrations for the well minimum and the saddle point configurations, respectively. The escape rate constants, thus the surface diffusion parameters, are obtained by normal mode analysis of the force constant matrix based on the Hamiltonian. The analysis is applied to the diffusion coefficients of W, Ir, Pt and Ta atoms on the bcc(110) plane of W in the zero-coverage limit. The results of the calculations are encouraging considering the limitations of the model considered in the study.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.14 no.2
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• pp.104-110
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• 2001

Structural, optical and electrical properties of Cd$_{1-x}$ Zn$_{x}$S films deposited by chemical bath deposition(CBD), which is a very attractive method for low-cost and large-area solar cells, are presented. Especially, in order to control more effectively the zinc component of the films, zinc acetate, which was used as the zinc source, was added in the reaction solution after preheating the reaction solution and the pH of the reaction solution decreased with increasing the concentration of zinc acetate. The films prepared after preheating and pH control had larger zinc component and higher optical band gap. The crystal structures of Cd$_{1-x}$ Zn$_{x}$S films was a wurtzite type with a preferential orientation of the (002) plane and the lattice constants of the films changed from the value for CdS to those for ZnS with increasing the mole ratio of the zinc acetate. The minimum lattice mismatch between Cd$_{1-x}$ Zn$_{x}$S and CdTe were 2.7% at the mole ratio of (ZnAc$_2$)/(CdAc$_2$+ZnAc$_2$)=0.4. As the more zinc substituted for Cd in the films, the optical transmittance improved, while the absorption edge shifted toward a shorterwavelength. the photoconductivity of the films was higher than the dark conductivity, while the ratio of those increased with increasing the mole ratio of zinc acetate. acetate.