• Steel and Composite Structures
• /
• v.34 no.2
• /
• pp.261-277
• /
• 2020

The main objective of this research paper is to consider vibration analysis of vacancy defected graphene sheet as a nonisotropic structure via molecular dynamic and continuum approaches. The influence of structural defects on the vibration of graphene sheets is considered by applying the mechanical properties of defected graphene sheets. Molecular dynamic simulations have been performed to estimate the mechanical properties of graphene as a nonisotropic structure with single- and double- vacancy defects using open source well-known software i.e., large-scale atomic/molecular massively parallel simulator (LAMMPS). The interactions between the carbon atoms are modelled using Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential. An isogeometric analysis (IGA) based upon non-uniform rational B-spline (NURBS) is employed for approximation of single-layered graphene sheets deflection field and the governing equations are derived using nonlocal elasticity theory. The dependence of small-scale effects, chirality and different defect types on vibrational characteristic of graphene sheets is investigated in this comprehensive research work. In addition, numerical results are validated and compared with those achieved using other analysis, where an excellent agreement is found. The interesting results indicate that increasing the number of missing atoms can lead to decrease the natural frequencies of graphene sheets. It is seen that the degree of the detrimental effects differ with defect type. The Young's and shear modulus of the graphene with SV defects are much smaller than graphene with DV defects. It is also observed that Single Vacancy (SV) clusters cause more reduction in the natural frequencies of SLGS than Double Vacancy (DV) clusters. The effectiveness and the accuracy of the present IGA approach have been demonstrated and it is shown that the IGA is efficient, robust and accurate in terms of nanoplate problems.

• Bulletin of the Korean Chemical Society
• /
• v.15 no.2
• /
• pp.132-138
• /
• 1994

Bis(diethylamino)aluminum hydride was utilized in a systematic study of the approximate rates and stoichiometry of the reaction of excess reagent with 55 selected organic compounds containing representative functional groups under standardized conditions (THF, $0^{\circ}C$, reagent to compound=4 : 1) in order to define the characteristics of the reagent for selective reductions. The reducing action of BEAH was also compared with that of the parent aluminum hydride. The reducing action of the reagent is quite similar to that of aluminum hydride, but the reducing power is much weaker. Aldehydes and ketones were readily reduced in 1-3 h to the corresponding alcohols. However, unexpectedly, a ready involvement of the double bond in cinnamaldehyde was realized to afford hydrocinnamyl alcohol. The introduction of diethylamino group to the parent aluminum hydride appears not to be appreciably influential in stereoselectivity on the reduction of cyclic ketones. Both p-benzoquinone and anthraquinone utilized 2 equiv of hydride readily without evolution of hydrogen, proceeded cleanly to the 1,4-reduction products. Carboxylic acids and acid chlorides underwent reduction to alcohols slowly, whereas cyclic anhydrides utilized only 2 equiv of hydride slowly to the corresponding hydroxylacids. Especially, benzoic acid with a limiting amount of hydride was reduced to benzaldehyde in a yield of 80%. Esters and lactones were also readily reduced to alcohols. Epoxides examined all reacted slowly to give the ring-opened products. Primary and tertiary amides utilized 1 equiv of hydride fast and further hydride utilization was quite slow. The examination for possibility of achieving a partial reduction to aldehydes was also performed. Among them, benzamide and N,N-dimethylbenzamide gave ca, 90% yields of benzaldehyde. Both the nitriles examined were also slowly reduced to the amines. Unexpectedly, both aliphatic and aromatic nitro compounds proved to be relatively reactive to the reagent. On the other hand, azo- and azoxybenzenes were quite inert to BEAH. Cyclohexanone oxime liberated 1 equiv of hydrogen and utilized 1 equiv of hydride for reduction, corresponding to N-hydroxycyclohexylamine. Pyridine ring compounds were also slowly attacked. Disulfides were readily reduced with hydrogen evolution to the thiols, and dimethyl sulfoxide and diphenyl sulfone were also rapidly reduced to the sulfides.

• Bulletin of the Korean Chemical Society
• /
• v.18 no.1
• /
• pp.14-18
• /
• 1997

Sulconazole nitrate, C18H16Cl3N3O3S, crystallizes in monoclinic, space group C2/c, with a=14.401(1), b=8.051(1), c=34.861(2) Å, β=95.9(1)°, g=0.58 mm-1, Dc=1.523 g/cm3, Dm=1.522 g/cm3, F(000)=1888.0, and z=8. Intensities for 2460 unique reflections were measured on a CAD4 diffractometer with graphited-monochromated Mo-Kα radiation. The structure was solved by direct method and refined by full matrix least squares to a final R=0.071 for 2182 reflections (Io > 2σIo). The bond lengths and angles are comparable with the values found in the analogues imidazole derivatives. The 2,4-dichlorophenyl ring(A) and the p-chlorophenyl ring(B) are almost planar with different heights [dihedral angle 17.3°] while the imidazole ring(C) is nearly perpendicular to the two phenyl rings[dihedral angles about the two rings A, B are 110.8° and 96.1° respectively]. In order to understand the overall conformation we calculated the selected distances (l1, l2, l3) among the center of the three rings and considered the imaginary plan D[C(7), C(9) and C(16)]. The two polar group S(8) and N(19) do not have gauche conformation and l2 value (4.47 Å) is shorter than the other imidazole derivatives. One -NO3 group are hydrogen bonded the two neighbored sulconazole molecules. The molecular crystal packing is also formed by two hydrogen bondings and van der Waals forces.

• Bulletin of the Korean Chemical Society
• /
• v.21 no.7
• /
• pp.720-726
• /
• 2000

The analytic gradient method for the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) energy has been extended to employ a reduced molecular orbital (MO) space. Not only the innermost core MOs but also some of the outermost virtua l MOs can be dropped in the reduced MO space, and a substantial amount of computation time can be reduced without deteriorating the results. In order to study the magnitudes and trends of the effects of the dropped MOs, the geometries and vibrational properties of the ground and excited states of BF, CO, CN, N2, AlCl, SiS, P2, BCl, AIF, CS, SiO, PN and GeSe are calculated with different sizes of molecular orbital space. The 6-31 G* and the aug-cc-pVTZ basis sets are employed for all molecules except GeSc for which the 6-311 G* and the TZV+f basis sets are used. It is shown that the magnitudes of the drop-MO effects are about $0.005\AA$ in bond lengths and about 1% on harmonic frequencies and IR intensities provided that the dropped MOs correspond to (1s), (1s,2s,2p), an (1s,2s,2p,3s,3p) atomic orbitals of the first, the second, and the third row atoms, respectively. The geometries and vibrational properties of the first and the second excited states of HCN and HNC are calculated by using a drastically reduced virtual MO space as well as with the well defined frozen core MO space. The results suggest the possibility of using a very smalI MO space for qualitative study of valence excited states.

• Advances in materials Research
• /
• v.8 no.1
• /
• pp.47-73
• /
• 2019

Joining of Mg/Ti hybrid structures by welding for automotive and aerospace applications has attracted great attention in recent years due mainly to its potential benefit of energy saving and emission reduction. However, joining them has been hampered with many difficulties due to their physical and metallurgical incompatibilities. Different joining processes have been employed to join Mg/Ti, and in most cases in order to get a metallurgical bonding between them was the use of an intermediate element at the interface or mutual diffusion of alloying elements from the base materials. The formation of a reaction product (in the form of solid solution or intermetallic compound) along the interface between the Mg and Ti is responsible for formation of a metallurgical bond. However, the interfacial bonding achieved and the joints performance depend significantly on the newly formed reaction product(s). Thus, a thorough understanding of the interaction between the selected intermediate elements with the base metals along with the influence of the associated welding parameters are essential. This review is timely as it presents on the current paradigm and progress in welding and joining of Mg/Ti alloys. The factors governing the welding of several important techniques are deliberated along with their joining mechanisms. Some opportunities to improve the welding of Mg/Ti for different welding techniques are also identified.

• KSCE Journal of Civil and Environmental Engineering Research
• /
• v.39 no.4
• /
• pp.523-530
• /
• 2019

Pavement distress and traffic accidents are caused by pot-hole. In addition, direct and indirect damages of road users are increasing, such as loss of life due to personal injury and damage to vehicles. Generally, the asphalt concrete pavements are continuously aging from the production process to the terminal performance period. Aging causes stripping due to cracks and moisture penetration and weakening the pavement structure to induce pot-hole. In this study, adhesion performance and moisture sensitivity were evaluated according to aging degree in order to investigate the effect of aging on asphalt pavement. As a result of the study, the viscosity of the asphalt binder was increased with aging and the bond strength of the aged was increased 2~3 times than that of the unaged. The results of accelerated aging test showed an increases in indirect tensile strength and the increase in the TSR (Tensile Strength Ratio) by 4.2~8.9 %. As a result, it is noted that the anti-stripping and adhesion performances of the aged asphalt concrete are improved compared to the unaged one under the aging conditions of asphalt binder coated on aggregates.

• Composites Research
• /
• v.31 no.6
• /
• pp.299-303
• /
• 2018

In order to improve the interfacial bonding force and reaction polymerization degree of the carbon fiber reinforced nylon 6 composite material, the surface of the existing epoxy-sizing carbon fiber was desized to remove the epoxy and treated with urethane, nylon and phenoxy sizing agent, was observed. The interfacial bond strength of the resized carbon fiber was confirmed by IFSS (Interfacial Shear Strength) and the fracture surface was observed by scanning electron microscope. The results showed that the interfacial bonding strength of the carbon fiber treated with nylon and phenoxy sizing agents was higher than that of urethane - based sizing. It has been found that the urethane - type resizing carbon fiber has lower interfacial bonding strength than the conventional epoxy - sizing carbon fiber. This result shows that the interfacial bonding between carbon fiber and nylon 6 is improved by removing low activity and smoothness of existing carbon fiber.

• Land and Housing Review
• /
• v.11 no.4
• /
• pp.51-65
• /
• 2020

The purpose of this study was to identify the problems related to the amendment and preservation of the lien system and to suggest a feasible and efficient improvement plan. The Analytic Hierarchy Process (AHP) and descriptive statistical analyses were used in this study. The survey subjects were divided into three groups based on their expertise: "Administrative Experts, Practical Experts, and Financial Institution Experts" and compared to find the results. The results show that 1) the procedural aspect was the most important for the large classification, 2) the supplementary disclosure system was the most important for the legislative aspect, and 3) the supplementation of the abuse of the lien report was the most important for the intermediate classification. Furthermore, the study showed that the most important finding was the reinforcement of punishment for the right of false reporting and illegal acts, followed by the registration order system (the creditor alone application), and the registration system (bond, debtor, joint application). The implications and suggestions of this study are as followed. With regard to the current lien system, illegal acts such as false liens and the misuse of multiple reporting were considered as the biggest problems. In terms of the effective improvement plan of the lien system, the misuse of reporting liens and improvement in the procedural aspects of reporting rights should be given top priority. Therefore, the most important course of action is to strengthen the punishment for false liens, improve the disclosure system and make it mandatory to report rights.

• Korean Journal of Metals and Materials
• /
• v.47 no.9
• /
• pp.573-579
• /
• 2009

Titanium/aluminum/stainless steel(Ti/Al/STS) clad materials have received much attention due to their high specific strength and corrosion-resisting properties. However, it is difficult to fabricate these materials, because titanium oxide is easily formed on the titanium surface during heat treatment. The aim of the present study is to derive optimized cladding conditions and thereupon obtain the stable quality of Ti/Al/STS clad materials. Ti sheets were prepared with and without pre-heat treatment and Ti/Al/STS clad materials were then fabricated by cold rolling and a post-heat treatment process. Microstructure of the Ti/Al and STS/Al interfaces was observed using a Scanning Electron Microscope(SEM) and an Energy Dispersed X-ray Analyser(EDX) in order to investigate the effects of Ti pre-heat treatment on the bond properties of Ti/Al/STS clad materials. Diffusion bonding was observed at both the Ti/Al and STS/Al interfaces. The bonding force of the clad material with non-heat treated Ti was higher than that with pre-heat treated Ti before the cladding process. The bonding force decreased rapidly beyond $400^{\circ}C$, because the formed Ti oxide inhibited the joining process between Ti and Al. Bonding forces of STS/Al were lower than those of Ti/Al, because brittle $Fe_3Al$, $Al_3Fe$ intermetallic compounds were formed at the interface of STS/Al during the cladding process. In addition, delamination of the clad material with pre-heat treated Ti was observed at the Ti/Al interface after a cupping test.

• Korean Journal of Metals and Materials
• /
• v.47 no.12
• /
• pp.811-818
• /
• 2009

In order to meet increasingly complex and rigorous technical specifications, extensive effort has been devoted to fabricate clad materials with multi-layered metal plates. In this study, novel stainless steel/aluminum/copper (STS/Al/Cu) three-ply clad materials were fabricated by a hot rolling process for cookware applications. The effect of the testing temperature on the mechanical properties of the clad materials and on each component metal was investigated during the tensile tests. The interface properties of the clad materials were also examined by optical microscopy (OM) and an electron probe micro-analyzer (EPMA). The best mechanical and interfacial properties for a warm working process were found in a sample annealed at a temperature of $300^{\circ}C$. For the sample annealed at $400^{\circ}C$, the results of the tensile test indicated that interface delamination occurred only in the region of the Al/Cu interfaces. This was due to the formation of the thick and brittle intermetallic compound of $Al_2Cu$ in the Al/Cu interface. In contrast, no interface delamination was observed in the STS/Al interface, most likely due to its strong bond strength.