• Bulletin of the Korean Chemical Society
• /
• v.26 no.3
• /
• pp.399-408
• /
• 2005

We have utilized neural network (NN) studies to predict impact sensitivities of various types of explosive molecules. Two hundreds and thirty four explosive molecules have been taken from a single database, and thirty nine molecular descriptors were computed for each explosive molecule. Optimization of NN architecture has been carried out by examining seven different sets of molecular descriptors and varying the number of hidden neurons. For the optimized NN architecture, we have utilized 17 molecular descriptors which were composed of compositional and topological descriptors in an input layer, and 2 hidden neurons in a hidden layer.

• Journal of the Korean Society of Manufacturing Technology Engineers
• /
• v.20 no.3
• /
• pp.310-315
• /
• 2011

General portal machine represents a distinct weak spot concerning their structural behavior because of long protruding structure components, such as saddles and rams. The weak point causes the deformation of the machine tool and consequently rises a severe machining error. The purpose of this study is to improve the structural design of crossrail in order to minimize it's distortion. Tool Center Point (TCP) was chosen as a reference point for evaluating the distortion effect of a crossrail and topological optimization was adopted as a method of structural design improvement. The displacements of TCP according to the machining positions were investigated by structural analyses for both of original crossrail design and the improved one. The comparing results showed that the displacement of TCP could be reduced about 55% maximum.

• Bulletin of the Korean Chemical Society
• /
• v.30 no.11
• /
• pp.2717-2722
• /
• 2009

The use of the classification and regression tree (CART) methodology was studied in a quantitative structure-activity relationship (QSAR) context on a data set consisting of the binding affinities of 39 imidazobenzodiazepines for the α1 benzodiazepine receptor. The 3-D structures of these compounds were optimized using HyperChem software with semiempirical AM1 optimization method. After optimization a set of 1481 zero-to three-dimentional descriptors was calculated for each molecule in the data set. The response (dependent variable) in the tree model consisted of the binding affinities of drugs. Three descriptors (two topological and one 3D-Morse descriptors) were applied in the final tree structure to describe the binding affinities. The mean relative error percent for the data set is 3.20%, compared with a previous model with mean relative error percent of 6.63%. To evaluate the predictive power of CART cross validation method was also performed.

• Transactions of the Korean Society of Mechanical Engineers A
• /
• v.35 no.3
• /
• pp.259-266
• /
• 2011

We present a new dual sequential approximate optimization (SAO) algorithm called SD-TDQAO (sequential dual two-point diagonal quadratic approximate optimization). This algorithm solves engineering optimization problems with a nonlinear objective and nonlinear inequality constraints. The two-point diagonal quadratic approximation (TDQA) was originally non-convex and inseparable quadratic approximation in the primal design variable space. To use the dual method, SD-TDQAO uses diagonal quadratic explicit separable approximation; this can easily ensure convexity and separability. An important feature is that the second-derivative terms of the quadratic approximation are approximated by TDQA, which uses only information on the function and the derivative values at two consecutive iteration points. The algorithm will be illustrated using mathematical and topological test problems, and its performance will be compared with that of the MMA algorithm.

• Journal of Ship and Ocean Technology
• /
• v.5 no.2
• /
• pp.14-26
• /
• 2001

This paper presents a novel design approach that could generate structural design alternatives having different topologies and then, select the optimum structure from them with simulataneously determining its optimum design variables related to geometry and the member size subjected to the multiple objective design environments. For this purpose, a specialized genetic algorithm, called StrGA_DeAl + MOGA, which can handle the design alternatives and multi-criteria problems very effectively, is developed for the optimal structural design. To validate the developed method, method, plain truss design problems are considered as illustrative example. To begin with, some possible topological of the truss structure are suggested based on the stability criterion that should be satisfied under the given loading condition. Then, with the consideration of the given multi-criteria, several different topology forms are selected as design alternatives for the second step of the conceptual design process. Based on the chosen topolgy of truss structures, the sizing or shaping optimization process starts to determine the optimum design parameters. Ten-bar truss problems are given in the paper to confirm the above concept and methodology.

• Structural Engineering and Mechanics
• /
• v.84 no.4
• /
• pp.547-560
• /
• 2022

By presetting various reinforcement diameters in topology optimization with the discrete model finite element analysis, an algorithm of bidirectional evolutionary structural optimization of multi-level reinforcement diameter is presented to obtain the optimal reinforcement topologies which describe the degree of stress of different parts. The results of a comparative study on different reinforcement feasible domain demonstrate that the more angle types of reinforcement are arranged in the initial domain, the higher utilization rate of reinforcement of the optimal topology becomes. According to the nonlinear finite element analysis of some deep beam examples, the ones designed with the optimization results have a certain advantage in ultimate bearing capacity, although their failure modes are greatly affected by the reinforcement feasible domain. Furthermore, the bearing capacity can be improved when constructional reinforcements are added in the subsequent design. However the adding would change the relative magnitude of the bearing capacity between the normal and inclined section, or the relative magnitude between the flexural and shear capacity within the inclined section, which affects the failure modes of components. Meanwhile, the adding would reduce the deformation capacity of the components as well. It is suggested that the inclined reinforcement and the constructional reinforcement should be added properly to ensure a desired ductile failure mode for components.

• Computational Structural Engineering
• /
• v.9 no.3
• /
• pp.169-177
• /
• 1996

The focus of this study is on the problem of the design of structure of undetermined topology. This problem has been regarded as being the most challenging of structural optimization problems, because of the difficulty of allowing topology to change. Conventional approaches break down when element sizes approach to zero, due to stiffness matrix singularity. In this study, a novel nonlinear programming formulation of the topology problem is presented. Its main feature is the ability to account for topology variation through zero element sizes. Stiffness matrix singularity is avoided by embedding the equilibrium equations as equality constraints in the optimization problem. Although the formulation is general, two dimensional plane elasticity examples are presented. The design problem is to find minimum weight of a plane structure of fixed geometry but variable topology, subject to constraints on stress and displacement. Variables are thicknesses of finite elements, and are permitted to assume zero sizes. The examples demonstrate that the formulation is effective for finding at least a locally minimal weight.

• Journal of the Computational Structural Engineering Institute of Korea
• /
• v.35 no.3
• /
• pp.191-196
• /
• 2022

In this study, the anisotropic mechanical property of fused deposition modeling three-dimensional (3D) printing based on lamination direction was verified by a tensile test. Moreover, the property was applied to solid isotropic materials with penalization-based topology optimization. The case of the lower control arm, one of the automotive suspension components, was considered as a benchmark problem. The optimal topological results varied depending on the external load and anisotropic property. Based on these results, two test specimens were fabricated by varying the lamination direction of 3D printing; a tensile test utilizing 3D non-contact strain gauge was also conducted. The measured strain was compared with that obtained by computer-aided engineering response analysis. Quantitatively, the measurement and analysis results are found to have good agreement. The effectiveness of topology optimization considering the lamination direction of 3D printing was confirmed by the experimental result.

• Computational Structural Engineering
• /
• v.9 no.3
• /
• pp.179-186
• /
• 1996

A simple nonlinear programming(NLP) formulation for the optimal topology problem of structures is developed and examined. The NLP formulation is general, and can handle arbitrary objective functions and arbitrary stress, displacement constraints under multiple loading conditions. The formulation is based on simultaneous analysis and design approach to avoid stiffness matrix singularity resulting from zero sizing variables. By embedding the equilibrium equations as equality constraints in the nonlinear programming problem, we avoid constructing and factoring a system stiffness matrix, and hence avoid its singularity. The examples demonstrate that the formulation is effective for finding an optimal solution, and shown to be robust under a variety of constraints.

• Journal of the Korean Society for Precision Engineering
• /
• v.22 no.12 s.177
• /
• pp.141-148
• /
• 2005

When one opens the door of a microwave oven during operation, microwave might leak through the clearance of the door. Present research has been motivated by the need to reduce the possible clearance by enhancing torsional stiffness of the door of the microwave oven. Static deformation of the door frame of the oven is analyzed under a door-opening force. On the basis of the topological optimization, the right flange of the door frame is shown to need reinforcing. Several types of reinforcing brackets weldable to the right flange is proposed, and their effects to the stiffness of the door frame are compared and evaluated.