CMES-Vol. 116, No. 1, 2018

Open Access

ARTICLE

Investigation on Purine Corrosion Inhibitions via Quantum Chemical Calculation
Fengjuan Wang^1,2, Shengping Wu^1,2,*, Jinyang Jiang^1,2,*
CMES-Computer Modeling in Engineering & Sciences, Vol.116, No.1, pp. 1-10, 2018, DOI:10.31614/cmes.2018.03834
Abstract Corrosion inhibition performances of three purine derivatives were investigated systematically by employing DFT and molecular modeling. The relationship between macroscopic inhibition efficiency and quantum chemical properties was discussed from multiple perspectives, based on frontier orbital theory, and Fukui function theories. Comparative experimental and theoretical studies were taken, indicating the inhibition efficiency could be analyzed in the order of guanine <2,6-diaminopurine <2,6-dithiopurine. The sulphur atom (S5) was validated to be the most susceptible site for electrophile via quantitative surface analysis. More >

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ARTICLE

Simulation of Solid Particle Interactions Including Segregated Lamination by Using MPS Method
Kyung Sung Kim¹, Moo-Hyun Kim^2,*, Hakun Jang³, Hee Chen Cho⁴
CMES-Computer Modeling in Engineering & Sciences, Vol.116, No.1, pp. 11-29, 2018, DOI:10.31614/cmes.2018.00199
Abstract A new MPS (Moving Particle Semi-implicit) method is developed to simulate the behaviors and interactions of multiple fine solid particles as a continuum. As fluid particles are affected by viscosity, so solid particles are affected by friction. The solid particle dynamics for landslides, dumping, and gravity sorting etc. which can be difficult to simulate using conventional MPS methods, are modeled in this paper using the developed multi-solid-particle MPS method that benefits from drawing comparisons with the corresponding fluid particle behaviors. The present MPS results for dumping solid particles are verified against the corresponding DEM (Discrete… More >

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Mass Transfer of MHD Nanofluid in Presence of Chemical Reaction on A Permeable Rotating Disk with Convective Boundaries, Using Buongiorno's Model
Muhammad Shoaib Arif ^{1, *}, Yasir Nawaz¹, Mairaj Bibi², Zafar Ali¹
CMES-Computer Modeling in Engineering & Sciences, Vol.116, No.1, pp. 31-49, 2018, DOI:10.31614/cmes.2018.00434
Abstract This communiqué is opted to study the flow of nanofluid because of heated disk rotation subjected to the convective boundaries with chemical reaction of first order. Wherein Buongiorno’s model for nanofluids is used due to its wide range of applications and the rotating disk under investigation is permeable. Small magneto Reynolds parameter and boundary layer assumptions are carried out to formulate the problem. The system of nonlinear partial differential equations governing the flow problem is converted into the set of ordinary differential equations by using particular relations known as Von Karman transformations. The complicated set More >

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ARTICLE

An Explicit-Implicit Mixed Staggered Asynchronous Step Integration Algorithm in Structural Dynamics
Zhiqiang Ma^1,2, Lingshuang Kong^1,2, Xianlong Jin^1,2,*
CMES-Computer Modeling in Engineering & Sciences, Vol.116, No.1, pp. 51-67, 2018, DOI:10.31614/cmes.2018.01739
Abstract Many engineering applications need to analyse the system dynamics on the macro and micro level, which results in a larger computational effort. An explicit-implicit asynchronous step algorithm is introduced to solve the structural dynamics in multi-scale both the space domain and time domain. The discrete FEA model is partitioned into explicit and implicit parts using the nodal partition method. Multiple boundary node method is adopted to handle the interface coupled problem. In coupled region, the implicit Newmark coupled with an explicit predictor corrector Newmark whose predictive wave propagates into the implicit mesh. During the explicit More >

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Distance Control Algorithm for Automobile Automatic Obstacle Avoidance and Cruise System
Jinguo Zhao^{1, *}
CMES-Computer Modeling in Engineering & Sciences, Vol.116, No.1, pp. 69-88, 2018, DOI:10.31614/cmes.2018.02415
Abstract With the improvement of automobile ownership in recent years, the incidence of traffic accidents constantly increases and requirements on the security of automobiles become increasingly higher. As science and technology develops constantly, the development of automobile automatic obstacle avoidance and cruise system accelerates gradually, and the requirement on distance control becomes stricter. Automobile automatic obstacle avoidance and cruise system can determine the conditions of automobiles and roads using sensing technology, automatically adopt measures to control automobile after discovering road safety hazards, thus to reduce the incidence of traffic accidents. To prevent accidental collision of automobile More >

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ARTICLE

Optimal Model of Continuous Knowledge Transfer in the Big Data Environment
Chuanrong Wu^{1, *}, Evgeniya Zapevalova¹, Yingwu Chen², Deming Zeng³, Francis Liu⁴
CMES-Computer Modeling in Engineering & Sciences, Vol.116, No.1, pp. 89-107, 2018, DOI:10.31614/cmes.2018.04041
Abstract With market competition becoming fiercer, enterprises must update their products by constantly assimilating new big data knowledge and private knowledge to maintain their market shares at different time points in the big data environment. Typically, there is mutual influence between each knowledge transfer if the time interval is not too long. It is necessary to study the problem of continuous knowledge transfer in the big data environment. Based on research on one-time knowledge transfer, a model of continuous knowledge transfer is presented, which can consider the interaction between knowledge transfer and determine the optimal knowledge More >

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