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Quire Interaction of Certain Nitramine type Explosives with Proton--A DFt Study

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火炸药学报 2017年第1期40卷 1-6页

作者： Lemi türker Department of Chemistry Middle East technical University Ankara Turkey 06231

the composites of certain nitramine type explosives,tEtRYL,RDX and EDNA,with proton in vacuum have been considered within the constraints of density functional theory at the level of B3LYP/6-31++G(d,p)(restricted and unrestricted).the results indicate that unexpectedly hydrogen molecule production occurs by the interaction of proton and a hydrogen of CH3(tEtRYL)and CH2(RDX and EDNA)*** a result,a carbocation is generated on the explosive ***,tEtRYL which potentially has many protonation sites were investigated in more detail in vacuum and aqueous *** data reveals that the composite system(tEtRYL+proton)is less stable than tEtRYL protonated on nitramine NH or oxygen of the nitro groups.

关键词： nitramines tEtRYL RDX EDNA proton DFt

Endohedrally Helium-doped CL-20:A DFt treatment

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火炸药学报 2018年第5期41卷 434-440页

作者： Lemi türker department of chemistry Universiteler middle east technical universityAnkara Turkey 062310

In order to investigate whether endohedral He-doping is possible or not in CL-20,a density functional treatment has been carried out at the levels of B3LYP/6-31++G(d,p)and B3PW91/6-31++G(d,p).Some physicochemical and quantum chemical properties of the helium-doped CL-20 (He@CL-20)are compared with the respective values of the parent explosive *** helium doping caused swelling of CL-20cage but no bond rupture *** helium acquired some positive charge.

关键词： CL-20 explosives Helium Endohedral doping density functional

Synergistic fibroblast optimization: a novel nature-inspired computing algorithm

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Frontiers of Information technology & Electronic Engineering 2018年第7期19卷 815-833页

作者： t t DHIVYAPRABHA P SUBASHINI M KRISHNAVENI Department of Computer Science Avinashilingam Institute for Home Science and Higher Education for Women

the evolutionary algorithm, a subset of computational intelligence techniques, is a generic population-based stochastic optimization algorithm which uses a mechanism motivated by biological concepts. Bio-inspired computing can implement successful optimization methods and adaptation approaches, which are inspired by the natural evolution and collective behavior observed in species, respectively. Although all the meta-heuristic algorithms have different inspirational sources, their objective is to find the optimum(minimum or maximum), which is problem-specific. We propose and evaluate a novel synergistic fibroblast optimization(SFO) algorithm, which exhibits the behavior of a fibroblast cellular organism in the dermal wound-healing process. Various characteristics of benchmark suites are applied to validate the robustness, reliability, generalization, and comprehensibility of SFO in diverse and complex situations. the encouraging results suggest that the collaborative and self-adaptive behaviors of fibroblasts have intellectually found the optimum solution with several different features that can improve the effectiveness of optimization strategies for solving non-linear complicated problems.

关键词： Synergistic fibroblast optimization (SFO) Fitness analysis Convergence Benchmark suite Monk's dataset

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加糖对茶“乳凝”转溶的作用

福建茶叶 1985年第3期 45-48+37-50页

作者： S.nagalakshmi ,周巨根

本文报道了对茶“乳凝”(Cream)进行转溶的研究结果。发现在热茶汤中添加葡萄糖、蔗糖和麦芽糖糊精对茶“乳凝”转溶是无效的。但是,在揉切叶中加入不同浓度的糖类物质象木糖、山梨糖醇、葡萄糖、乳糖、蔗糖和麦芽糖糊精,随后经过不同... 详细信息

本文报道了对茶“乳凝”(Cream)进行转溶的研究结果。发现在热茶汤中添加葡萄糖、蔗糖和麦芽糖糊精对茶“乳凝”转溶是无效的。但是,在揉切叶中加入不同浓度的糖类物质象木糖、山梨糖醇、葡萄糖、乳糖、蔗糖和麦芽糖糊精,随后经过不同历时的发酵,结果在很大程度上使茶“乳凝”转溶。效果依次如下:单糖>双糖>多糖。其原因可解释为在发酵叶中形成了单宁—糖—蛋白质(酶)的络合物。

关键词：转溶加糖蔗糖二糖乳凝麦芽糖糊精

Performance Analysis of Intelligent Robust Facility Layout Design

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Chinese Journal of Mechanical Engineering 2017年第2期30卷 407-418页

作者： G MOSLEMIPOUR t S LEE Y t LOONG Department of Industrial Engineering Payame Noor University Faculty of Engineering and technology Multimedia University

Design of a robust production facility layout with minimum handling cost （MHC） presents an appropriate approach to tackle facility layout problems in a dynamic volatile environment, in which product demands randomly change in each planning period. the objective of the design is to find the robust facility layout with minimum total material handling cost over the entire multiperiod planning horizon. this paper proposes a new mathematical model for designing robust machine layout in the stochastic dynamic environment of manufacturing systems using quadratic assignment problem （QAP） formulation. In this investigation, product demands are assumed to be normally distributed random variables with known expected value, variance, and covariance that randomly change from period to period. the proposed model was verified and validated using randomly generated numerical data and benchmark examples. the effect of dependent product demands and varying interest rate on the total cost function of the proposed model has also been investigated. Sensitivity analysis on the proposed model has been performed. Dynamic programming and simulated annealing optimization algorithms were used in solving the modeled example problems.

关键词： Robust layout Dynamic stochastic environment Manufacturing system Dynamic programming

A density functional study on some cyclic N_(10) isomers

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Defence technology（防务技术） 2019年第2期15卷 154-161页

作者： Lemi türker Middle East technical University Department of Chemistry üniversiteler

Polynitrogen compounds, comprising only nitrogen atoms, are rare. they are considered as promising candidates of clean(green) high energy density materials because of their high energy content and their sole decomposition product is N_2. Extending the previous work which was on cyclic N_8 isomers, in this study some cyclic N_(10) isomers having 1-4 cycles are considered within the limitations of density functional theory at the levels of B3LYP/6-311++G(d,p) and B3LYP/cc-PVtZ. Some of the structures,including the monocyclic one, decompose by eliminating certain number of N_2 units while some remain intact. All the stable isomers(1-3, 6-8) investigated presently are highly endothermic that they are candidates for clean high energy materials. Certain quantum chemical properties, IR and UV-VIS spectra as well as the specific impulse values for the stable structures are reported.

关键词： Nitrogen Polynitrogen Density functional theory Isomers N10

Effect of magnesium on FOX-7 and its tautomers-A DFt treatment

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Defence technology（防务技术） 2018年第3期14卷 179-187页

作者： Lemi türker Middle East technical University Department of Chemistry üniversiteler

FOX-7 and its cisoid and transoid 1,5-tautomers as well as magnesium composites of all have been investigated quantum chemically within the restrictions of density functional theory(B3 LYP/6 e311ttG(d,p)). Certain physico-chemical and quantum chemical properties, energies, stabilities,calculated IR and UV-VIS spectra are discussed. the influence of magnesium atom is investigated. It has been found that in FOX-7 composites the magnesium is not a silent ingredient, but interacts with the organic constituents.

关键词： FOX-7 镁原子 DFt 物理化学药品性质稳定性成分外力

Some remarks on the dynamical conformity of rock joints

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International Journal of Mining Science and technology 2018年第3期28卷 385-390页

作者： t.Ficker Faculty of Civil Engineering Brno University of Technology

A recently developed computerized method for assessing the rock joint coefficients is discussed. the performances of formerly introduced relative similarity indicators, along with the correlation coefficient, are subjected to critical analysis. these relative numerical indicators are replaced by two absolute indicators whose properties better describe surface textures of rock joints. the first absolute indicator results from the Fourier Matrix and evaluates wavy shapes of surfaces. the second absolute indicator quantifies the heights of surface reliefs, and is defined as the root mean square height of the surface outline. the behavior of the newly introduced numerical indicators are investigated by means of the deterministic periodic surface reliefs. the practical application of the new indicators is presented and the convenient performances of both the indicators are documented.

关键词： Rock joints Shear strength Joint rock coefficients Numerical indicators Computerized assessment

Exactness of penalization for exact minimax penalty function method in nonconvex programming

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Applied Mathematics and Mechanics(English Edition) 2015年第4期36卷 541-556页

作者： t.ANtCZAK Faculty of Mathematics and Computer Science University of Lódz

the exact minimax penalty function method is used to solve a noncon- vex differentiable optimization problem with both inequality and equality constraints. the conditions for exactness of the penalization for the exact minimax penalty function method are established by assuming that the functions constituting the considered con- strained optimization problem are invex with respect to the same function η （with the exception of those equality constraints for which the associated Lagrange multipliers are negative these functions should be assumed to be incave with respect to η）. thus, a threshold of the penalty parameter is given such that, for all penalty parameters exceeding this threshold, equivalence holds between the set of optimal solutions in the considered constrained optimization problem and the set of minimizer in its associated penalized problem with an exact minimax penalty function. It is shown that coercivity is not suf- ficient to prove the results.

关键词： exact minimax penalty function method minimax penalized optimizationproblem exactness of penalization of exact minimax penalty function invex function,incave function