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41.
Richard Kotek Kyeong Pang Ben Schmidt Alan Tonelli 《Journal of Polymer Science.Polymer Physics》2004,42(23):4247-4254
Poly(ethylene isophthalate) (PEI) was synthesized for this research with essentially a condensation polymerization of isophthalic acid and ethylene glycol catalyzed by zinc acetate and antimony trioxide. Several samples were obtained, and their characteristics were observed and compared with poly(ethylene terephthalate) (PET). The synthesized PEI samples were chemically identified by 1H NMR. Thermal analysis with differential scanning calorimetry (DSC) yielded results that indicate the samples were primarily amorphous, with a glass‐transition temperature of 55–60 °C. Molecular weights of these PEI samples were also obtained through intrinsic viscosity measurements (Mark–Houwink equation). Molecular weights varied with conditions of the polymerization, and the highest molecular weight achieved was 21,000 g/mol. Finally, the diffusion coefficient, solubility, and permeability of CO2 gas in PEI were measured and found to be substantially lower than in PET, as anticipated from their isomeric chemical structures. This is because in PET the phenyl rings are substituted in the para (1,4) positions, which allows for their facile flipping, effectively permitting gases to pass through. However, the meta‐substituted phenyl rings in PEI do not permit such ring flipping, and thus PEI may be more suitable for barrier applications. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 4247–4254, 2004 相似文献
42.
以Cu膜为例,用Monte-Carlo算法模拟了薄膜生长的随机过程,并提出了更加完善的模型.在合理选择原子间相互作用计算方法的基础上,考虑了原子的吸附、在生长表面的迁移及迁移所引起的近邻原子连带效应、从生长表面的脱附等过程.模拟计算了薄膜的早期成核情况以及表面粗糙度和相对密度.结果表明,随着衬底温度的升高或入射率的降低,沉积在衬底上的原子逐步由离散型分布向聚集状态过渡形成一些岛核,并且逐步由二维岛核向三维岛核过渡.在一定的原子入射率下,存在三个优化温度,成核率最高时的最大成核温度Tn、薄膜的表面粗糙度最低
关键词:
Monte-Carlo算法
计算机模拟
薄膜生长 相似文献
43.
利用动力学蒙特卡罗方法模拟了异质外延超薄膜生长中的成核过程.研究了薄膜与衬底的晶格失配对超薄膜生长中成核密度、平均核尺寸、标度关系及生长模式的影响.结果发现产生压(张)应变的晶格负(正)失配使生长过程更早(迟)从成核区进入过渡区,失配越大,这一效应越明显.在相同的沉积条件下,负失配导致超薄膜形成较低的成核密度与较大的平均核尺寸,而正失配则相反.成核密度满足标度关系Ns≈(F/D)χ,随着失配度从-0.04增加到0.02,标度系数χ从0.37逐渐减小到0.33,对应超薄膜生长过程从包含二聚体扩散模式转变到无
关键词:
薄膜生长
成核
晶格失配
蒙特卡罗模拟 相似文献
44.
Takayuki Abe 《Mathematical Methods in the Applied Sciences》2004,27(9):1007-1048
This paper is concerned with the standard Lp estimate of solutions to the resolvent problem for the Stokes operator on an infinite layer with ‘Neumann–Dirichlet‐type’ boundary condition. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
45.
本在分析经济增长的技术进步因素的希克期中性假定的基础上,利用势分析方法提出了中性假定的一般性,并计算了我国改革开放以来技术进步对经济增长贡献率。 相似文献
46.
1.IntroductionTheoptimalityconditionsofmathematicalprogrammingisaveryimportantsubjectbecausetLeyprovideausefulanalyticaltoolforstudingthedualitytheoryandnonlinearprogrammingalgoirthms.Inrecelltyears,someauthorshavebeguntostudytheoptimalityconditionsforvectoroptimizationproblemofset-valuedmapping,suchas[4][51.Inthispaperlwedefinetheconceptofcone--weaklyefficientsubdifferentialofset-valuedmappinginthecaseofgeneralpartiallyorderedlocallyconvextopologicalvectorspaces.Thecone-weaklysubdifferential… 相似文献
47.
We consider an optimal growth (multi-sector) model with nonconvex technology. Using the Clarke results on generalized gradients, we prove that the value function has left and right derivatives with respect to the initial capital stock, without requiring supermodularity assumptions. 相似文献
48.
周焕松 《数学物理学报(B辑英文版)》1998,(2)
1IntroductionIntillspaper,weare(follccrlledwitlltileexistellccofPositly(tsollltiollsoftilefollowillgnonhonlogelleousellipticProblclll:whereg(x)EL'(R'),g(:v)Z0alldg(x)t0,f(x,t)=h(x,t).hi=withb>0,h(x,t)EC(R=xR,R)alldtilefollowing(CI)-(C3)11old:(CI)sliphillM0.linljfl- x,h(T,t)(t--if-=011llif'orllllyforxeR2.hill}t:l-:,t)(axle(~ltJ')= lx,11lliforllllyl'Ora:6RZ.ltl~la(C3)ThereexistM>0,aE(0,1]sucllthatFOllowing[1,5],wesaythatf(x,t)=h(x,f… 相似文献
49.
The purpose of this paper is to give the Reid ``Roundabout Theorem' for quadratic functionals with general boundary conditions.
In particular, we describe the so-called coupled point and regularity condition introduced in [16] in terms of Riccati equation
solutions.
Accepted 27 February 1996 相似文献
50.
L.-H. Tang P. Smilauer D.D. Vvedensky 《The European Physical Journal B - Condensed Matter and Complex Systems》1998,2(3):409-412
Two types of mechanisms are proposed for mound coarsening during unstable epitaxial growth: stochastic, due to deposition
noise, and deterministic, due to mass currents driven by surface energy differences. Both yield the relation H=(RWL)2 between the typical mound height W, mound size L, and the film thickness H. An analysis of simulations and experimental data shows that the parameter R saturates to a value which discriminates sharply between stochastic () and deterministic () coarsening. We derive a scaling relation between the coarsening exponent 1/z and the mound-height exponent which, for a saturated mound slope, yields .
Received: 11 November 1997 / Revised in final form: 28 November 1997 /
Accepted: 28 November 1997 相似文献