基于CFD-DEM方法的净化器流场模拟与结构优化

针对空气净化器能耗高的问题，使用离散元方法(DEM)在吸附滤网中建立随机堆积柱形活性炭模型，采用计算流体力学(CFD)方法对空气净化器内部流场进行数值模拟，在模拟与实验验证的基础上，考察了压降最小、流场最均匀的吸附滤网结构。结果表明，空气净化器压降主要发生在轴向，活性炭吸附滤网中回流、沟流现象严重，流体阻力是其他两种滤网的3倍。边数对多边形填充孔结构吸附滤网内压降与流场均匀性无影响，当孔结构改为圆形时，压降减小约52 Pa，节能18.4%(49 W)；当孔直径由8 mm增至12 mm，压降减小约48 Pa，节能19.4%(45 W)；滤网间距对空气净化器压降无影响，圆形、小孔径的吸附滤网内流场最均匀。     

热冲压工艺参数对22MnB5马氏体钢汽车B柱性能影响的有限元模拟

通过有限元仿真软件Autoform分析了热冲压过程中工艺参数的变化对22MnB5马氏体钢B柱起皱、回弹、减薄、马氏体量以及强度的影响。结果表明:22MnB5马氏体钢B柱热冲压最优化工艺参数为加热温度930 ℃,冷却速率80 ℃/s。该工艺参数下,热冲压过程各处均完成马氏体转变,硬度分布均匀,材料减薄率较低,热冲压成形效果好,尺寸精度高,冲压件强度均大于1400 MPa。     

增材制造技术在超高膨胀封隔器中的应用

石油和天然气行业不断关注增材制造技术在航空航天和汽车行业的应用发展。研发了利用增材制造技术的超高膨胀封隔器,该封隔器的支承环系统由增材制造。增材制造设计大幅减少了支承系统的构件数量,同时显著提高了膨胀能力和额定压力。密封元件系统与增材制造支承环安装在一起,提供了极端膨胀比、零挤压间隙和对不规则孔的良好适应性。分析和测试结果表明:直径膨胀比高达111%,与常规封隔器相比,提高50%以上; 至少涵盖5种线重的套管(外径相同); 在148.89 ℃的温度下,密封元件能够保持压力68.95 MPa。介绍了增材制造技术、增材制造支承环概念、增材制造材料力学性能、密封元件系统优化和测试情况,以期给我国的完井作业提供借鉴。     

铁素体/贝氏体双相钢循环载荷作用下变形行为的模拟研究

为了避免铁素体/贝氏体双相钢管线管在服役过程中的交变载荷作用下引起的塑性损伤，采用有限元模拟方法，建立了Chaboche随动强化模型，研究了铁素体/贝氏体双相钢在循环应变载荷作用下的变形行为。结果显示，在循环应变作用下，应变优先在铁素体中形成累积，并在铁素体、贝氏体界面集中；随应变幅的增大，应变带在铁素体中形成，而贝氏体内累积应变增加不大，两相界面应变差增大。研究表明，铁素体内应变和两相应变差的增加将降低双相钢的塑性变形能力。     

A stiffness parameter and truncation error criterion for adaptive path following in structural mechanics

We explore a truncation error criterion to steer adaptive step length refinement and coarsening in incremental-iterative path following procedures, applied to problems in large-deformation structural mechanics. Elaborating on ideas proposed by Bergan and collaborators in the 1970s, we first describe an easily computable scalar stiffness parameter whose sign and rate of change provide reliable information on the local behavior and complexity of the equilibrium path. We then derive a simple scaling law that adaptively adjusts the length of the next step based on the rate of change of the stiffness parameter at previous points on the path. We show that this scaling is equivalent to keeping a local truncation error constant in each step. We demonstrate with numerical examples that our adaptive method follows a path with a significantly reduced number of points compared to an analysis with uniform step length of the same fidelity level. A comparison with Abaqus illustrates that the truncation error criterion effectively concentrates points around the smallest-scale features of the path, which is generally not possible with automatic incrementation solely based on local convergence properties.     

神经网络全局势函数在多相催化中的应用

当今的多相催化研究需要新的技术和方法从原子尺度上表征活性中心结构和反应中间体。本文作者课题组近期开发了理论模拟新技术来探索催化剂活性位点结构，即基于神经网络势函数的大规模原子模拟（LASP）软件中实现的全局神经网络势函数计算方法。本文介绍了该方法可以显著降低催化体系的计算代价，而维持与密度泛函理论同一级别的计算精度，从而解决多相催化中的许多复杂问题。本文对神经网络势函数方法的实现细节和目前已实现的应用场景进行了详细介绍。神经网络势函数可以用来预测材料晶体结构，理解高压氢化条件下TiO₂表面的结构演化和确定三元氧化物ZnCrO晶相中合成气制甲醇活性位点。最后文章分析了神经网络势函数的局限性和今后可能的三个研究方向，即材料性质预测、多元素体系神经网络势函数构造和化学反应拟合。     

Wave scattering through an orthotropic thermoelastic slab sandwiched between two isotropic elastic half-spaces

Abstract

Present study deals with the scattering of a plane wave through an orthotropic thermoelastic slab sandwiched between two elastic half-spaces. Unlike the classical theory of thermoelasticity, we have employed non-classical thermoelastic theories (LS-theory and GL-theory) to analyze the scattering of plane waves. The amplitude ratios for different waves have been computed numerically for the considered generalized theories of thermoelasticity. The effect of the slab thickness on the amplitude ratios has been shown graphically. Moreover, the amplitude ratios of different waves (i.e., reflected, transmitted, forward and backward waves) are compared for different values of slab thickness under both the LS-theory and GL-theory.     

Case history on failure of a 67 M tall reinforced soil slope

Construction of this 67 m high RSS was completed in December 2006. After seven years in-service, a tension crack was observed at the top of the slope. In March 2015 this RSS structure catastrophically collapsed. This RSS structure collapsed in a compound failure mode; as the failure plane passed beneath, partially behind, and partially through the reinforced soil mass. The failure plane beneath the RSS was along a shale-claystone interface. The failure surface partially behind the RSS was along sandstone bedrock with water-seeping bedding planes dipping out of the rock mass. The failure surface through the upper portion of the RSS is where the geogrid reinforcement was overwhelmed by stresses originating from underlying deformation. The RSS collapse occurred after 8.3 years in-service as the shear strength along the shale-claystone interface decreased and approached the fully softened strength. The primary causative factors of this failure are: (i) an insufficient subsurface investigation program and interpretation of data for design and detailing; (ii) insufficient specifications and construction plan details for both foundation preparation and rock backcut benching; (iii) insufficient foundation preparation and rock backcut benching during construction; and (iv) adaptations to the design made during construction.     

Modeling managerial behavior in real options valuation for project-based environments

Project valuation, as a decision-making tool for initiating investments in projects, should be able to value project flexibilities and incorporate reasonable risk preferences of relevant decision makers. Real options valuation methods are the available approaches for valuing project flexibilities, whereas they have shortcomings in considering managers’ reasonable risk preferences in project decisions. Therefore, researchers have suggested approximating the perspective on risk of real options methods and practitioners in project management. This study proposes a fair real options valuation for project-based environments by a behavioral economic approach, which adopts binomial lattice method, Monte-Carlo simulation, and cumulative prospect theory. The results show that behavioral factors such as ‘risk attitude’ and ‘loss aversion’ should be accepted in project investment decisions while limited to an acceptable amount depending on the project conditions (e.g. uniqueness of decision-making scenarios). This research contributes to the project management domain by enhancing project investment decisions that include project flexibilities.     

Quantitative structure-properties relationship,molecular dynamic simulations and designs of some novel lubricant additives

Quantitative structure-properties relationship (QSPR) method was used to design some novel antioxidant lubricant additives, while molecular dynamics simulations were used to calculate their dynamic binding energies on steel and to hydrogen-containing DLC (a-C: H) crystal surfaces. 29 synthesized antioxidant lubricant additives were collected from literature and geometrically optimized by Spartan’14 version 1.1.2 software while Genetic Function Algorithm (GFA) method of the material studio version 8.0 software was used to build the predictive QSPR model. Four novel antioxidant lubricant additives were successfully designed out of which E)-3-(4-((3-amino-4-methylphenyl)diazenyl)-5-hydroxy-4H-pyrazol-3-yl)-2-argio-6,7-difluoroquinazolin-4(3H)-one with excellent property of 3.531295 (KOH/g) was found to be better than the one reported by other researchers. The dynamic binding energy results revealed that one of the designed additives was excellently bound to steel (?1120.11 kcal/mol) and to hydrogen-containing DLC (a-C: H) crystals surface (7814.156 kcal/mol) surfaces than its co-additives. This investigation shows that the entire studied antioxidant lubricant additive was found to be better bound to the steel surface than hydrogen-containing DLC (a-C: H) crystals surface. This study will help in synthesizing novel anti-oxidant lubricant additives with better additive properties that will slow the tendency of oil to oxidize and will not possess a threat to the environment as the structures do not contain zinc and phosphorus that could limit the operation of the catalytic converter in the exhaust pipe.