The roles of conceptual modelling in improving construction simulation studies: A comprehensive review

The conceptual modelling phase of simulation studies has proven to be effective in enhancing the impact of simulation modelling in different domains. However, this simulation phase did not receive much attention in the construction simulation domain. The objective of this paper is to identify the roles that conceptual modelling can play in advancing the engagement, accuracy, and adoption (among other things) of discrete-event simulation studies in construction. In this paper, a Systematic Literature Review (SLR) is conducted, which involves a comprehensive search of databases and researchers’ profiles to identify journal papers, conference articles, books, and theses that have reported the benefits of conceptual modelling for discrete-event simulation studies. The review resulted in 82 documents that were published from 2000 to 2020. Results indicate that the benefits of conceptual modelling include facilitating communications between stakeholders, capturing sufficient information for the simulation model, improving the quality of simulation models, guiding other simulation modelling activities, and facilitating verification and validation of simulation models. By linking these benefits to the current research agenda in construction simulation, this paper shows the significance and potential of the conceptual modelling phase to enhance the impact of discrete-event simulation studies in construction.     

埋地管道泄漏内封堵装置设计与研究

针对流体输送埋地管道泄漏问题,设计了一种利用管道机器人携带封堵气囊进行快速应急封堵修复的埋地管道泄漏内封堵装置。采用矩阵变换方法建立了牵引系统驱动轮过弯方程,利用MATLAB软件对过弯方程进行了验证,同时利用ADAMS软件仿真分析过弯路径与驱动轮转角对牵引系统行走速度的影响。研究结果表明:由两个串联封堵器组成的应急封堵系统可满足复杂工况下的管道泄漏封堵要求;牵引系统驱动轮在弯管内部行走时,单轮速度呈周期性变化,但三个驱动轮整体周期运动特性一致;驱动轮转角在25°~40°时,牵引系统行走速度与驱动轮转角成正比,且转角为30°时驱动效果最好。该内封堵装置的结构设计可为管道泄漏应急封堵领域装备的研发提供重要参考。     

Genes Identification,Molecular Docking and Dynamics Simulation Analysis of Laccases from Amylostereum areolatum Provides Molecular Basis of Laccase Bound to Lignin

An obligate mutualistic relationship exists between the fungus Amylostereum areolatum and woodwasp Sirex noctilio. The fungus digests lignin in the host pine, providing essential nutrients for the growing woodwasp larvae. However, the functional properties of this symbiosis are poorly described. In this study, we identified, cloned, and characterized 14 laccase genes from A. areolatum. These genes encoded proteins of 508 to 529 amino acids and contained three typical copper-oxidase domains, necessary to confer laccase activity. Besides, we performed molecular docking and dynamics simulation of the laccase proteins in complex with lignin compounds (monomers, dimers, trimers, and tetramers). AaLac2, AaLac3, AaLac6, AaLac8, and AaLac10 were found that had low binding energies with all lignin model compounds tested and three of them could maintain stability when binding to these compounds. Among these complexes, amino acid residues ALA, GLN, LEU, PHE, PRO, and SER were commonly present. Our study reveals the molecular basis of A. areolatum laccases interacting with lignin, which is essential for understanding how the fungus provides nutrients to S. noctilio. These findings might also provide guidance for the control of S. noctilio by informing the design of enzyme mutants that could reduce the efficiency of lignin degradation.     

Sequence-Dependent Nanofiber Structures of Phenylalanine and Isoleucine Tripeptides

The molecular design of short peptides to achieve a tailor-made functional architecture has attracted attention during the past decade but remains challenging as a result of insufficient understanding of the relationship between peptide sequence and assembled supramolecular structures. We report a hybrid-resolution model to computationally explore the sequence–structure relationship of self-assembly for tripeptides containing only phenylalanine and isoleucine. We found that all these tripeptides have a tendency to assemble into nanofibers composed of laterally associated filaments. Molecular arrangements within the assemblies are diverse and vary depending on the sequences. This structural diversity originates from (1) distinct conformations of peptide building blocks that lead to different surface geometries of the filaments and (2) unique sidechain arrangements at the filament interfaces for each sequence. Many conformations are available for tripeptides in solution, but only an extended β-strand and another resembling a right-handed turn are observed in assemblies. It was found that the sequence dependence of these conformations and the packing of resulting filaments are determined by multiple competing noncovalent forces, with hydrophobic interactions involving Phe being particularly important. The sequence pattern for each type of assembly conformation and packing has been identified. These results highlight the importance of the interplay between conformation, molecular packing, and sequences for determining detailed nanostructures of peptides and provide a detailed insight to support a more precise design of peptide-based nanomaterials.     

Physics‐based spectral sharpening through filter‐chart calibration

The spectral overlap of color‐sampling filters increases errors when using a diagonal matrix transform, for color correction and reduces color distinction. Spectral sharpening is a transformation of colors that was introduced to reduce color‐constancy errors when the colors are collected through spectrally overlapping filters. The earlier color‐constancy methods improved color precision when the illuminant color is changed, but they overlooked the color distinction. In this article, we introduce a new spectral sharpening technique that has a good compromise of color precision and distinction, based on real physical constraints. The spectral overlap is measured through observing a gray reference chart with a set of real and spectrally disjoint filters selected by the user. The new sharpening method enables to sharpen colors obtained by a sensor without knowing the camera response functions. Experiments with real images showed that the colors sharpened by the new method have good levels of color precision and distinction as well. The color‐constancy performance is compared with the data‐based sharpening method in terms of both precision and distinction. © 2014 Wiley Periodicals, Inc. Col Res Appl, 40, 564–576, 2015     

制导炸弹半实物仿真系统误差对仿真结果的影响

在制导炸弹半实物仿真试验中经常发现,同一发制导炸弹多次仿真的俯仰角差别较大,同一批次制导炸弹投弹试验的遥测俯仰角与仿真俯仰角差别也较大,但是俯仰角的收敛趋势均一致,实测脱靶量与仿真脱靶量都合格,且具有一致性。为了分析出现上述现象的原因,基于协方差分析描述函数法(CADFT),建立了制导炸弹半实物仿真系统的误差传播理论,计算了仿真姿态角和姿态角速度的误差。分析了仿真姿态角和姿态角速度的误差对仿真结果的影响。结果表明,在仿真系统各种误差中,气动力和气动力矩误差是主要误差,是引起仿真俯仰角差别的重要原因; 姿态角的动态验模方法不适用于制导炸弹仿真模型,而脱靶量的静态验模方法适用于制导炸弹仿真模型。     

药用辅料对CYP3A活性的影响及其对仿制药质量和疗效一致性评价的指导作用

药物制剂的处方和工艺是保证药物质量和疗效的基础，药用辅料是药物制剂处方的重要组成部分。部分药用辅料可影响CYP3A的活性，继而可能影响其底物在体内的代谢和生物利用度。在中国和美国，相对生物利用度是仿制药研究的关键内容。我国正在推进仿制药质量和疗效一致性评价。因此，了解药用辅料对CYP3A的影响及其对一致性评价的指导作用具有十分重要的现实意义。     

Modified embedded-atom method interatomic potential for the Mg–Zn–Ca ternary system

Mg–Zn–Ca alloys are representative Mg alloys with high formability at room temperature. Their high formability is thought to be related to slip, twinning, and recrystallization of the alloys, but the detailed mechanisms have not yet been clarified. To enable atomistic simulations for investigating those behaviors, an interatomic potential for the Mg–Zn–Ca ternary system was developed. The development was based on the second nearest-neighbor modified embedded-atom method formalism, combining previously developed Mg–Zn and Mg–Ca potentials with the newly developed Zn–Ca binary potential. The Zn–Ca and Mg–Zn–Ca potentials reproduce structural, elastic, and thermodynamic properties of compounds and solution phases of relevant alloy systems in reasonable agreement with experimental data, first-principles and CALPHAD calculations. The applicability of the developed potentials is demonstrated through calculations of the effects of Zn and Ca solutes on the generalized stacking fault energy for various slip systems, segregation energy on twin boundaries, and volumetric misfit strain.