Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

A prevalent and pervasive view of designing is that it can be modeled using variables and decisions made about what values should be taken by these variables. The activity of designing is carried out with the expectation that the designed artifact will operate in the natural world and the social world. These worlds impose constraints on the variables and their values; so, design could be described as a goal-oriented, constrained, decision- making activity. However, design distinguish- es itself from other similarly described activities not only by its domain but also by additional necessary features. Designing involves exploration, exploring what variables might be appropriate. The process of explo- ration involves both goal variables and deci- sion variables. In addition, designing involves learning: Part of the exploration activity is learning about emerging features as a design proceeds. Finally, design activity occurs within two contexts: the context within which the designer operates and the context produced by the developing design itself. The designer’s perception of what the context is affects the implication of the context on the design. The context shifts as the designer’s perceptions change. Design activity can be now characterized as a goal-oriented, con- strained, decision-making, exploration, and learning activity that operates within a con- text that depends on the designer’s percep- tion of the context.

Design Prototypes: A Knowledge Representation Schema for Design

Fundamentals of Modern Manufacturing: Materials, Processes and Systems

Enabling technologies and tools for digital twin

With the rapid advancement of cyber-physical systems, Digital Twin (DT) is gaining ever-increasing attention owing to its great capabilities to realize Industry 4.0. Enterprises from different fields are taking advantage of its ability to simulate real-time working conditions and perform intelligent decision-making, where a cost-effective solution can be readily delivered to meet individual stakeholder demands. As a hot topic, many approaches have been designed and implemented to date. However, most approaches today lack a comprehensive review to examine DT benefits by considering both engineering product lifecycle management and business innovation as a whole. To fill this gap, this work conducts a state-of-the art survey of DT by selecting 123 representative items together with 22 supplementary works to address those two perspectives, while considering technical aspects as a fundamental. The systematic review further identifies eight future perspectives for DT, including modular DT, modeling consistency and accuracy, incorporation of Big Data analytics in DT models, DT simulation improvements, VR integration into DT, expansion of DT domains, efficient mapping of cyber-physical data and cloud/edge computing integration. This work sets out to be a guide to the status of DT development and application in today’s academic and industrial environment.

A state-of-the-art survey of Digital Twin: techniques, engineering product lifecycle management and business innovation perspectives

Long-term observation of the triboelectric effect has not only proved the feasibility of many novel and useful tribo-devices (e.g., triboelectric nanogenerators), but also constantly motivated the exploration of its mysterious nature. In the pursuit of a comprehensive understanding of how the triboelectric process works, a more accurate description of the triboelectric effect and its related parameters and factors is urgently required. This review critically goes through the fundamental theories and basic principles governing the triboelectric process. By investigating the difference between each charging media, the electron, ion, and material transfer is discussed and the theoretical deduction in the past decades is provided. With the information from the triboelectric series, interesting phenomena including cyclic triboelectric sequence and asymmetric triboelectrification are precisely analyzed. Then, the interaction between the tribo-system and its operational environment is analyzed, and a fundamental description of its effects on the triboelectric process and results is summarized. In brief, this review is expected to provide a strong understanding of the triboelectric effect in a more rigorous mathematical and physical sense.

/pdf/fundamental-theories-and-basic-principles-of-triboelectric-wvatfhd2s3.pdf

Fundamental theories and basic principles of triboelectric effect: A review

Facing the new trend of Industry 4.0, manufacturing factories are required to have a more flexible structure to finish producing customized products within the limited time and at a reasonable cost. Although virtual factory technology is believed to be helpful for plant layout design and production planning, there still lacks a general framework and algorithms of simulation-based approach to design an optimized plant layout and the production process. This paper proposes a framework of simulation-based approach and develops a procedure for the implementation of the proposed framework. The paper also integrates mathematical algorithms and heuristic methods when applying simulation to balance the operation performance and the planning cost. An illustrative case demonstrates that the proposed approach can achieve the goal of better plant layout design and production planning.

A simulation-based approach for plant layout design and production planning

A new numerical method for piston dynamics and lubrication analysis

As interest in the triboelectric effect increases in line with the development of tribo-electrification related devices, the mechanisms involved in this phenomenon require more systematic review from the dual perspectives of developed classical insights and emerging quantum understanding. In this paper, the clear energy changing and transferring process of electrons have been proposed from the quantum point of view as the trigger for the charging initiation process in the triboelectric effect, and the phonon modes on the friction surfaces are believed to hold great importance as one of the main driving forces. Compatible with Maxwell Displacement Current theory, the complete consideration for charging steady state, i.e., the competition mechanisms between the breakdown process and the continuously charging process, and the balance mechanisms of phonon-electron interaction, built voltage, and induced polarization, are illustrated. In brief, the proposed theory emphasizes the fundamental role of electron transferring in tribo-electrical fields. By comparing certain experimental results from the previous studies, the theory is justified.As interest in the triboelectric effect increases in line with the development of tribo-electrification related devices, the mechanisms involved in this phenomenon require more systematic review from the dual perspectives of developed classical insights and emerging quantum understanding. In this paper, the clear energy changing and transferring process of electrons have been proposed from the quantum point of view as the trigger for the charging initiation process in the triboelectric effect, and the phonon modes on the friction surfaces are believed to hold great importance as one of the main driving forces. Compatible with Maxwell Displacement Current theory, the complete consideration for charging steady state, i.e., the competition mechanisms between the breakdown process and the continuously charging process, and the balance mechanisms of phonon-electron interaction, built voltage, and induced polarization, are illustrated. In brief, the proposed theory emphasizes the fundamental role of electron tr...

Zhinan Zhang

Papers

Fundamental theories and basic principles of triboelectric effect: A review

A simulation-based approach for plant layout design and production planning

A new numerical method for piston dynamics and lubrication analysis

Triboelectric effect: A new perspective on electron transfer process

Modeling and analysis of planar multibody system with mixed lubricated revolute joint