YuanTong Gu

Bio: YuanTong Gu is an academic researcher from Queensland University of Technology. The author has contributed to research in topics: Finite element method & Meshfree methods. The author has an hindex of 52, co-authored 550 publications receiving 12583 citations. Previous affiliations of YuanTong Gu include Nanjing Medical University & National University of Singapore.

Assessment and applications of point interpolation methods for computational mechanics

Abstract: Two meshfree point interpolation methods (PIMs), which are based on the polynomial and the radial basis functions, have been proposed recently in addition to the earlier work with the moving least-squares (MLS) approximation for the field function approximation. However, it is found that PIMs cannot automatically ensure the compatibility of the solution when they are used together with the energy principles. In this paper, issues related to the compatibility of PIMs are studied. A technique of background cell-based nodal selections and a penalty method are proposed to enforce the compatibility of the solution of PIMs. The patch test is studied in great detail. The convergences and performances are investigated for both conforming and non-conforming PIMs. It is found that those methods of the PIM family are very easy to implement, and are very efficient in obtaining numerical solutions for problems of computational mechanics. Copyright © 2004 John Wiley & Sons, Ltd.

Controllable CO2 electrocatalytic reduction via ferroelectric switching on single atom anchored In2Se3 monolayer.

Abstract: Efficient and selective CO2 electroreduction into chemical fuels promises to alleviate environmental pollution and energy crisis, but it relies on catalysts with controllable product selectivity and reaction path. Here, by means of first-principles calculations, we identify six ferroelectric catalysts comprising transition-metal atoms anchored on In2Se3 monolayer, whose catalytic performance can be controlled by ferroelectric switching based on adjusted d-band center and occupation of supported metal atoms. The polarization dependent activation allows effective control of the limiting potential of CO2 reduction on TM@In2Se3 (TM = Ni, Pd, Rh, Nb, and Re) as well as the reaction paths and final products on Nb@In2Se3 and Re@In2Se3. Interestingly, the ferroelectric switching can even reactivate the stuck catalytic CO2 reduction on Zr@In2Se3. The fairly low limiting potential and the unique ferroelectric controllable CO2 catalytic performance on atomically dispersed transition-metals on In2Se3 clearly distinguish them from traditional single atom catalysts, and open an avenue toward improving catalytic activity and selectivity for efficient and controllable electrochemical CO2 reduction reaction. Electroreduction of CO2 into chemical fuels holds promise for mitigating environmental pollution and energy crisis. This work presents a distinct design of ferroelectric catalysts with high catalytic activity and selectivity for efficient and controllable electrochemical CO2 reduction reaction.

I and i

Abstract: There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality. Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

Fast parallel algorithms for short-range molecular dynamics

Abstract: 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.

Mitigation and Adaptation Strategies for Global Change

Abstract: ▶ Addresses a wide range of timely environment, economic and energy topics ▶ A forum to review, analyze and stimulate the development, testing and implementation of mitigation and adaptation strategies at regional, national and global scales ▶ Contributes to real-time policy analysis and development as national and international policies and agreements are discussed and promulgated ▶ 94% of authors who answered a survey reported that they would definitely publish or probably publish in the journal again