NDW thanks the EPSRC DTP competition 2018-19 at the University of Huddersfield for funding(EP/R513234/1);JMS is currently supported by a UKRI Future Leaders Fellowship(MR/T043121/1);previously held a University of Manchester Presidential Fellowship.Calculations were performed on the Orion computing fa-cility and the Violeta HPC at the University of Huddersfield,and the THOMAS and YOUNG facilities at the UK Materials and Molecular Modelling Hub(MMM Hub);which is partially funded by the EPSRC(EP/P020194/1 and EP/T022213/1);via our membership of the UK’s HEC Materials Chemistry Consortium(MCC),which is also funded by the EPSRC(EP/R029431/1 and EP/X035859/1).
A detailed computational investigation,based on density functional theory,of the interaction of polyani-line(PANI)and graphene nanoribbons(GNRs)with SrTiO_(3) is presented.The adsorption of PANI in var-ious oxidation ...
financially supported by the National Key Research and Development Program of China(No.2016YFB0301101);the Hunan Provincial Science and Technology Program of China(No.2017RS3002)-Huxiang Youth Talent Plan;the Youth Talent Project of Innovation-driven Plan at Central South University(No.2019XZ027);the support from the Fundamental Research Funds for the Central Universities of Central South University(No.2018zzts129)。
In this work,a novel computational framework for establishment of atomic mobility database directly from the experimental composition profiles and its uncertainty quantification was developed by merging the Bayesian i...
the Aeronautical Science Foundation-of China(No.05G52054);the National Natural Science Foundation of China(No.10672077).
A new Martensitic transformation kinetic model for shape memory alloy (SMA) is proposed based on the phenomenological description of the Martensitic transformation heat flow-temperature curve and on the linear relat...
This work was supported by the National 863 Project of China(2001AA334020-3).
Poly (phthalazinone ether sulfone) (PPES) with 1:1 and 1:3 ratios of bisphenol A (BPA) unit to phthalazinone unit were selected as samples. Polymer precipitation curves for the ternary systems PPES (1:1)/NMP/ non-solv...
This research is sponsored by the National Natural Science Foundation of China under grant No,50171049;the Doctoral Science Foundation of Ministty of Education of China under the grant 1999049702.
A sedimentation method is proposed to fabricate functionally graded materials (FGMs) with the continuous andsmooth variations of composition. The relations between the compositional distribution of deposited body and ...