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Thermal Stability and Thermal Aging of Poly(vinyl chloride)/MgAl Layered Double Hydroxides Composites

Chinese Journal of Polymer Science 2016年第5期34卷 542-551页

作者： Hong-mei Zhang 张书华 Polite Stewart Chen-hui Zhu Wei-jun Liu alexander hexemer Eric Schaible 王成 College of Chemistry and Chemical Engineering Shanghai University of Engineering Science Shanghai 201620 China Advanced Light Source Lawrence Berkeley National Laboratory Berkeley 94720 USA College of Mechanical Engineering Shanghai University of Engineering Science Shanghai 201620 China

MgAl-LDH（layered double hydroxides） were prepared with CO（NH2）2, NH4 Cl and NH3·H2O by the coprecipitation method, respectively. Corresponding composite membranes were prepared by the coating method. LDHs were characterized by WAXS, CO2-TPD and SEM. The morphology of the PVC/LDHs composite membranes were characterized by means of SEM. The thermal stability of the membranes was analyzed by air aging box and TGA-FTIR. The SEM results show that nano-particles can be compatible with poly（vinyl chloride）（PVC） matrix homogeneously by the stirring-ultrasound blend method with two steps. Furthermore, the air aging box results proved that MgAl-CO（NH2）2-LDH has the best effect on thermal stability of PVC. TGA-FTIR results show that MgAl-CO（NH2）2-LDH could adsorb more HCl that resulted from the degradation of PVC and improve the pyrolysis temperature of the first degradation stage by 15 K compared with PVC.

关键词： vinyl layered compatible pyrolysis heating steps spacing interlayer dispersed blend

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A Continuous Action Space Tree search for INverse desiGn (CASTING) framework for materials discovery

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npj Computational Materials 2023年第1期9卷 500-515页

作者： Suvo Banik Troy Loefller Sukriti Manna Henry Chan Srilok Srinivasan Pierre Darancet alexander hexemer Subramanian K.R.S.Sankaranarayanan Center for Nanoscale Materials Argonne National LaboratoryLemontIL 60439USA Department of Mechanical and Industrial Engineering University of IllinoisChicagoIL 60607USA Advanced Light Source(ALS)Division Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA

Material properties share an intrinsic relationship with their structural attributes,making inverse design approaches crucial for discovering new materials with desired *** Learning(RL)approaches are emerging as powerful inverse design tools,often functioning in discrete action *** constrains their application in materials design problems,which involve continuous search ***,we introduce an RL-based framework CASTING(Continuous Action Space Tree Search for inverse design),that employs a decision tree-based Monte Carlo Tree Search(MCTS)algorithm with continuous space adaptation through modified policies and *** representative examples like Silver(Ag)for metals,Carbon(C)for covalent systems,and multicomponent systems such as graphane,boron nitride,and complex correlated oxides,we showcase its accuracy,convergence speed,and scalability in materials discovery and ***,with the inverse design of super-hard Carbon phases,we demonstrate CASTING’s utility in discovering metastable phases tailored to user-defined target properties and preferences.

关键词： Action framework Tree

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