Xiaoyi Zhang

Contact Details

Address

Publications and Preprints

• Parametrization of a Reactive Force Field (ReaxFF) for Molecular Dynamics Simulations of Si Nanoparticles

  Giovanni Barcaro^†, Susanna Monti^†, Luca Sementa^†, Vincenzo Carravetta^†
  Journal of Chemical Theory and Computation 13 (8), 3854 - 3861, (2017)
  
  
  

• Molecular Dynamics Simulations of Si Nanoparticles Melting and Sintering: a comparison of different force fields and computational models

  Luca Sementa^*†, Giovanni Barcaro^†, Susanna Monti^†, Vincenzo Carravetta^†
  Physical Chemistry Chemical Physics, (2017)
  
  
  

• Outlier analysis for a silicon nanoparticle population balance model

  Sebastian Mosbach^†, William J Menz^†, Markus Kraft^†
  Combustion and Flame 177, 89 - 97, (2017)
  
  
  

• Hot-wall reactor for the gas-phase synthesis of inorganic nanomaterials

  Nicola Bianco^†, Amit Bhave^†
  CMCL User Stories 41, 1 - 2, (2017)
  
  
  

• A reactor network approach in kinetics™ to model the gas-phase synthesis of nanoparticles in DC plasma reactors

  Nicola Bianco^†, Amit Bhave^†
  CMCL User Stories 42, 1 - 2, (2017)
  
  
  

• Electrostatic Self-Assembly Enabling Integrated Bulk and Interfacial Sodium Storage in 3D Titania-Graphene Hybrid

  Gui-Liang Xu^*, Lisong M Xiao, Tian Sheng, Jianzhao Liu, Yi-Xin Hu, Tianyuan Ma, Rachid Amine, Yingying Xie, Xiaoyi Zhang, Yuzi Ren, Yang Sun, Cheng-Jun Heald, Steve Kovacevic, Jasmina Sehlleier, Yee Hwa Schulz, Christof Wiggers, Wenjuan Chen, Shi-Gang , Hartmut , Zonghai , Khalil
  Nano Letters 18 (1), 336 - 346, (2018)
  
  
  

• Atomistic Modelling of Si Nanoparticles Synthesis

  Giovanni Barcaro^†, Susanna Monti^†, Luca Sementa^†, Vincenzo Carravetta^†
  Crystals 7 (2), (2017)
  
  
  

Posters

• Development of a modeling framework for the gas-phase synthesis of nanomaterials presented by Patrick Wollny on 2016-05-30 06:30:00
  Authors: Patrick Wollny^†, Irenäus Wlokas^†, Andreas Kempf^†
  
• Chemical kinetic modelling of combustion-generated nanoparticles presented by Nicola Bianco on 2016-07-04 15:00:00
  Authors: Nicola Bianco^†, Amit Bhave^†, Sebastian Mosbach^‡
  
• NanoDome software platform for multi-scale modelling of gas-phase nanoparticle synthesis presented by Francesco Strappaveccia on 2017-08-31 13:45:00
  Authors: Francesco Strappaveccia^*†, Patrick Galleni^†, Emanuele Wollny^‡, Ghedini^†
  
• H2020 NanoDome Project: A Unified Approach for Gas-Phase Nanoparticles Synthesis Modelling presented by Francesco Strappaveccia on 2017-07-31 16:45:00
  Authors: Francesco Strappaveccia^*†, Emanuele Galleni^†, Ghedini^†
  
• Mesoscopic and Continuum Models Linking for Nanoparticles Gas-Phase Synthesis Simulation presented by Francesco Galleni on 2017-08-03 16:45:00
  Authors: Francesco Galleni^*†, Emanuele Strappaveccia^†, Ghedini^†
  
• Detailed Simulations of Transport and Nanoparticle Formation in a Hot-Wall Reactor presented by Patrick Wollny on 2017-03-22 10:30:00
  Authors: Patrick Wollny^*†, Irenäus Wlokas^†, Andreas Kempf^†
  

Conferences

• 1^st Materials Chain Conference (MCIC 2016) - From Discovery to Production (2016-05-30 - 2016-06-01). Universitätsstraße 150, 44801, Bochum, North Rhine-Westphalia, Germany
  
• 2016 MRS Fall Meeting and Exhibit (2016-11-27 - 2016-12-02). 900 Boylston St, Hynes, Level 2, Room 209, 02115, Boston, Massachusetts, United States
  
• COST Training School on the Analysis of Combustion Mechanisms (2016-07-04 - 2016-07-07). Pázmány Péter stny. 1/A, 1117, Budapest, Central Hungary, Hungary
  
• 1^st WG4 Workshop (2016-04-05 - 2016-04-05). School of Engineering, University Federico II, Piazzale Tecchio 80, 80125, Naples, Campania, Italy
  
• NEC User Group (NUG) 2017 Meeting (2017-05-22 - 2017-05-24). Faculty Club, Groot Begijnhof 14, 3000, Leuven, Flemish Brabant, Belgium
  
• Materials.it 2016 (2016-12-12 - 2016-12-16). Via Antonello da Messina 45, Aci Castello, Catania, 95021, Sheraton Catania Hotel Aci Castello, Catania, Italy
  
• 8^th International Conference on Multiscale Materials Modeling (MMM16) (2016-10-09 - 2016-10-14). 3 Boulevard de Champagne, Dijon, 21000, Palais des Congrès, Bourgogne-Franche-Comté, France
  
• 4^th International Conference on Molecular Simulation (ICMS2016) (2016-10-23 - 2016-10-26). 800 Dongchuan Road, Minhang District, Shanghai, 200240, Shanghai Jiao Tong University, Shanghai, China
  
• European Aerosol Conference 2017 (EAC2017) (2017-08-27 - 2017-09-01). University of Zürich, Campus Irchel, Mathematisch-naturwissenschaftliche Fakultät, 8057, Zürich, Zürich, Switzerland
  
• 23^th International Symposium on Plasma Chemistry (2017-07-30 - 2017-08-04). 1201 Boulevard Rene-Levesque West, Montréal, H3B 2L7, Le Centre Sheraton Montreal Hotel, Québec, Canada
  
• Gas-phase Synthesis of Functional Nanomaterials: Fundamental Understanding, Modeling and Simulation, Scale-up (2017-03-21 - 2017-03-22). Carl-Benz Straße 199, 47057, Duisburg, North Rhine-Westphalia, Germany
  
• Conferenza del Dipartimento Scienze Chimiche e Tecnologie dei Materiali del CNR (2017-10-19 - 2017-10-20). Località Calabona C.P. 15, Alghero, 07041, Hotel Calabona, Sassari, Italy
  
• IntOP 2017: EMMC Workshop on Interoperability in Materials Modelling (2017-11-07 - 2017-11-08). Cowley Road, Cambridge, CB4 0WS, St John's Innovation Centre, Cambridgeshire, United Kingdom
  
• All-Energy Exhibition and Conference 2017 (2017-05-10 - 2018-05-11). Exhibition Way, Glasgow, G3 8YW, Scottish Events Campus (SEC), Glasgow, United Kingdom
  
• DETC Ontology Engineering Focus Group Meeting/Sector Challenge Workshop (2017-12-13 - 2017-12-13). 3 Lesney Avenue, Queen Elizabeth Olympic Park, London, E20 3BS, The Broadcast Centre, Here East, London, United Kingdom
  

Talks

• Chemical kinetic schemes to simulate combustion-generated inorganic nanoparticles presented by Amit Bhave on 2016-04-05
  Authors: Amit Bhave^†, Nicola PE Bianco^†, Michael Hillman^†, George Brownbridge^†, Jethro Akroyd^‡, Philipp Buerger^‡, Daniel Nurkowski^‡, Sebastian Mosbach^‡, Markus Kraft^‡
  Address: School of Engineering, University Federico II, Piazzale Tecchio 80, 80125, Naples, Italy
  
• Multi-scale study of the gasphase growth of Silicon clusters in realistic conditions presented by Giovanni Barcaro on 2016-10-10
  Authors: Giovanni Barcaro^†, Susanna Monti^†, Luca Sementa^†, Vincenzo Carravetta^†
  Address: 3 Boulevard de Champagne, Dijon, 21000, Palais des Congrès, France
  
• Modeling of Gas Phase Nanoparticle Synthesis presented by Giovanni Barcaro on 2016-12-12
  Authors: Giovanni Barcaro^†, Susanna Monti^†, Luca Sementa^†, Vincenzo Carravetta^†
  Address: Via Antonello da Messina 45, Aci Castello, Catania, 95021, Sheraton Catania Hotel Aci Castello, Italy
  
• Detailed simulations of transport and nanoparticle formation in a hot-wall reactor presented by Patrick Wollny on 2016-11-28
  Authors: Patrick Wollny^†, Johannes Sellmann^†, Hans Orthner^†, Hartmut Wiggers^†, Irenäus Wlokas^†, Andreas Kempf^†
  Address: 900 Boylston St, Hynes, Level 2, Room 209, 02115, Boston, United States
  Keywords: chemical synthesis, pyrolysis
• Flame Synthesis of Nanoparticles - Investigation of Intermediates between Precursor Decomposition and Particle Nucleation presented by Hartmut Wiggers on 2016-12-01
  Authors: Hartmut Wiggers^†, Sebastian Kluge^†, Christof Schulz^†
  Address: 900 Boylston St, Hynes, Level 2, Room 209, 02115, Boston, United States
  Keywords: nanoscale, nucleation and growth, reactivity
• Speed up innovation - HPC the next step in industrial research presented by Marcus Drosson on 2017-05-22
  Authors: Marcus Drosson^*†
  Address: Faculty Club, Groot Begijnhof 14, 3000, Leuven, Belgium
  
• Modeling of gas phase nanoparticle synthesis presented by Giovanni Barcaro on 2016-10-24
  Authors: Giovanni Barcaro^*†, Susanna Monti^†, Luca Sementa^†, Vincenzo Carravetta^†
  Address: 800 Dongchuan Road, Minhang District, Shanghai, 200240, Shanghai Jiao Tong University, China
  
• Multiscale Simulation of Gas-Phase Nanoparticle Formation and Dynamics in a Hot Wall Reactor applying the NanoDome Platform presented by Patrick Wollny on 2017-09-01
  Authors: Patrick Wollny^*†, Francesco Strappaveccia^‡, Andreas Kempf^†, Emanuele Ghedini^‡, Irenäus Wlokas^†
  Address: University of Zürich, Campus Irchel, Mathematisch-naturwissenschaftliche Fakultät, 8057, Zürich, Switzerland
  
• Melting and sintering of Si nanoparticles by Molecular Dynamics simulations presented by Luca Sementa on 2017-10-20
  Authors: Luca Sementa^*†, Giovanni Barcaro^†, Susanna Monti^†, Vincenzo Carravetta^†
  Address: Località Calabona C.P. 15, Alghero, 07041, Hotel Calabona, Italy
  
• Computational protocols to investigate nucleation and growth at hybrid systems interfaces presented by Giovanni Barcaro on 2017-12-06
  Authors: Giovanni Barcaro^*†, Susanna Monti^†, Luca Sementa^†, Vincenzo Carravetta^†
  Address: Via Dodecaneso 33, Genoa, 16146, Department of Physics, Italy
  
• Using ontology to augment measurements data with physico-chemical simulation for industrial application presented by Amit Bhave on 2017-11-07
  Authors: Amit Bhave^*†
  Address: Cowley Road, Cambridge, CB4 0WS, St John's Innovation Centre, United Kingdom
  
• From biomass to energy - Computer aided engineering solutions presented by Nicola Bianco on 2017-05-10
  Authors: Nicola Bianco^*†
  Address: Exhibition Way, Glasgow, G3 8YW, Scottish Events Campus (SEC), United Kingdom
  
• Ontology Engineering - materials, chemicals and automotive applications presented by Amit Bhave on 2017-12-13
  Authors: Amit Bhave^*†
  Address: 3 Lesney Avenue, Queen Elizabeth Olympic Park, London, E20 3BS, The Broadcast Centre, Here East, United Kingdom