Coarse-grained models articles within Scientific Reports

Featured

• Article
  04 March 2024 | Open Access

  Revealing process and material parameter effects on densification via phase-field studies

  • Marco Seiz
  • , Henrik Hierl
  •  & Wolfgang Rheinheimer

• Article
  08 November 2023 | Open Access

  Copula-based modeling and simulation of 3D systems of curved fibers by isolating intrinsic fiber properties and external effects

  • Matthias Weber
  • , Andreas Grießer
  •  & Volker Schmidt

• Article
  07 November 2023 | Open Access

  Development of mechanically-consistent coarse-grained molecular dynamics model: case study of mechanics of spider silk

  • S. Momeni Bashusqeh
  •  & N. M. Pugno

• Article
  20 March 2023 | Open Access

  New perspectives on preshearing history in granular soils

  • L. Knittel
  • , M. Tafili
  •  & Th. Triantafyllidis

• Article
  17 August 2022 | Open Access

  Nucleation and growth of gold nanoparticles in the presence of different surfactants. A dissipative particle dynamics study

  • Rosa Suárez-López
  • , Víctor F. Puntes
  •  & Carlos Jaime

• Article
  08 July 2022 | Open Access

  A comparison of explainable artificial intelligence methods in the phase classification of multi-principal element alloys

  • Kyungtae Lee
  • , Mukil V. Ayyasamy
  •  & Prasanna V. Balachandran

• Article
  05 April 2022 | Open Access

  Two-step heat fusion kinetics and mechanical performance of thermoplastic interfaces

  • Shijun Wang
  • , Jiaxin Shi
  •  & Zhiping Xu

• Article
  24 February 2022 | Open Access

  Calculation model for ventilation friction resistance coefficient by surrounding rock roughness distribution characteristics of mine tunnel

  • Ke Gao
  • , Zhipeng Qi
  •  & Jinyi Zhang

• Article
  07 February 2022 | Open Access

  Internal friction angle model of particles

  • Jiri Zegzulka
  • , Jan Necas
  •  & Lucie Jezerska

• Article
  06 December 2021 | Open Access

  Effect of laser-induced ultrasound treatment on material structure in laser surface treatment for selective laser melting applications

  • Ivan A. Ivanov
  • , Vladimir S. Dub
  •  & Konstantin E. Kuper

• Article
  19 November 2020 | Open Access

  Combined light- and heat-induced shape memory behavior of anthracene-based epoxy elastomers

  • Yuzhan Li
  • , Monojoy Goswami
  •  & Orlando Rios

• Article
  01 October 2020 | Open Access

  Effects of pre-oxidation on the corrosion behavior of pure Ti under coexistence of solid NaCl deposit and humid oxygen at 600 °C: the diffusion of chlorine

  • Lei Fan
  • , Li Liu
  •  & Chengxian Yin

• Article
  24 August 2020 | Open Access

  Universal size ratios of Gaussian polymers with complex architecture: radius of gyration vs hydrodynamic radius

  • Khristine Haydukivska
  • , Viktoria Blavatska
  •  & Jarosław Paturej

• Article
  09 July 2020 | Open Access

  Impact of strain, pressure, and electron correlation on magnetism and crystal structure of Mn₂GaC from first-principles

  • Martin Dahlqvist
  •  & Johanna Rosen

• Article
  22 June 2020 | Open Access

  A new mechanism of strain transfer in polycrystals

  • F. Di Gioacchino
  • , T. E. J. Edwards
  •  & W. J. Clegg

• Article
  04 March 2020 | Open Access

  Self-assembly of Pseudo-Dipolar Nanoparticles at Low Densities and Strong Coupling

  • Mariano E. Brito
  • , Marcelo A. Carignano
  •  & Verónica I. Marconi

• Article
  19 February 2020 | Open Access

  Dynamic vs static behaviour of a supported nanoparticle with reaction-induced catalytic sites in a lattice model

  • Alexander Korobov

• Article
  05 December 2019 | Open Access

  Phase-Field Simulation of Grain Boundary Evolution In Microstructures Containing Second-Phase Particles with Heterogeneous Thermal Properties

  • T. F. Flint
  • , Y. L. Sun
  •  & J. A. Francis

• Article
  31 October 2019 | Open Access

  Estimation of material parameters based on precipitate shape: efficient identification of low-error region with Gaussian process modeling

  • Yuhki Tsukada
  • , Shion Takeno
  •  & Toshiyuki Koyama

• Article
  31 October 2019 | Open Access

  A topological transition by confinement of a phase separating system with radial quenching

  • Tsuyoshi Tsukada
  •  & Rei Kurita

• Article
  20 August 2019 | Open Access

  Newtonian flow inside carbon nanotube with permeable boundary taking into account van der Waals forces

  • Yue Chan
  • , Shern-Long Lee
  •  & Yong Ren

• Article
  04 June 2019 | Open Access

  Mesoscale modelling of miscible and immiscible multicomponent fluids

  • Z. C. Zhao
  • , R. J. Moat
  •  & R. S. Qin

• Article
  24 May 2019 | Open Access

  Bifurcation and Pattern Symmetry Selection in Reaction-Diffusion Systems with Kinetic Anisotropy

  • Yipeng Gao
  • , Yongfeng Zhang
  •  & Jian Gan

• Article
  08 March 2019 | Open Access

  Capturing 3D large-strain Euler-bending filament dynamics in fibrous media simulations; sample case of compression collapse in dendritic actin network

  • Jyothirmai J. Simhadri
  •  & Preethi L. Chandran

• Article
  04 February 2019 | Open Access

  Activity induced delocalization and freezing in self-propelled systems

  • Lorenzo Caprini
  • , Umberto Marini Bettolo Marconi
  •  & Andrea Puglisi

• Article
  30 January 2019 | Open Access

  Fluid-solid phase transition of n-alkane mixtures: Coarse-grained molecular dynamics simulations and diffusion-ordered spectroscopy nuclear magnetic resonance

  • S. Shahruddin
  • , G. Jiménez-Serratos
  •  & E. A. Müller

• Article
  26 September 2018 | Open Access

  Modelling realistic microgels in an explicit solvent

  • F. Camerin
  • , N. Gnan
  •  & E. Zaccarelli

• Article
  30 August 2018 | Open Access

  Unique Symmetry-Breaking Phenomenon during the Self-assembly of Macroions Elucidated by Simulation

  • Zhuonan Liu
  • , Tianbo Liu
  •  & Mesfin Tsige

• Article
  24 August 2018 | Open Access

  Phase-field modeling for pH-dependent general and pitting corrosion of iron

  • Chisa Tsuyuki
  • , Akinori Yamanaka
  •  & Yasushi Ogimoto

• Article
  04 July 2018 | Open Access

  Unraveling the Mesoscale Evolution of Microstructure during Supersonic Impact of Aluminum Powder Particles

  • Sumit Suresh
  • , Seok-Woo Lee
  •  & Avinash M. Dongare

• Article
  09 April 2018 | Open Access

  Retraction of the dissolution front in natural porous media

  • Y. Yang
  • , S. Bruns
  •  & H. O. Sørensen

• Article
  28 March 2018 | Open Access

  Computer simulation study of early bacterial biofilm development

  • Rafael D. Acemel
  • , Fernando Govantes
  •  & Alejandro Cuetos

• Article
  26 March 2018 | Open Access

  Structure and Dynamics of Polymeric Canopies in Nanoscale Ionic Materials: An Electrical Double Layer Perspective

  • Zhou Yu
  • , Fengchang Yang
  •  & Rui Qiao

• Article
  13 March 2018 | Open Access

  Statistically derived asymmetric membrane potentials from α-helical and β-barrel membrane proteins

  • Julia Koehler Leman
  • , Richard Bonneau
  •  & Martin B. Ulmschneider

• Article
  27 February 2018 | Open Access

  Multi-objective Optimization for Materials Discovery via Adaptive Design

  • Abhijith M. Gopakumar
  • , Prasanna V. Balachandran
  •  & Turab Lookman

• Article
  06 February 2018 | Open Access

  Controlling motile disclinations in a thick nematogenic material with an electric field

  • Amit Kumar Bhattacharjee

• Article
  08 November 2017 | Open Access

  All-Materials-Inclusive Flash Spark Plasma Sintering

  • Charles Manière
  • , Geuntak Lee
  •  & Eugene A. Olevsky

• Article
  03 November 2017 | Open Access

  Rotational Diffusion of Soft Vesicles Filled by Chiral Active Particles

  • Jiamin Chen
  • , Yunfeng Hua
  •  & Linxi Zhang

• Article
  19 October 2017 | Open Access

  One-dimensional Confinement Effect on the Self-assembly of Symmetric H-shaped Copolymers in a Thin Film

  • Dan Mu
  • , Jian-quan Li
  •  & Sheng-yu Feng

• Article
  28 September 2017 | Open Access

  The Quasi-Coarse-Grained Dynamics Method to Unravel the Mesoscale Evolution of Defects/Damage during Shock Loading and Spall Failure of Polycrystalline Al Microstructures

  • Garvit Agarwal
  • , Ramakrishna R. Valisetty
  •  & Avinash M. Dongare

• Article
  27 September 2017 | Open Access

  Compositionally Graded Multilayer Ceramic Capacitors

  • Hyun-Cheol Song
  • , Jie E. Zhou
  •  & Shashank Priya

• Article
  21 September 2017 | Open Access

  Microfluidic manipulation of magnetic flux domains in type-I superconductors: droplet formation, fusion and fission

  • G. R. Berdiyorov
  • , M. V. Milošević
  •  & D. Domínguez

• Article
  29 August 2017 | Open Access

  Role of ultrasonic treatment, inoculation and solute in the grain refinement of commercial purity aluminium

  • G. Wang
  • , Q. Wang
  •  & D. H. StJohn

• Article
  14 August 2017 | Open Access

  Exactly solvable model for a velocity jump observed in crack propagation in viscoelastic solids

  • Naoyuki Sakumichi
  •  & Ko Okumura

• Article
  31 July 2017 | Open Access

  Control of pattern formation during phase separation initiated by a propagated trigger

  • Rei Kurita

• Article
  12 July 2017 | Open Access

  Numerical Simulations of Directed Self-Assembly in Diblock Copolymer Films using Zone Annealing and Pattern Templating

  • Joseph D. Hill
  •  & Paul C. Millett

• Article
  07 June 2017 | Open Access

  Experiment-based modelling of grain boundary β-phase (Mg₂Al₃) evolution during sensitisation of aluminium alloy AA5083

  • R. Zhang
  • , M. A. Steiner
  •  & N. Birbilis

• Article
  27 April 2017 | Open Access

  Eigenvector Centrality is a Metric of Elastomer Modulus, Heterogeneity, and Damage

  • P. M. Welch
  •  & C. F. Welch

• Article
  14 March 2017 | Open Access

  Glassy dynamics of nanoparticles in semiflexible ring polymer nanocomposite melts

  • Xiaolin Zhou
  • , Yangwei Jiang
  •  & Linxi Zhang

• Article
  22 December 2016 | Open Access

  Kink pair production and dislocation motion

  • S. P. Fitzgerald