Andrea Giuntoli
Northwestern University
Elasticity (economics)Amorphous metalLiquid crystalDissipationStarsBond lengthChemical physicsComposite materialEpoxyThin filmDegree of polymerizationMaterials scienceCrystallizationCondensed matter physicsLayer (electronics)Ballistic impactStar polymerShear modulusSubstrate (electronics)Relaxation (NMR)CrystallinityProjectilePolymerMolecular dynamicsDynamics (mechanics)AnisotropyThermodynamicsScaling
18Publications
4H-index
52Citations
Publications 16
Newest
#1Andrea GiuntoliH-Index: 4
#2Nitin K. HansogeH-Index: 4
Last. Sinan KetenH-Index: 34
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A persistent challenge in predictive molecular modeling of thermoset polymers is to capture the effects of chemical composition and degree of crosslinking (DC) on dynamical and mechanical properties with high computational efficiency. We established a new coarse-graining (CG) approach that combines the energy renormalization method with Gaussian process surrogate models of the molecular dynamics simulations. This allows a machine-learning informed functional calibration of DC-dependent CG force ...
#1Nitin K. Hansoge (NU: Northwestern University)H-Index: 4
#2Agam Gupta (NU: Northwestern University)
Last. Sinan Keten (NU: Northwestern University)H-Index: 34
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Understanding the interactions between polymer-grafted nanoparticles is imperative to predict the macroscale mechanical properties of the nanocomposites they form. Molecular dynamics simulations ca...
1 CitationsSource
#1Andrea Giuntoli (NU: Northwestern University)H-Index: 4
#2Nitin K. Hansoge (NU: Northwestern University)H-Index: 4
Last. Sinan Keten (NU: Northwestern University)H-Index: 34
view all 3 authors...
Abstract Polymeric films with greater impact and ballistic resistance are highly desired for numerous applications, but molecular configurations that best address this need remain subject to debate. We study the resistance to ballistic impact of thin polymer films using coarse-grained molecular dynamics simulations, investigating melts of linear polymer chains and star polymers with varying number ( 2 ≤ f ≤ 16 ) and degree of polymerization ( 10 ≤ M ≤ 50 ) of the arms. We show that increasing th...
1 CitationsSource
#1Andrea Giuntoli (Wesleyan University)H-Index: 4
#2Francesco Puosi (UniPi: University of Pisa)H-Index: 16
Last. Jack F. Douglas (NIST: National Institute of Standards and Technology)H-Index: 91
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We examine the influence of steady shear on structural relaxation in a simulated coarse-grained unentangled polymer melt over a wide range of temperature and shear rates. Shear is found to progressively suppress the α-relaxation process observed in the intermediate scattering function, leading ultimately to a purely inertially dominated β-relaxation at high shear rates, a trend similar to increasing temperature. On the basis of a scaling argument emphasizing dynamic heterogeneity in cooled liqui...
10 CitationsSource
#1Andrea GiuntoliH-Index: 4
#2Zhaoxu MengH-Index: 13
Last. Sinan KetenH-Index: 34
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#1Andrea Giuntoli (Wesleyan University)H-Index: 4
#2Alexandros Chremos (NIST: National Institute of Standards and Technology)H-Index: 1
Last. Jack F. Douglas (NIST: National Institute of Standards and Technology)H-Index: 91
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We investigate how varying molecular topology of polymers influences crystallization in thin polymer films. In particular, we simulate linear and star polymers of fixed mass having a progressively increasing number of arms (f ≤ 16) in a system where the linear polymer exhibits crystallization in a thin film geometry, but no apparent crystallization in the corresponding bulk material. The degree of crystallization of the polymer film at long times decreases progressively with increasing f, and no...
2 CitationsSource
#1Antonio Tripodo (UniPi: University of Pisa)H-Index: 4
#2Andrea Giuntoli (UniPi: University of Pisa)H-Index: 4
Last. Dino Leporini (UniPi: University of Pisa)H-Index: 26
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The dynamical spatial correlations detected by the mutual information (MI) in the isoconfigurational particle displacements of a monodisperse molecular viscous liquid are studied via molecular-dynamics simulations by changing considerably both the molecular mobility and the degree of dynamical heterogeneity. Different from atomic liquids, the MI correlation length does not grow on approaching the glass transition by considering the liquid both in full detail as a collection of monomers and as a ...
1 CitationsSource
#1Nicola CalonaciH-Index: 2
#2Andrea GiuntoliH-Index: 4
Last. Dino Leporini (UniPi: University of Pisa)H-Index: 26
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The relation between elasticity and yielding is investigated in a model polymer solid by Molecular-Dynamics simulations. By changing the bending stiffness of the chain and the bond length, semicrystalline and disordered glassy polymers - both with bond disorder - as well as nematic glassy polymers with bond ordering are obtained. It is found that in systems with bond disorder the ratio Ty/G between the shear yield strength Ty and the shear modulus G is close to the universal value of the atomic ...
3 CitationsSource