2024
Computational modeling of the physical features that influence breast cancer invasion into adipose tissue
Zheng Y, Wang D, Beeghly G, Fischbach C, Shattuck M, O'Hern C. Computational modeling of the physical features that influence breast cancer invasion into adipose tissue. APL Bioengineering 2024, 8: 036104. PMID: 38966325, PMCID: PMC11223776, DOI: 10.1063/5.0209019.Peer-Reviewed Original ResearchBreast cancer invasionCancer cellsMechanical propertiesCancer invasionDiscrete element method simulationsMechanical properties of cancer cellsProperties of cancer cellsElement method simulationsCancer cell invasionAdipose tissueDegree of invasionCohesive spherical particlesBiochemical signalsMethod simulationsCell invasionMaster curveSpherical particlesExtracellular matrixAdipocytesInfluence disease progressionSystem pressureDeformable polyhedronInvasionDe-mixingCellsConnecting polymer collapse and the onset of jamming
Grigas A, Fisher A, Shattuck M, O'Hern C. Connecting polymer collapse and the onset of jamming. Physical Review E 2024, 109: 034406. PMID: 38632799, DOI: 10.1103/physreve.109.034406.Peer-Reviewed Original ResearchStatic packingsMechanical propertiesPolymer packingPacking fractionBead-spring polymersInterior of proteinsInterparticle contactsHigh packing fractionsPolymerAmino acidsDegrees of freedomRepulsive disksQuartic modesPolymer collapseQuartic scalingRepulsive particlesInterparticlePeptide bondPropertiesReference systemPackingParticlesPotential energyExcessive contactModeModeling the Effects of Varying the Ti Concentration on the Mechanical Properties of Cu–Ti Alloys
Fotopoulos V, O’Hern C, Shattuck M, Shluger A. Modeling the Effects of Varying the Ti Concentration on the Mechanical Properties of Cu–Ti Alloys. ACS Omega 2024, 9: 10286-10298. PMID: 38463266, PMCID: PMC10918840, DOI: 10.1021/acsomega.3c07561.Peer-Reviewed Original ResearchModified embedded atom methodDensity functional theoryInclusion of TiMolecular dynamicsTi atomsUniaxial tension deformationPolycrystalline CuDensity functional theory calculationsCu cellsPartial Shockley dislocationsMechanical propertiesGrain boundaries of CuGrain boundariesEmbedded atom methodEngineering of grain boundariesFraction of Ti atomsTensile stressLevel of local deformationLocal charge densityShockley dislocationsFunctional theoryAtom methodUniaxial tensile loadingMD simulationsInteratomic potentials
2019
Jammed packings of 3D superellipsoids with tunable packing fraction, coordination number, and ordering
Yuan Y, VanderWerf K, Shattuck MD, O'Hern CS. Jammed packings of 3D superellipsoids with tunable packing fraction, coordination number, and ordering. Soft Matter 2019, 15: 9751-9761. PMID: 31742301, PMCID: PMC6902436, DOI: 10.1039/c9sm01932d.Peer-Reviewed Original ResearchParticle shape parametersDifferent particle shapesPacking fractionAspect ratio βMechanical propertiesCompression simulationsDilute configurationsNumerical studyStatic packingsParticle shapeSuperellipsoidal particlesIsostatic valueRatio βDense configurationPacking-generation protocolsShape parametersParticlesJammed packingsQuartic modesRedundant contactsConfigurationSuperellipsoidsParametersOrientational orderThe role of deformability in determining the structural and mechanical properties of bubbles and emulsions
Boromand A, Signoriello A, Lowensohn J, Orellana CS, Weeks ER, Ye F, Shattuck MD, O'Hern CS. The role of deformability in determining the structural and mechanical properties of bubbles and emulsions. Soft Matter 2019, 15: 5854-5865. PMID: 31246221, DOI: 10.1039/c9sm00775j.Peer-Reviewed Original Research
2013
Particle-scale reversibility in athermal particulate media below jamming
Schreck CF, Hoy RS, Shattuck MD, O'Hern CS. Particle-scale reversibility in athermal particulate media below jamming. Physical Review E 2013, 88: 052205. PMID: 24329257, DOI: 10.1103/physreve.88.052205.Peer-Reviewed Original Research
2012
Constraints and vibrations in static packings of ellipsoidal particles
Schreck CF, Mailman M, Chakraborty B, O'Hern CS. Constraints and vibrations in static packings of ellipsoidal particles. Physical Review E 2012, 85: 061305. PMID: 23005084, DOI: 10.1103/physreve.85.061305.Peer-Reviewed Original ResearchConceptsStatic packingsEllipsoidal particlesFinite compressionMechanical propertiesStiffness matrixAspect ratioSpherical particlesHarmonic responseNumber of particlesAmorphous packingsParticlesAmplitude δPotential energy scalesMatrixInterparticle separationCompressionVibrationModePackingContact numberContactJamming