Center for Hierarchical Materials Design

Predicting the Morphologies of γ’ Precipitates in Cobalt-Based Superalloys

Nov 17, 2017

Jokisaari, Naghavi, Wolverton, Voorhees and Heinonen recently published their research in Acta Materialia, 141, 273 (2017). https://doi.org/10.1016/j.actamat.2017.09.003

Charge Transport in Nanostructured Materials: Implementation and Verification of Constrained Density Functional Theory

Nov 17, 2017

Goldey, Brawand, Vörös and Galli recently published their research in J. Chem. Theory Comput. 13 (6), pp 2581-2590 (2017).

Ultrafast Exciton Dissociation and Long-Lived Charge Separation in a Photovoltaic Pentacene-MoS2 Van Der Waals Heterojunction

Nov 17, 2017

Homan, Sangwan, Balla, Bergeron, Weiss, and Hersam published their research in Nano Letters 17, 164 (2017). DOI: 10.1021/acs.nanolett.6b03704

Small Molecule Acceptor and Polymer Donor Crystallinity and Aggregation Effects on Microstructure Templating: Understanding Photovoltaic Response in Fullerene-Free Solar Cells

Nov 17, 2017

Eastham, Dudnik, Aldrich, Manley, Fauvell, Hartnett, Wasielewski, Chen, Melkonyan, Facchetti, Chang and Marks recently published their research in Chem. Mater. 2017, 29 (10), 4432-4444. DOI:10.1021/acs.chemmater.7b00964.

Coarse-Grained Model of the Dynamics of Electrolyte Solutions

Nov 17, 2017

Andrew, Chremos, de Pablo and Douglas recently published their research in Journal of Physical Chemistry B, 121, 8195-8202 (2017). DOI: 10.1021/acs.jpcb.7b04297

Including Crystal Structure Attributes in Machine Learning Models of Formation Energies Via Voronoi Tessellations

Nov 17, 2017

Ward, Liu, Krishna, Hegde, Agrawal, Choudhary, and Wolverton recently published their research in Phys. Rev. B, 96, 024104 (2017). DOI: 10.1103/PhysRevB.96.024104

Diffusion Coefficients of Transition Metals in FCC Cobalt

Nov 17, 2017

Naghavi, Hegde and Wolverton published their research in Acta Materialia. Volume 132, 15 June 2017, Pages 467–478. DOI:10.1016/j.actamat.2017.04.060

Optimizing the Mechanical Properties of Cellulose Nanopaper Through Surface Energy and Critical Length Scale Considerations

Nov 17, 2017

Qin, Feng, Meng and Keten recently published their research in Cellulose, 1-11. [https://doi.org/10.1007/s10570-017-1367-x].

Lattice Parameter Misfit Evolution During Creep of a Cobalt-Based Superalloy Single Crystal With Cuboidal and Rafted Gamma-Prime Microstructures

Nov 17, 2017

Coakley, Lass, Ma, Frost, Stone, Sideman and Dunand published their research in Acta Materialia 136, 118–125 (2017). doi.org/10.1016/j.actamat.2017.06.025

Truly Electroforming-Free and Low-Energy Memristors with Preconditioned Conductive Tunneling Paths

Nov 17, 2017

Yoon, Zhang, Ren, Wang, Wu., Li, Barnell, Wu, Lauhon, Xia and Yang published their research in Advanced Functional Materials, 27, 1702010 (2017). DOI: 10.1002/adfm.201702010

Anomalous Phase Behavior of Ionic Polymer Blends and Ionic Copolymers

Nov 17, 2017

Pryamitsyn, Kwon, Zwanikken, Olvera de la Cruz published their research in Macromolecules, 50(13):5194- 5207, 2017.

Auxetic Metamaterials From Disordered Networks

Nov 17, 2017

Reid, Pashine, Wozniak, Jaeger, Liu, Nagel and De Pablo published their research in arXiv:1710.02493

Truly Electroforming-Free and Low-Energy Memristors with Preconditioned Conductive Tunneling Paths.

Nov 17, 2017

Yoon, Zhang, Ren, Wang, Wu., Li., Barnell, Wu , Lauhon, Xia and Yang published their findings in Advanced Functional Materials. DOI:10.1002/adfm.201702010

Ferroelectric Transitions in Small Particles

Nov 17, 2017

Umantsev, Astakhov and Rodin published their findings in Ferroelectrics 2017, 515, 101–111 http://dx.doi.org/10.1080/00150193.2017.1367214

Solubility and Interfacial Segregation of Salts in Ternary Polyelectrolyte Blends

Nov 17, 2017

Kwon, Pryamitsyn, Zwanikken, Shull, and De la Cruz published their findings in Soft Matter, 13, 4830–4840 (2017). DOI: 10.1039/C7SM00570A

Propeller-Shaped Acceptors for High-Performance Non-Fullerene Solar Cells: Importance of the Rigidity of Molecular Geometry

Nov 17, 2017

Wu, Zhao, Yang, Sharapov, Cai, Li, Zhang, Neshchadin,Chen and Yu published their findings in Chemistry of Materials 29 (3), 1127-1133.

Multi-Physics Modeling of Single/Multiple-Track Defect Mechanisms in Electron Beam Selective Melting

Nov 17, 2017

Yan, W., Ge, W., Qian, Y., Lin, S., Zhou, B., Liu, W. K., & Wagner, G. J published their findings in Acta Materialia, 134, 324-333(2017). DOI: 10.1016/j.actamat.2017.05.061

Towards a Hybrid Human-Computer Scientific Information Extraction Pipeline

Nov 17, 2017

Tchoua, Chard, Audus, Ward, Lequieu, De Pablo, and Ian Foster published their findings in 2017 IEEE 13th International Conference on e-Science, Oct. 2017.

Predicting the Morphologies of γ’ Precipitates in Cobalt-Based Superalloys

Nov 15, 2017

Jokisaari, Naghavi, Wolverton, Voorhees, and Heinonen published their research in Acta Materiala. DOI: 10.1016/j.actamat.2017.09.003

Atom Probe Tomography Analysis of Ag Doping in 2D Layered Material (PbSe)5(Bi2Se3)3

Dec 1, 2016

Ren, Singh, Fang, Kanatzidis, Tavazza, Davydov, and Lauhon published their findings in Nano Lett., 2016, 16 (10), pp 6064–6069. DOI: 10.1021/acs.nanolett.6b02104

Gel Phase Formation in Dilute Triblock Copolyelectrolyte Complexes

Dec 1, 2016

Srivastava, Andreev, Levi, Goldfeld, Mao, Prabhu, de Pablo and Terrell published their findings in Nature Communications, 7, 14131(2016).DOI: 10.1038/ncomms14131

Analytical Model on Stress-Regulated Lithiation Kinetics and Fracture of Si-C Yolk-Shell Anodes for Lithium-Ion Batteries

Dec 1, 2016

Jia and Liu published their findings in Journal of the Electrochemical Society, 163 (6), A940-A946, (2016) DOI: 10.1149/2.0601606jes

Linking Process, Structure, Property, and Performance for Metal-Based Additive Manufacturing: Computational Approaches with Experimental Support

Dec 1, 2016

Smith, Xiong, Yan, Lin, Cheng, Kafka, Wagner, Jian and Liu published their findings in Computational Mechanics, DOI: 10.1007/s00466-015-1240-4.

Perspective: Evolutionary Design of Granular Media and Block Copolymer Patterns

Dec 1, 2016

H. M. Jaeger and J. J. de Pablo published their research in APL Materials 4, 053209 (2016). DOI:10.1063/1.4948270

Benchmark Problems for Numerical Implementations of Phase Field Modeling

Dec 1, 2016

Jokisaari, Voorhees, J. Guyer, Warren and Heinonen published their findings in Comp. Mat. Sci. 126, 139 (2017)., http://www.sciencedirect.com/science/article/pii/S0927025616304712 (DOI: 10.1016/j.cmmatsci.2016.09.022)

Dielectric Effects on the Ion Distribution Near a Janus Colloid, Soft Matter

Dec 1, 2016

Wu, Han and Luijten published their findings in the Soft Matter 2016. DOI: 10.1039/c6sm01675h

Influence of Ruthenium on Microstructural Evolution in a Model Co-Al-W Superalloy

Dec 1, 2016

Sauza, Bocchini, Dunand, Sideman published their research in Acta Materialia, Volume 117, 15 September 2016, Pages 135-145, ISSN 1359-6454, http://dx.doi.org/10.1016/j.actamat.2016.07.014.

First-principles Co Database: Energetics of Binary Co Alloys and Compounds.

Dec 1, 2016

Naghavi, Hegde, Saboo and Wolverton published their research in Acta Materialia (in press), DOI: 10.1016/j.actamat.2016.10.065

A General-Purpose Machine Learning Framework for Predicting Properties of Inorganic Materials

Dec 1, 2016

Ward, Agrawal, Choudhary and Wolverton published their research in npj Comput. Mater. 2, 16028 (2016). DOI: 10.1038/npjcompumats.2016.28

Characterization and Reconstruction of 3D Stochastic Microstructures Via Supervised Learning

Dec 1, 2016

Bostanabad, Chen and Apley published their research in Journal of Microscopy (2016). DOI: 10.1111/jmi.12441

Perspective: NanoMine: A Material Genome Approach for Polymer Nanocomposites Analysis and Design

Dec 1, 2016

Zhao, He, Xiaolin Li, Yichi Zhang, Linda S. Schadler, Wei Chen, and L. Catherine Brinson published their findings in APL Materials 4, no. 5 (2016): 053204. DOI: 10.1063/1.4943679.

Covalent Functionalization and Passivation of Exfoliated Black Phosphorus Via Aryl Diazonium Chemistry

Dec 1, 2016

Ryder, Wood, Wells, Yang, Jariwala, Marks, Schatz and Hersam published their findings in Nature Chemistry, 8, 597 (2016). DOI:10.1038/nchem.2505

Planarity and Multiple Components Promote Organic Photovoltaic Efficiency by Improving Electronic Transport

Dec 1, 2016

Golden, Reid, de Pablo, and Galli published their findings in Phys. Chem. Chem. Phys., 2016, Advance Article. DOI: 10.1039/C6CP04999K

Covalently Bound Clusters of Alpha-Substituted PDI-Rival Electron Acceptors to Fullerene for Organic Solar Cells

Dec 1, 2016

Wu, Zhao, Schneider, Chen, Yu published their research in Journal of the American Chemical Society, 2016,138 (23), pp 7248–7251 DOI:10.1021/jacs.6b03562.

Bithiophenesulfonamide Building Block for Pi-Conjugated Donor-Acceptor Semi-Conductors

Dec 1, 2016

Melkonyan, Zhao, Drees, Eastham, Leonardi, Butler, Chen, Yu, Chang, Ratner, Facchetti and Marks published their research in J. Am. Chem. Soc. 2016, 138, 6944-6947. DOI: 10.1021/jacs.6b03498.

Dynamics of Vacancies in Two-Dimensional Lennard-Jones Crystals

Jan 15, 2015

Yao and Olvera de la Cruz studied the dynamics of generic n-point vacancies in two-dimensional Lennard-Jones crystals in several thermodynamic states. Their results were recently published in Physical Review E.

A Machine Learning-based Design Representation Method for Designing Heterogeneous Microstructures

Sep 23, 2014

Chen and Choudhary research groups won the Best Paper award at 40th ASME Design Automation Conference with their work.