Publications

Displaying 1 - 25 of 83

A Controlled Vocabulary and Metadata Schema for Materials Science Data Discovery

April 29, 2021

Author(s)

Andrea M. Medina-Smith, Chandler Becker, Raymond L. Plante, Laura Bartolo, Alden A. Dima, James Warren, Robert Hanisch

The International Materials Resource Registries (IMRR) working group of the Research Data Alliance (RDA) was created to spur initial development of a federated

Materials Data: a Landscape Analysis and Potential Roadmap for the NIST Material Measurement Laboratory

April 1, 2021

Author(s)

Debra Kaiser, Robert Hanisch, James Warren, Zachary Trautt

In the past decade, numerous public and private sector documents have highlighted the need for materials data to facilitate advanced technologies in myriad

Phase Field Benchmark Problems Targeting Fluid Flow and Electrochemistry

January 28, 2020

Author(s)

Andrea Jokisaari, Wenkun Wu, P W. Voorhees, Jonathan E. Guyer, James A. Warren, Olle G. Heinonen

In this work, a third set of benchmark problems for phase field models are presented. These problems are being jointly developed by the Center for Hierarchical

PFHub: The Phase-Field Community Hub

April 17, 2019

Author(s)

Daniel Wheeler, Trevor Keller, Jonathan E. Guyer, James A. Warren, Stephen DeWitt, Andrea Jokisaari, Daniel Schwen, Larry Aagesen, Olle Heinonen, Michael Tonks, Peter Voorhees

An online portal provides a valuable space for scientific communities to summarize a shared challenge, collect attempts at a solution, and present a

Self-consistent modeling of anisotropic interfaces and missing orientations: Derivation from phase-field crystal

August 20, 2018

Author(s)

Nana Ofori Opoku, James A. Warren, P W. Voorhees

Highly anisotropic interfaces play an important role in the development of material microstructure. Using the diffusive atomistic phase-field crystal (PFC)

Phase Field Benchmark Problems for Dendritic Growth and Linear Elasticity

June 15, 2018

Author(s)

Andrea Jokisaari, P W. Voorhees, Jonathan E. Guyer, James A. Warren, O. G. Heinonen

We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Design (CHiMaD) and the

Microstructure Knowledge Systems for Capturing Process-Structure Evolution Linkages

June 14, 2017

Author(s)

James A. Warren, Daniel Wheeler, David Brough, Surya Kalidindi

This paper develops and demonstrates a novel data science framework for capturing and communicating critical information regarding the evolution of material

Benchmark Problems for Phase Field Modeling

January 2, 2017

Author(s)

Andrea Jokisaari, P W. Voorhees, Jonathan E. Guyer, James A. Warren, O. G. Heinonen

We present the first set of benchmark problems for phase field models that are being devel- oped by the Center for Heirarchical Materials Design (CHiMaD) and

An Informatics Infrastructure for the Materials Genome Initiative

July 6, 2016

Author(s)

Alden A. Dima, Sunil K. Bhaskarla, Chandler A. Becker, Mary C. Brady, Carelyn E. Campbell, Philippe J. Dessauw, Robert J. Hanisch, Ursula R. Kattner, Kenneth G. Kroenlein, Adele P. Peskin, Raymond L. Plante, Guillaume Sousa Amaral, Zachary T. Trautt, James A. Warren, Sharief S. Youssef, Sheng Yen Li, Pierre Francois Rigodiat, Marcus W. Newrock

A materials data infrastructure that enables the sharing and transformation of a wide range of materials data is an essential part of achieving the goals of the

Diff use interface methods for modeling drug eluting stent coatings

July 17, 2015

Author(s)

James A. Warren, David Saylor, Christopher Forrey, Changsoo Kim

An overview of diff use interface models specific to drug eluting stent coatings is presented. Microscale heterogeneities, both in the coating and use

The strong influence of internal stresses on the nucleation of a nanosized, deeply undercooled melt at a solid-solid interface

April 17, 2015

Author(s)

Kasra Momeni, Valery I. Levitas, James A. Warren

The effect of elastic energy on nucleation and disappearance of a nanometer size intermediate melt (IM) region at a solid-solid (S1S2) interface at temperatures

Workshop Summary: Materials Genome Initiative: Materials Data

January 22, 2015

Author(s)

James A. Warren

A key objective for the Materials Genome Initiative (MGI) is access to digital materials data. Access may be for an individual, a team, company, or an entire

Irreversible thermodynamics of creep in crystalline solids

November 15, 2013

Author(s)

Yuri Mishin, James A. Warren, Robert F. Sekerka, William J. Boettinger

We develop an irreversible thermodynamics framework for the description of creep deformation in crystalline solids by mechanisms that involve vacancy diffusion

Workshop Report: Building the Materials Innovation Infrastructure: Data and Standards A Materials Genome Initiative Workshop

November 23, 2012

Author(s)

James A. Warren, Ronald F. Boisvert

The Materials Genome Initiative (MGI) is a multi-agency, multi-stakeholder effort to develop the infrastructure needed to enable the materials science community

A diffuse-interface Model of Reactive Wetting with Intermetallic Formation

May 1, 2012

Author(s)

Walter Villaneuva, William J. Boettinger, Geoffrey B. McFadden, James A. Warren

A diffuse-interface model of reactive wetting with intermetallic formation is developed that incorporates fluid flow, phase change, and solute diffusion. The

The Effect of Substrate Material on Silver Nanoparticle Antimicrobial Efficacy

December 1, 2010

Author(s)

Benita Dair, Dave M. Saylor, T. E. Cargal, Grace R. French, Kristen M. Kennedy, Rachel S. Casas, Jonathan E. Guyer, James A. Warren, Steven K. Pollack

With the advent of Nanotechnology, silver nanoparticles increasingly are being used in coatings, especially in medical device applications, to capitalize on

Effect of Phase Change and Solute Diffusion on Spreading on a Dissolving Substrate

October 1, 2010

Author(s)

Walter Villanueva, William J. Boettinger, James A. Warren, Gustav Amberg

Dissolutive wetting is investigated numerically using a diffuse-interface model that incorporates fluid flow, solute diffusion, and phase change. A range of

Predicting Microstructure Development During Casting of Drug Eluting Coatings

September 19, 2010

Author(s)

David M. Saylor, Jonathan E. Guyer, Daniel Wheeler, James A. Warren

We have devised a novel diﬀuse interface formulation to model the development of chem- ical and physical inhomogeneities, i.e. microstructure, during the

Modeling Reactive Wetting when Inertial Effects are Dominant

June 30, 2010

Author(s)

Daniel Wheeler, James A. Warren, William J. Boettinger

Recent experimental studies of molten metal droplets wetting and spreading on high temperature reactive substrates have established that the majority of triple

A Multicomponent and Multiphase Model of Reactive Wetting

June 4, 2010

Author(s)

Walter Villanueva, William J. Boettinger, Geoffrey B. McFadden, James A. Warren

A diffuse-interface model of reactive wetting with intermetallic formation is presented. The model incorporates fluid flow, solute diffusion, and phase change

Modeling Solvent Evaporation During the Manufacture of Controlled Drug Release Coatings and the Impact on Release Kinetics

August 1, 2009

Author(s)

James A. Warren, D M. Saylor, Martin McDermott, D Patwardhan, Chang-Soo Kim

To improve functionality and performance, controlled drug release coatings comprised of drug and polymer are integrated with traditional medical devices, e.g

Grain boundaries exhibit the dynamics of glass-forming liquids

May 12, 2009

Author(s)

James A. Warren, Jack F. Douglas, Xuhang Tong, David J. Srolovitz

Polycrystalline materials are composites of crystalline particles or grains separated by thin amorphous grain boundaries (GBs). Although GBs have been

FiPy: PDEs in Python

February 23, 2009

Author(s)

Jonathan E. Guyer, Daniel Wheeler, James A. Warren

Partial differential nist-equations (PDEs) are ubiquitous to the mathematical description of physical phenomena. They describe the relationships between

Modeling Microstructure Development and Release Kinetics in Controlled Drug Release Coatings.

January 11, 2009

Author(s)

D M. Saylor, James A. Warren

Phase Field Approach to Heterogeneous Crystal Nucleation in Alloys

January 11, 2009

Author(s)

James A. Warren, T Pusztai, L Kornyei, L Granasy

We extend the phase field model of heterogeneous crystal nucleation developed recently [L. Granasy, T. Pusztai, D. Saylor, and J. A. Warren, Phys. Rev. Lett. 98

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