Development of Self-Healing Materials through Rational Design of Interfaces
EMSL Project ID
46394
Abstract
This research proposal aims to integrate experimental and modeling efforts to advance the fundamental science of interfaces, such as nanoparticle surfaces, to understand the process of self-healing of materials. Self-healing materials have many potential applications and we will cite a few here. First, structural materials in critical applications, such as reactors, spacecraft and bridges, can benefit from self-healing materials. Second, self-healing characteristics will be beneficial in materials for batteries and fuel cells to cope with the demand of charge/discharge cycles. Finally, self-healing of biological tissue can be enhanced by injecting carefully selected nanoparticles that can mop up free radicals and reactive oxygen intermediates that cause cell damage. Since this concept is radical, careful fundamental studies of nanoparticle interfaces processes and toxicity are required. Our proposed work is built on the hypothesis that the evolution of microstructure and chemical/mechanical properties of materials can be controlled by creating tailored interfaces, for instance in the form of dispersed nanoparticles, that can reverse or mitigate damage. We will test this idea by synthesizing and characterizing stand-alone and embedded nanoparticles, and modeling the structure, interfacial chemistry, and damage tolerance of nanoparticles and nanowires using new and unique capabilities in the Environmental Molecular Sciences Laboratory (EMSL). Our research approach couples leadership-class computational methods with unique synthesis and characterization techniques to prepare and examine tailored interfaces in nano-ceramics. The team consists of long-time expert users of EMSL capabilities with expertise in materials synthesis, characterization, and computational materials science. By seeking to understand the interaction of matter and energy at interfaces in multi-component materials, this research directly addresses the EMSL Science Theme “Science of Interfacial Phenomena� in two categories, namely energy production and storage and nanoparticle interactions with biological systems. It is highly relevant to the U. S. Department of Energy (DOE) mission of addressing energy, environmental, and nuclear challenges through transformative science and technology solutions. The results from this work will provide fundamental science underpinnings for the development of novel biomaterials, innovative self-healing shielding for spacecraft, next-generation nuclear reactor materials, and materials for clean energy technologies.
Project Details
Project type
Exploratory Research
Start Date
2011-11-07
End Date
2012-11-11
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Wang Z, Y Zhou, J Bang, MP Prange, S Zhang, and F Gao. 2012. "Modification of Defect Structures in Graphene by Electron Irradiation: Ab Initio Molecular Dynamics Simulations." Journal of Physical Chemistry C 116(30):16070-16079. doi:10.1021/jp303905u
Zhou Y, Z Wang, JL Nie, P Yang, X Sun, MA Khaleel, X Zu, and F Gao. 2012. "Vacancies in fully hydrogenated boron nitride layer: implications for functional nanodevices." Physica Status Solidi. Rapid Research Letters 6(3):105-107. doi:10.1002/pssr.201105513
Zhou Y, Z Wang, P Yang, and F Gao. 2012. "Novel Electronic and Magnetic Properties of Graphene Nanoflakes in a Boron Nitride Layer." Journal of Physical Chemistry C 116(13):7581–7586. doi:10.1021
Zhou Y, Z Wang, P Yang, X Sun, X Zu, and F Gao. 2012. "Hydrogenated Graphene Nanoflakes: Semiconductor to Half-Metal Transition and Remarkable Large Magnetism." Journal of Physical Chemistry C 116(9):5531–5537. doi:10.1021/jp300164b
Zhou Y, Z Wang, P Yang, X Zu, and F Gao. 2012. "Electronic and Optical Properties of Two-dimensional Covalent Organic Frameworks." Journal of Materials Chemistry 22(33):16964-16970. doi:10.1039/c2jm32321d