This CAREER award supports computational research and education through a computational first-principles-based exploration of magnetocaloric, electrocaloric, elastocaloric, and multicaloric effects in a wide range of ferroic materials. Caloric effects are associated with a reversible adiabatic change in the temperature under either an application or removal of external fields and may provide the basis for solid-state refrigeration technology - an energy-efficient and environmentally friendly alternative to conventional refrigeration. In recent years interest in caloric effects in solids has dramatically increased, thanks to the discoveries of giant caloric effects in some materials as well as the elevated interest in energy-converting and energy-renewable materials. However, fundamental understanding of the mechanisms and interactions underlying giant caloric responses is limited. The ultimate goal of this project is to reach a fundamental understanding of caloric effects in ferroic materials through a multiscale modeling approach. To reach this goal, the PI will 1. develop a multiscale computational tool that allows accurate simulations of caloric responses in a variety of ferroics and across a span of length-scales; 2. carry out comprehensive research on electrocaloric, magnetocaloric and elastocaloric effects in various ferroics; 3. utilize the materials-specific multiscale computational tools to work towards designing and predicting materials with enhanced caloric responses.
The research will be integrated with the education of graduate and undergraduate students as well as an outreach activity with middle school and high school students. The PI will enrich both graduate and undergraduate curriculum through the integration of computational projects in two courses: Computational Physics and Mathematical Methods in Physics. The PI will provide both education and training in computational physics to the graduate students involved in the research. The PI has recently established an outreach program for middle school students. This award supports further growth of the outreach program as well as involvement of graduate students in the program. As part of the program the middle school students will visit the physics department annually as well as host the PI's group in their school. A special feature of the outreach program is the early exposure of students to the exciting world of science.
NONTECHNICAL SUMMARY
The CAREER award supports the computational exploration of how the application of a changing electric field, magnetic field, stress field, or a combination of fields to some materials can lead to a change in temperature. These caloric effects, the electrocaloric, magnetocaloric, elastocaloric, and multicaloric effects respectively are interesting from a fundamental science point of view, and may have applications in solid-state refrigeration technology - an energy-efficient and environmentally friendly alternative to conventional refrigeration. Caloric effects have been known for decades; however, they seemed to be impractical because the observed changes in temperature were small. Recent experiments have demonstrated multiple giant caloric effects requiring a reassessment of the potential of these caloric effects for practical application.
The award supports research aimed to establish the fundamental mechanisms of caloric effects across the scales from the human scale to the scale of atoms. The PI plans to develop a theoretical foundation and the tools for a reliable, fast and inexpensive computer exploration and design of caloric materials. These outcomes may lead to a considerable advance at the frontiers of solid-state refrigeration. The potential applications include but are not limited to compact and portable cooling for sensors and on-chip refrigeration; refrigeration/air conditioning for dwellings and vehicles; and multifunctional magneto-electronic devices. Furthermore, the research on nanoscale ferroic materials may have impact on refrigeration technology through miniaturization of refrigerators, where increased efficiencies, reduced weight and volume, and environmentally friendly refrigerants would greatly benefit society. In conjunction with the research plan, education and outreach activities will be undertaken to achieve timely penetration of research into education, and to inspire a new generation of scientists and engineers: (1) computational research will be integrated into at least two courses; (2) graduate students will be a part of the research; (3) an outreach activity will be performed to educate middle school students about careers in science.
