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Department of Materials Science and Engineering (MSE)
Jones Research Lab

Research

Pushing Boundaries in Atomic Structure: Innovative Methods and Interdisciplinary Solutions for Tomorrow’s Materials

Vision and Mission

The arrangement of atoms underpins the performance of materials for applications across aerospace, medical, and consumer electronics. Crystallography, the science of identifying atomic arrangements in matter, has historically transformed society, from DNA discovery to carbon nanomaterials. Our research program focuses on advancing crystallographic methods and applying them to pressing materials challenges. Two central goals guide our work:

very-powerful-magnifying-glass
  • Developing new crystallographic methods broadly used in structural sciences.
  • Extracting new physical insights from representative experiments and materials that advance domain-specific problems.

Our outputs include both the methods (tools, algorithms, approaches) and the discoveries (new materials, insights) that shape scientific inquiry.

Piezoelectric Materials

Our group researches the atomic- to micro-scale structural evolution of piezoelectric materials under dynamic electric fields. These materials convert mechanical energy to electric energy and assist microelectromechanical systems (MEMS), energy harvesting devices, piezotronics, and ultrasound technology. Piezoelectric materials feature complex crystal structures from chemical and positional disorder combined with atomic displacements. With X-ray diffraction techniques at synchrotron sources, we reveal how electric-field-driven mechanisms, such as mobile ferroelectric/ferroelastic domain walls interact with defect centers, governing their performance. Our contributions provide critical insights into how grain size and domain wall motion influence classical piezoelectric properties, laying the foundation for improved device functionality.

Abstract View of Piezoelectric Crystals Generating Electricity

Lead-Free Piezoelectric Materials

Recognizing the environmental and health challenges posed by lead-containing materials, our research explores lead-free piezoelectric compounds that comply with new European regulations while maintaining useful functional properties. We have made significant strides in elucidating the complex atomic structures of promising lead-free materials such as Na₁/₂Bi₁/₂TiO₃ (NBT) through combined neutron, X-ray, and electron scattering studies. One notable achievement includes developing advanced total scattering analysis methods that reveal how specific cations respond to electric fields at the atomic scale: insights critical for optimizing Pb-free piezoelectrics. Our work has been recognized internationally, including leading a comprehensive review on this topic in the MRS Bulletin.

X ray diffraction patterns visualized lattice structures of crystalline solids

Crystallographic Methods/Data Science

Our group is also driving innovation in crystallographic data analysis by integrating modern statistical approaches like Bayesian inference into materials characterization. Traditional methods, such as the decades-old Rietveld refinement technique, have limitations in detecting subtle changes in heterogeneous or multiphase materials. Our novel probabilistic frameworks offer richer, more informative structural descriptions that can identify otherwise hidden features and phase transitions across a variety of materials, including ceramics, structural alloys, and biomaterials. This approach has the potential to revolutionize how researchers interpret diffraction data across disciplines and improve the fidelity of crystallographic investigations.

Energy harvesting from vibrations (piezoelectric systems

Expanding Applications

Beyond piezoelectrics, our research is expanding to address materials challenges spanning energy storage, photocatalysis, flexible electronics, graphene, and water treatment. For instance, through a multidisciplinary collaboration funded by RTI International, we studied nanomaterials capable of recovering valuable nutrients from water sources, contributing to sustainable phosphorus cycles and clean water technologies. By advancing crystallographic methods and applying them to wide-ranging domains, our group is making valuable contributions toward solving grand societal challenges: enabling eco-friendly material development, advancing renewable energy solutions and supporting environmental remediation.

3D illustration cyberpunk AI skyscraper Circuit board. Technology background. Central Computer Processors CPU and GPU conception.
Digital globe with glowing network connections and hexagonal patterns in blue and red

Interdisciplinary Approach

Our research thrives at the intersection of materials science, statistics, mathematics, and engineering.

Engineering Disciplines

Mechanical, chemical, environmental, nuclear, civil

Fundamental Sciences

Computer science, physics and statistics

Beyond Engineering

Partnering with social sciences to advance data science in characterization

Collaborations and National Lab Partnerships

Ross Sozzani, left, and Jacob Jones, study plant samples in the Plant Sciences Building.

Global Collaborations Driving Scientific Innovation

Our research thrives through partnerships with local, national and international collaborators, fostering the free exchange of ideas and broadening our impact. Working closely with U.S. National Laboratories, including Oak Ridge National Laboratory and Argonne National Laboratory, our group conducts cutting-edge neutron and synchrotron X-ray experiments. These collaborations provide immersive, interdisciplinary training experiences that prepare students for leadership while advancing science and technology on a global scale.

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