Dr. Yanwen Zhang is a Professor and Canada Excellence Research Chair in Radiation Impact on Energy and Advanced Technologies at Smith Engineering, Queen's University. She previously held positions at Idaho National Laboratory, Oak Ridge National Laboratory with a faculty appointment at the University of Tennessee, Pacific Northwest National Laboratory, and Uppsala University in Sweden. She earned two PhDs from Lund University (Sweden) and form Beijing Normal University (China).
Dr. Zhang’s research focuses on defect dynamics, ion beam modification and radiation effects, aiming to tailor these processes for targeted complex materials’ functionality and properties. She was the recipient of the 2005 Presidential Early Career Award for Scientists and Engineers, the highest honor bestowed by the U.S. government on outstanding scientists and engineers beginning their independent careers. She directed an Energy Frontier Research Center for Energy Dissipation to Defect Evolution from 2014-2020 to advance the understanding of energy dissipation mechanisms in complex alloys, with ultimate aims to control the evolution of defects in structural materials. Dr. Zhang has over 420 journal articles with close to 14,000 citations and an H-index of 53 based on the Web of Science and over 17,600 citations and an H-index of 62 based on Google Scholar. She has over 100 invited presentations and 65 other presentations at national and international scientific conferences, workshops, research institutions, and universities. Dr. Zhang is a Fellow of American Ceramic Society.
Education and degrees
Lund University, Sweden Docent 2004 Nuclear Physics
Beijing Normal University, China Ph.D. 1999 Materials Science and Engineering
Lund University, Sweden Ph.D. 1998 Nuclear Physics
Beijing Normal University, China M.S. 1993 Materials Science and Engineering
Beijing Normal University, China B.S. 1990 Solid State Physics
Employment
May 2024 – present: Canada Excellence Research Chair in Impact of Radiation in Energy and Advanced Technologies, at Department of Mechanical and Materials Engineering (MME), Smith Engineering, Queen's University.
Nov. 2022 – May 2024: Directorate Fellow, Condensed Matter Physics, Energy and Environment Science & Technology, Idaho National Laboratory (INL).
2010 – Nov. 2022: Distinguished Research and Development (R&D) staff (since 2015), Materials Science and Technology Division, Oak Ridge National Laboratory (ORNL); Joint Faculty in Materials Science and Engineering (MSE), University of Tennessee (UTK). Deputy Director of the UTK Ion Beam Materials Laboratory (http://ibml.utk.edu/), responsible for training students and postdocs and management of routine operations.
2003 – 2010: Staff Scientist/Senior Research Scientist, Pacific Northwest National Laboratory (PNNL).
2000 – 2002: Assistant Professor, Division of Ion Physics, Uppsala University, Sweden.
1999 – 2000: Postdoctoral researcher, Division of Ion Physics, Uppsala University, Sweden.
Dr. Zhang’s research focuses on fundamental and applied aspects of equilibrium and non-equilibrium defect dynamics, ion beam modification and radiation effects in materials, with an emphasis on how energy transport processes can be modified and applied to tailor functionality and properties of complex materials.
Exploring energy transport in materials across various time and length scales, along with nonlinear defect dynamics controlled by chemical disorder at the electronic and atomic levels, paves the way for materials discovery. This research studies the emergence of complex macroscopic phenomena from microscopic interactions, reveals defect states under non-equilibrium conditions, and investigates material behavior under dimensional constraints. Our work not only uncovers the potential of electronic and atomic disorder for enhancing material properties but also drives the development of functional materials through the creation of novel defect states and structures. Additionally, it informs the design of structural materials for advanced nuclear applications. These advancements have broader implications for uncovering exotic material properties and enhancing our understanding of condensed matter physics.
Understanding materials under extreme conditions is essential for societal needs such as energy production, environmental preservation, and national security, offering potential for groundbreaking discoveries. Extreme conditions include high temperature, pressure, radiation, and corrosive environments. Ion bombardment induces localized extremes, affecting electronic and atomic structures. This process generates defects, alters energy barriers, and enhances diffusion. Uncovering, predicting, and ultimately controlling energy transport and the response to external perturbations (e.g., radiation, mechanical loading) in crystalline structures are grand challenges across diverse fields in materials science and critical to many energy-related technologies. To design better materials to meet societal needs, an in-depth understanding of the underlying physics and chemistry of simple and complex systems at the level of electrons and atoms, beyond the typically decoupled studies, is essential. Some specific research directions are outlined below.
The role of electrons in damage evolution and structural deformation in ceramics and alloys The complexity of the electronic and atomic structures can bring materials to extreme and often transient regimes where practical experience and fundamental knowledge are limited. Extreme disturbances can lead to unexpected material behavior, posing challenges for accurate predictions. Modifying material composition, especially in high-entropy ceramics (HECs, such as high-entropy borides, carbides, nitrides, and oxides) and high-entropy alloys (HEAs), offers unprecedented tunability of transformative responses. Lattice strains resulting from random elemental occupations are influenced by local electronic deformability, impacting defect formation and migration energies. Radiation studies in ceramics reveal varied responses due to the interplay between short-range covalent and long-range ionic forces. While metallic bonding in transition-metal alloys is conventionally described as positively charged nuclei surrounded by a cloud of valence electrons, recent studies have highlighted the presence of directional bonding and valence charge redistribution. Nonetheless, our understanding of ionization effects remains limited. These limitations underscore the need for further research to uncover new insights and opportunities for discovery.
Complex Materials with Mixed Chemical Bonds under Irradiation Radiation effects on materials have been extensively studied, revealing diverse responses to defect production and damage accumulation. For example, similar oxides can display contrasting radiation performance, suggesting the importance of balancing short-range covalent and long-range ionic forces to resist amorphization. While debated, findings indicate that short-range covalently bonded semiconductors readily amorphized, whereas metals and metal alloys with long-range metallic bonding tend to resist it. However, the distinction between chemical bonds is less clear in complex materials. Our research focuses on bond characteristics and electronic deformability in ionically/covalently bonded ceramics with multiple cation substitutions, as well as in complex concentrated alloys (CSAs) or HEAs. Through modeling and experimental methods, we aim to uncover fundamental insights into materials with mixed bonding characteristics under irradiation.
Tunable chemical disorder in complex metallic alloys to tailor radiation performance The microstructural changes observed in conventional alloys under radiation over the past half-century are consequences of complex interactions. While some alloys outperform metal counterparts in radiation resistance, understanding the underlying mechanisms at the most fundamental level (electrons and atoms) remains incomplete. CSAs exhibit intricate chemical disorder, offering a range of tunable characteristics. Modifying defect dynamics by tuning chemical disorder under non-equilibrium conditions leads to improved understanding of cascade evolution mechanisms, damage processes, and radiation energy dissipation. The impacts of differences in valence electron counts, electronic structures, magnetic moments, atomic volume, and mass can be assessed by controlling irradiation conditions. Leveraging accumulated knowledge from traditional alloys and recent advances in additive manufacturing is driving significant breakthroughs. Developing advanced alloys that depend on both chemical disorder and precisely engineered microstructures for specific properties represents a critical frontier in alloy development.
Tunable chemical disorder in high entropy borides, carbides and nitrides to tailor materials’ property and radiation performance Insights into the complex electronic and atomic interactions under extreme energy deposition enable the design of radiation-tolerant materials and prediction of performance in harsh environments. Thus, understanding the role of tunable chemical disorder on radiation effects and mechanical properties in high-entropy borides, carbides, and nitrides, as well as mixed compositions, is essential. This knowledge will expand our ability to design materials and predict performance in severe radiation environments encountered in next generation nuclear applications, high-energy accelerators, and space exploration, as well as pave the way to better control fundamental processes and design new material functionalities for advanced technologies.
Understanding defect dynamics in complex alloys to link strong mechanical strength, superior radiation performance, and/or greater superconducting properties Research on structural and concentrated alloys has primarily focused on phase stability and mechanical properties, with less attention given to their dynamic responses under radiation-induced nonequilibrium conditions. Mechanical strength in many alloys is linked to dislocation properties, influenced by bond switching and dynamic crack propagation. In CSAs containing various 3d transition metals, bond distortion and breaking are affected by d-band filling and lattice symmetry. CSAs with significant differences in electronegativity may exhibit enhanced radiation performance and superconductivity. However, the mechanisms underlying these phenomena are not fully understood. Electronic and magnetic contributions to defect production and solid-solution strength in CSAs composed of different TMs remain unclear. Understanding defect dynamics in complex alloys may elucidate their mechanical strength, radiation resistance, and superconducting properties.
Scientific understanding and technical advances often go hand-in-hand in developing semiconductors and functional materials. Current knowledge of dopant activation, defect production, and microstructure evolution in functional ceramics and ultra-wide-bandgap semiconductors under ionizing irradiation is in its infancy. A unified understanding of underlying mechanisms, especially in utilizing ion–electron collisions and extreme ionization to modify functionality, remains lacking. Research in this direction can initiate industrial-academic collaborations.
Greater device performance via thermal equilibrium and athermal nonequilibrium processes Ultra-wide-bandgap oxides and conventional wide-bandgap semiconductors are promising candidates for power electronics, optoelectronics, and electronic devices for harsh environment applications (e.g., nuclear, high-energy physics experiments, and space applications). While we have worked on Si, GaAs, InP, and SiC semiconductors in the past, the current effort aims to understand damage production and evolution mechanisms and dopant behaviors in wide-bandgap materials and to unravel the intricate correlations between atoms and electrons by altering bandgap and covalent/ionic characteristics. The significant implications include the use of non-equilibrium ion beam techniques to eliminate damage from implantation doping in advanced device fabrication processes, to develop ion beam processing as a key enabling tool for wide-bandgap semiconductor technology, and to functionalize thin films or surfaces.
Functionalities modification via nonequilibrium processes Historically, the focus has been on separate aspects of energy processes, such as nuclear energy deposition and electronic energy deposition. However, recent advancements have highlighted the importance of understanding the varying roles of spatial and temporal processes in the response of functional materials to energy deposition and transfer. This understanding is essential for developing new materials based on novel defect states and structures far from equilibrium. By controlling and exploiting nonequilibrium electronic and atomic interactions, promising advancements can be made in energy and information-related technologies. Our goal is to understand functionalities modification by charged particle-induced nonequilibrium processes, utilizing ionizing ion and electron beams to reorder or amorphize the local atomic arrangement. Through simulations and experiments varying nuclear energy loss, electronic energy loss, and the electronic-to-nuclear energy loss ratio, we aim to investigate and understand athermal effects. The insights facilitate the application of guided ionizing beams to nanopatterning of functional phases with atomic precision and engineering of complex interfaces.
Improved x-ray, gamma, and neutron detectors are essential for various fields, including national security, medical, and nuclear physics applications. However, progress on scintillator detectors has been slow due to limited understanding of nonproportionality, energy transport, and energy resolution. Conventional methods focusing solely on studying nonproportionality across different materials are unlikely to break through current knowledge barriers and discover new or advanced scintillator materials. A novel approach involves studying scintillation response to ion excitation across various ion energies and densities in various scintillators. By leveraging advanced film deposition or crystal growth techniques and ion-solid interactions, this research aims to predict scintillation performance. Using thin films/crystals and ion-induced modification or dopant implantation, we will identify and quantify contributions to nonproportionality and light yield. This approach, combined with theory/modeling, seeks to develop a predictive model for nonproportional response, facilitating accelerated and efficient detector material discovery while advancing our understanding of scintillation physics.
Dr. Zhang has authored or co-authored over 420 refereed journal articles and 9 book chapters, and served as the editor of 1 book. Her work has garnered close to 14,000 citations and an H-index of 53 according to the Web of Science, and over 17,600 citations with an H-index of 62 based on Google Scholar. A comprehensive list of publications is provided below.
Are you an ambitious and passionate student eager to pursue a graduate degree? Are you fascinated by the world of materials research? Unlock your potential and contribute to cutting-edge research that shapes the future of materials science!
Dr. Zhang is actively seeking talented individuals at both the Master's and PhD levels, as well as postdoctoral researchers, to join her dynamic research team. We also have a couple of undergraduate research positions. Take the first step towards an exciting academic and research career by joining Dr. Zhang's research group at Queen's University. Please review her publications and explore her research interests in nuclear materials and materials science in general.
Are you a motivated student looking for a unique research opportunity? Join us for an Accelerated Master’s Program project focused on the cutting-edge study of advanced structural alloys, specifically concentrated solid solution alloys (CSAs) and high entropy alloys (HEAs). These materials are known for their superior radiation resistance and structural stability in extreme environments.
Project Opportunity
During this project, you will explore the distinctive properties of CSAs and HEAs, which are formed near the centers of phase diagrams. Unlike dilute alloys found at the corners of phase diagrams, CSAs involve interactions between multiple alloying elements, resulting in unique characteristics. At the electron level, disordered local chemical environments enhance scattering processes, impacting electrical and thermal conductivities. At the atomic level, site-to-site lattice distortion and complex energy landscapes influence defect migration and atomic transport.
You will have the opportunity to use different ion beams to create and measure displacement damage, studying the coupled electronic and atomic effects. Ion beams offer a unique perspective on how pronounced ionization effects alter atomic processes and modify defect dynamics. Historically, ionization effects in metals have been overlooked, but this project aims to investigate their significant impact on strain relaxation, damage recovery, and grain growth in complex alloys.
Through a combination of experiments and simulations, you will gain insights into the complex correlations between energy deposition, dissipation, defect dynamics, and structural stability. The focus will be on understanding how tunable chemical complexity in CSAs can be applied to modify energy dissipation processes and understand associated defect dynamics. This project aims to understand elemental complexity in complex alloys and improve their radiation performance, ultimately leading to a new design paradigm for creating alloys with enhanced radiation tolerance. Join us to contribute to groundbreaking research that could shape the future of advanced structural materials!
Nitride fuels are considered alternatives to traditional oxide fuels due to their higher thermal conductivity and melting points, which can potentially improve the safety and performance of nuclear reactors. The higher densities also enable better reactor performance and higher burnup, as they contain a higher fissile material content per unit volume. Zirconium nitride (ZrN) is often used as a nonradioactive surrogate in studies of nuclear fuel systems because it is expected to exhibit similar irradiation-induced defect behavior to uranium nitride (UN) and thorium nitride (ThN) due to their similar face-centered cubic (fcc) crystal structures and bonding characteristics. Additionally, ZrN is being investigated for use as a coating material for nuclear fuel cladding.
Project Opportunity
In this research effort, we will investigate and evaluate the stability of nanostructured ZrN under ion irradiation utilizing the experimental capability at the Reactor Materials Testing Laboratory (RMTL), together with analytical and modeling techniques within the Nuclear Group. Our research objective is to understand the role of both damage energy and electronic energy loss on the interface stability of both nanocrystalline surrogate nitrides.
It is critically important to understand the coupling of electronic and atomic processes in the intermediate MeV energy regime, where the energies required to displace atoms and induce ionization are both large and comparable. A quantified fundamental understanding of radiation damage processes beyond simplified displacement events is highly desirable. Furthermore, the coupled effects of electronic excitation and atomic collision cascades on grain growth may open up new possibilities for controlling grain sizes to enhance the functionality of nanocrystalline materials.
Today’s technologies rely on an increasingly complex palette of materials, with individual materials made from increasingly complex mixtures of chemical elements. Extreme conditions, such as high temperature, high current, high pressure, and high radiation environments, can push materials from thermal equilibrium to far-from-equilibrium and pose unique challenges in predicting their performance.
Project Opportunity
This project focuses on high-entropy materials (HEMs), which consist of multiple principal elements creating chemical disorder. Understanding how chemical disorder can be utilized to tailor physical properties, enhance or control energy transport, and improve irradiation tolerance is key for advanced technology applications.
More specifically, composition complexity in HEMs gives rise to local chemical disorder and a diverse range of tunable bonding environments that are not typically possible in conventional materials. Substitution disorder is expected to modify defect dynamics and energy dissipation processes. Despite the potential of these materials, there is a lack of systematic studies on the relationship between composition, structure, and properties. Chemical disorder in HEMs and the associated physical properties (e.g., electrical resistivity, thermal conductivity, and thermal expansion) have yet to be fully understood. To reveal the atomic and/or electronic structure responsible for differences in material properties, a detailed characterization of elemental distribution, the accompanying electronic structures, and lattice distortion, as well as the corresponding scattering mechanisms and energy transfer, are crucial in determining the contribution and impact of various alloying elements.
Such knowledge of chemical disorder and element substitution will lead to the design of complex materials with specific functionality and improved performance, thus opening numerous exciting research directions in materials science and offering opportunities for materials discovery.
Nuclear energy, as a reliable baseload power, provides constant and carbon-free electricity. However, understanding radiation effects in materials remains a key challenge for next-generation fission and future fusion energy systems. In a reactor environment, fast neutrons or subsequently produced energetic ions can displace atoms and induce local inelastic thermal spikes. While the displacement of atoms by elastic collisions typically produces a collection of small defects, much of the energy transfer to electrons (e.g., inelastic collisions) can affect atomic mobility and defect recovery. Ion irradiation is a powerful method to simulate these high radiation doses quickly and efficiently, making it an ideal surrogate for neutron irradiation.
Project Opportunity
Ion irradiation can cause nanoscale precipitates to disintegrate or interfaces to become unstable, leading to defects like void formation, phase separation, radiation hardening, and embrittlement. Understanding how these processes work at a microscopic level, especially the interaction between electronic and atomic processes, is critical for assessing and improving material performance. Our research focuses on the microstructural response of nanostructured materials, such as model oxides for nuclear fuels, under ion beam irradiation. We aim to develop a fundamental understanding of radiation damage processes beyond simple displacement events. This involves investigating how electronic energy loss and atomic displacement events contribute to defect production and interface stability in materials like CeO2 and ZrO2.
Are you interested in tackling one of the most challenging and exciting problems in nuclear energy and materials science? Join our research project on developing better radiation-resistant nanomaterials! You will explore the cutting-edge field of ion irradiation, learning how it can simulate the extreme conditions found in nuclear reactors. This project offers the chance to make significant contributions to the future of nuclear energy by enhancing our understanding of radiation effects on nanomaterials at the atomic level.
Radiation can have vastly different effects on materials, even those with similar crystalline structures. Why are some materials resistant to radiation-induced damage while others are not? Studies on radiation effects highlight the interplay between different bond types. For example, oxides with the same crystalline structure can exhibit drastically different radiation performance due to a balance between short-range covalent and long-range ionic forces. Metals and alloys, with their long-range metallic bonds, are even more resistant to amorphization (i.e., the loss of structural order). Traditional views of metallic bonding as a 'sea' of delocalized electrons, are being challenged in alloys composed of multiple transition metals (TMs) by evidence of directional bonds, charge redistribution, and covalent-like behavior. These findings challenge our understanding of bonding in complex materials.
Project Opportunity
At the current stage, understanding the role of bond characteristics—e.g., deviations of atomic coordination, bond direction, strength, and type with the 1st and 2nd nearest neighbors from TM substitutions with and without defects; partial charge transfer or redistribution during collisions; and electronic structure response to cascade events—remains limited. We hypothesize that, in chemically complex materials, the response to radiation is controlled by intrinsic, yet tunable bonding characteristics that, in turn, can be used to tailor damage evolution and affect phase stability.
The goal of this research is to uncover the controlling factors of defect dynamics, damage tolerance, and phase stability in some model materials with mixed bonding types—ranging from covalent to ionic and metallic. By studying these bonds under both thermal equilibrium and far-from-equilibrium conditions, this hypothesis-driven research aims to contribute to designing radiation-resistant materials.
Gallium oxide (Ga₂O₃), an ultra-wide bandgap (UWBG) material known for its high breakdown voltage and thermal stability, is critical for next-generation power electronics and optoelectronic devices. Ion implantation and ion-beam modification are unique tools for doping semiconductors, altering electrical, optical, magnetic, and mechanical properties, inducing phase transformations, and forming nanostructures. Ion-solid interaction processes can enable the tailoring of material properties, making them invaluable for the development of UWBG materials. The recently demonstrated exceptional radiation tolerance of Ga₂O₃ under ion irradiation highlights its potential for innovative ion-beam-based fabrication and manipulation techniques. To harness these capabilities, it is essential to understand how atomic and electronic interactions lead to defect formation, evolution, and annihilation.
Project Opportunity
Our research integrates advanced ion-beam modification and characterization techniques with state-of-the-art atomistic modeling. We will focus on understanding how defects in Ga₂O₃ form, evolve, and influence electronic properties under ion irradiation. By studying radiation response in different Ga₂O₃ polymorphs, we aim to uncover fundamental mechanisms governing defect behavior and develop strategies to control defect dynamics. This includes tuning the balance between defect creation and annihilation under both thermal equilibrium and athermal nonequilibrium conditions.
The insights gained will enable strategies to tailor functional defects and pave the way for novel ion-beam processing techniques that mitigate damage and optimize fabrication processes for UWBG semiconductors. These advancements will support the production of high-performance, radiation-hardened devices, benefiting critical applications, such as power systems and space technologies. The findings will contribute to creating more robust, efficient semiconductors with wide-ranging implications for modern electronic systems.
We are looking for an enthusiastic candidate for postdoctoral position(s) in radiation effects and microstructure characterization of complex alloys and ceramics. This position will be part of the recently $8M funded Impact of Radiation in Energy and Advanced Technologies CANADA EXCELLENCE RESEARCH CHAIRS (CERC) program.
Project Opportunity
This project focuses on radiation effects in high-entropy materials (HEMs). The composition complexity in HEMs gives rise to local chemical disorder and a diverse range of tunable bonding environments not typically possible in conventional materials. Extreme conditions, such as high temperature, current, pressure, and radiation environments, can push materials from thermal equilibrium to far-from-equilibrium states. Substitutional disorders in HEMs are expected to modify defect dynamics and energy dissipation processes, posing unique challenges in predicting their performance. To reveal the atomic and/or electronic structure responsible for differences in material properties, it is crucial to effectively describe elemental distribution, the accompanying electronic structures, and lattice distortion, as well as the corresponding scattering mechanisms and energy transfer processes. Understanding how chemical disorder can be harnessed to tailor physical properties, enhance or control energy transport, and improve irradiation tolerance is key for advanced technological applications. This knowledge of chemical disorder and elemental substitution will enable the design of complex materials with specific functionalities and improved performance, opening numerous exciting research directions in materials science.
The Role
The successful candidates will work closely with the CERC, Prof. Yanwen Zhang to conduct research activities. The activities also include collaboration with other experimentalists and theorists in the Nuclear Materials Group. Working with the PI and a multi-disciplinary team of graduate students, Post-Doctoral Fellows, and senior researchers, the incumbent will have significant opportunities for joint experiment-modeling-theory efforts and publications. This position is part of the Nuclear Materials Group within the Department of Mechanical and Materials Engineering (MME) at Queen’s University.
Duties/Responsibilities:
• Conduct studies of defects, defect processes, and radiation effects in complex materials in a radiation environment.
• Density functional theory (DFT) modeling of bonding characteristics to elucidate the intrinsic nature and strength of bonds between atoms.
• High–throughput DFT calculations & ab initio Modeling to identify stable compositions and defects.
• Advancing modeling techniques to understand short-range disorder, defect formation, and evolution of various radiation-induced damage structures in HEMs.
• Responsible for presenting and reporting research results and publishing scientific results in peer-reviewed journals in a timely manner.
• Self-motivated and working with other team members to maintain a high level of scientific productivity.
• Ensure compliance with environment, safety, health and quality program requirements.
• Maintain strong commitment to the implementation and perpetuation of values and ethics.
QUALIFICATIONS:
• PhD in Materials Science and Engineering or a closely related field with several years of relevant modeling experience; must have completed all degree requirements before starting the appointment and be within 4 years of receiving their Doctorate.
• In-depth knowledge and a minimum of three years of demonstrated experience in modeling radiation effects in metal alloys or ceramics.
• Experience in advanced modeling and data analysis techniques of complex metal alloys and/or ceramics performance under extreme conditions. For example, proficiency in DFT, ab initio molecular dynamics, on-the-fly machine-learning, classical molecular dynamics (MD), and two–temperature MD to achieve detailed insights into material structures at the electronic and atomic level, including bonding characteristics, partial charge transfer and electron redistribution, and potential transient ionization in scenarios far from equilibrium.
• Strong record of productive and creative research demonstrated by publications, both as a lead author and a contributor, in peer-reviewed journals and presentations at scientific conferences.
• Excellent organizational, planning, and time management skills, with adaptability and flexibility. Able to anticipate deadlines, prioritize activities and tasks, and independently set priorities to accomplish multiple tasks within limited timeframes.
• Capable of innovative, independent research with the ability to work collaboratively in a team environment and interact effectively with a broad range of colleagues, both within and outside the Nuclear Materials Group and MME.
• Motivated and safety-conscious, with excellent interpersonal, written, and oral communication skills in English for engaging with an international scientific audience.
We are looking for an enthusiastic candidate for postdoctoral position(s) on modeling defect formation and dynamics in complex alloys and ceramics. This position will be part of the recently $8M funded Impact of Radiation in Energy and Advanced Technologies CANADA EXCELLENCE RESEARCH CHAIRS (CERC) program.
Project Opportunity
This project focuses on radiation effects in high-entropy materials (HEMs). The composition complexity in HEMs gives rise to local chemical disorder and a diverse range of tunable bonding environments not typically possible in conventional materials. Extreme conditions, such as high temperature, current, pressure, and radiation environments, can push materials from thermal equilibrium to far-from-equilibrium states. Substitutional disorders in HEMs are expected to modify defect dynamics and energy dissipation processes, posing unique challenges in predicting their performance. To reveal the atomic and/or electronic structure responsible for differences in material properties, it is crucial to effectively describe elemental distribution, the accompanying electronic structures, and lattice distortion, as well as the corresponding scattering mechanisms and energy transfer processes. Understanding how chemical disorder can be harnessed to tailor physical properties, enhance or control energy transport, and improve irradiation tolerance is key for advanced technological applications. This knowledge of chemical disorder and elemental substitution will enable the design of complex materials with specific functionalities and improved performance, opening numerous exciting research directions in materials science.
The Role
The successful candidates will work closely with the CERC, Prof. Yanwen Zhang to conduct research activities. The activities also include collaboration with other experimentalists and theorists in the Nuclear Materials Group. Working with the PI and a multi-disciplinary team of graduate students, Post-Doctoral Fellows, and senior researchers, the incumbent will have significant opportunities for joint experiment-modeling-theory efforts and publications. This position is part of the Nuclear Materials Group within the Department of Mechanical and Materials Engineering (MME) at Queen’s University.
Duties/Responsibilities:
• Conduct studies of defects, defect processes, and radiation effects in complex materials in a radiation environment.
• Density functional theory (DFT) modeling of bonding characteristics to elucidate the intrinsic nature and strength of bonds between atoms.
• High–throughput DFT calculations & ab initio Modeling to identify stable compositions and defects.
• Advancing modeling techniques to understand short-range disorder, defect formation, and evolution of various radiation-induced damage structures in HEMs.
• Responsible for presenting and reporting research results and publishing scientific results in peer-reviewed journals in a timely manner.
• Self-motivated and working with other team members to maintain a high level of scientific productivity.
• Ensure compliance with environment, safety, health and quality program requirements.
• Maintain strong commitment to the implementation and perpetuation of values and ethics.
QUALIFICATIONS:
• PhD in Materials Science and Engineering or a closely related field with several years of relevant modeling experience; must have completed all degree requirements before starting the appointment and be within 4 years of receiving their Doctorate.
• In-depth knowledge and a minimum of three years of demonstrated experience in modeling radiation effects in metal alloys or ceramics.
• Experience in advanced modeling and data analysis techniques of complex metal alloys and/or ceramics performance under extreme conditions. For example, proficiency in DFT, ab initio molecular dynamics, on-the-fly machine-learning, classical molecular dynamics (MD), and two–temperature MD to achieve detailed insights into material structures at the electronic and atomic level, including bonding characteristics, partial charge transfer and electron redistribution, and potential transient ionization in scenarios far from equilibrium.
• Strong record of productive and creative research demonstrated by publications, both as a lead author and a contributor, in peer-reviewed journals and presentations at scientific conferences.
• Excellent organizational, planning, and time management skills, with adaptability and flexibility. Able to anticipate deadlines, prioritize activities and tasks, and independently set priorities to accomplish multiple tasks within limited timeframes.
• Capable of innovative, independent research with the ability to work collaboratively in a team environment and interact effectively with a broad range of colleagues, both within and outside the Nuclear Materials Group and MME.
• Motivated and safety-conscious, with excellent interpersonal, written, and oral communication skills in English for engaging with an international scientific audience.