Dr. Raj N. Singh's Research
Current Research Projects
The following research projects are being pursued in our research group.
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Materials for Quantum Devices and Systems
Materials for Quantum Devices and Systems
There is a worldwide interest in materials for the quantum devices and systems for Quantum Computing, Spintronics, Magnetic Field Sensing, Encryption, and Biolabeling/Transduction. Diamond is a promising material for the quantum systems because it is a fascinating due to its wide band gap, optical transparency, and high thermal conductivity rendering it an ideal wide band gap semiconductor for quantum electronics and optical devices useful for ambient and extreme conditions of high temperature and neutron irradiation. Compared to the many other materials useful for quantum devices, Diamond is unique because it can be used at room temperatures unlike other requiring very low temperatures close to liquid Helium.. Specifically, diamond has nitrogen-vacancy (N-V) defect centers with unusual characteristics making it attractive for these unique applications. One can control by microwave, optical signal, electric and magnetic fields the qubit states in N-V centers for quantum network, quantum memory and quantum sensing. The state-of-the-art has used diamond thin films or bulk crystals containing N-V defects that are unsuited for wide-spread use because defect centers are randomly distributed and cannot be individually addressed for these novel applications. Our research is focused on processing and manufacturing of diamond films and crystals containing N-V defects created in situ by Microwave Plasma Enhanced Chemical Vapor Deposition (MPECVD), and characterization of the N-V defects by several advanced materials characterization techniques such as SEM, HRTEM, Raman and PL spectroscopies, and Optically Detected Magnetic Resonance (ODMR.
Figure Showing successful formation on N-V defects in Diamond by MPECVD.
Fig. 1. PL spectrum from a diamond single crystal after MPECVD diamond deposition for in situ doping by nitrogen Both NV0 and NV- centers are formed and present.
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Nanostructured Materials
Diamond thin films, Boron Nitride Nanotube (BNNT)
In addition, we are engaged in the synthesis and applications of Boron Nitride Nanotubes (BNNTs). In contrast to CNTs, boron nitride nanostructured materials, a III-V compound with similar hexagonal structure to graphite, have more uniform electronic properties with a larger band gap (~5.8eV) and are transparent. The primary objective of this project is to perform a fundamental research to synthesize Boron Nitride Nanotube (BNNT) with interconnected 3D networks with excellent, controllable, and predictable electrical properties useful for fabricating electronic devices for sensing/detecting chemical species at room and high temperatures. Instead of the aligned 1D architecture, the BNNTs with novel 3D truss-like network architectures are easier to handle, cost-effective, and expected to impart their unique 1D properties into 3D thereby opening new possibilities for their applications in nanoelectronics, medicine, energy systems, shielding and reinforced-composites.
Poster: High Temperature Electronic Devices Based on Wide Bandgap Thin Films
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BNNTs
We are engaged in the synthesis and applications of Boron Nitride Nanotubes (BNNTs). In contrast to CNTs, boron nitride nanostructured materials, a III-V compound with similar hexagonal structure to graphite, have more uniform electronic properties with a larger band gap (~5.8eV) and are transparent. The primary objective of this project is to perform a fundamental research to synthesize Boron Nitride Nanotube (BNNT) with interconnected 3D networks with excellent, controllable, and predictable electrical properties useful for fabricating electronic devices for sensing/detecting chemical species at room and high temperatures. Instead of the aligned 1D architecture, the BNNTs with novel 3D truss-like network architectures are easier to handle, cost-effective, and expected to impart their unique 1D properties into 3D thereby opening new possibilities for their applications in nanoelectronics, medicine, energy systems, shielding and reinforced-composites.
- Thermal Management
Diamond Thin Films for Thermal Management of Electronics
Heat dissipation in high performance microprocessors and power semiconductor devices is a critical challenge facing the microelectronics industry. One of the most effective ways to remove heat from integrated circuits (ICs) is to use materials with high thermal conductivity in contact with ICs. Therefore, a high thermal conductivity material, especially diamond with the highest thermal conductivity of any known materials, is promising for thermal management of ICs. However, only limited attention has been paid to the study of a recent development, viz., nanocrystalline diamond (NCD) for heat dissipation applications, and totally missing is the pursuit of the transformative layered NCD/microcrystalline diamond (MCD) thin films. Smoothness of the NCD and high thermal conductivity of the MCD prompt us to investigate layered NCD/MCD films towards unusual thermal properties for developing cost-effective thermal management solutions. Therefore, the transformative objective of this program is to understand the mechanisms of thermal transport in NCD and layered NCD/MCD thin films and to use NCD and MCD to reduce thermal interface resistance.
Poster: Nanocrystalline Diamond Films for Thermal Management
- Fuel Cells
Electrode, Electrolyte and Self-repairable Sealing Materials for SOFC
Glasses are used as sealing materials in a myriad of technological applications including in energy systems such as seals for Solid Oxide Fuel Cell (SOFC). However, glasses suffer from cracking because of their inherent brittleness when exposed to thermal transients. Recently, our group has advanced and demonstrated the promise of a transformative concept of self-healing/self-repairable glasses as seals for SOFCs. However, a fundamental understanding of the kinetics and mechanism of crack healing in glasses and glass-ceramic composites is currently lacking. In particular, the role of the crystalline ceramic phase in a glass matrix in influencing crack healing behavior is totally unexplored. Therefore, the primary focus of this program is a basic investigation of the crack-healing mechanism and kinetics in promising glass and glass-ceramic composites displaying self-repair in order to further advance this transformative concept of self-repairable seals for SOFCs.
Poster: High Temperature Sealing Material that Self Repairs
Electrode and Electrolytes for SOFCs:
Research is on electrolytes such as scandia-doped zirconia as electrolyte for use in SOFC at lower temperatures and sulfur tolerant anodes. In addition, cathode material of LSF has been investigated. In each of these areas we are engaged in processing and characterization of their electrical properties and performance in SOFCs.
- Energy Storage Materials
Materials for Li-Ion and Na-S Batteries
Li-ion batteries are extensively used in cell phones, computers and are promising for energy storage in automobiles. While these batteries have performed well in portable electronic devices, significant improvements in performance, capacity, cost and life are needed to make these useful for widespread applications in automobiles and energy storage from wind and solar generators. One way to enhance capacity and performance of Li-batteries is to use novel nanostructured materials as promising electrodes and arranging them in such a way as to enhance capacity and performance. We are pursuing these approaches by taking advantage of our expertise in synthesizing nanostructured materials at Oklahoma State University (OSU). Similarly, new cell configurations are being explored to enhance capacity, performance and reduce cost of the Na-S batteries.
- Biomaterials
Nanomaterials for Drug Delivery and Biocompatibility/functionality
Biomaterials are extensively used in medical devices and systems. There is also enhanced interest in using materials in drug delivery. In particular, applications of nanomaterials for drug delivery are exciding for treating cancer as well as delivering drugs locally for a myriad of medical treatments. We are exploring use of nanoparticles for these possible applications in collaborations with faculty from the OSU-Medical School.
- Composites
High Temperature Ceramic Composites Processing and Properties
Our group has done extensive research and technology developments over the past 25 years related to ceramic matrix composites (CMCs) for applications in high temperature systems such as jet engines and power generation gas turbines. Currently, some of these technologies are being commercialized by industry such as GE. We are engaged in exploring new applications of CMC's in technologies related to Nuclear Reactors and Space Power Systems. The emphasis of research in this area is on processing and high temperature mechanical properties of CMCs.
- Electrical CeramicsPiezoelectric and ferroelectric ceramics such as PZT are exposed to electric field in service, which can lead to degradation by crack growth and aging. Our interest in this area revolves around the study of crack growth by applied electric field and exposure to environment. In addition, new material compositions displaying higher strain capability and displaying electric field-induced phase change are being synthesized and their electrical and electromechanical properties are being explored.
Completed Research Projects
- Processing
Processing and Properties of Nanophase, Transparent and Layered Composites
Materials with nanophase microstructures can have unique electrical, magnetic, tribological, and mechanical properties. Similarly, layered composites are expected to display unique tribological and mechanical properties. However, some of these unique property attributes are either lost or not attainable by conventional processing techniques, which require higher temperatures. This project is exploring the use of electrochemical deposition for synthesizing nanocomposites, layered composites, and fiber-reinforced composites near room temperature. The influence of processing parameters on the microstructure and tribological/mechanical properties is under study.
Reaction-Based Processing of Fiber-Reinforced Ceramic Composites
Processing approaches that lead to dense and net-shape composites are needed for fabricating fiber-reinforced composites in a cost-effective manner because conventional sintering and hot-pressing methods are either not desirable or do not work for fabricating dense composites. Reaction-based processing approaches offer net-shape processing at lower temperatures and without the application of pressures. This project is exploring Si-C and Si-C-Metal reaction-based processing approaches for fabricating SiC composites. In addition, fundamental aspects of reaction kinetics, preform processing, and their influence on the microstructure are being studied. The influence of processing variables on the microstructure and thermal/mechanical properties is also investigated.
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Ferroelectric/Smart Materials
Electromechanical Response of Ferroelectric/Piezoelectric-"Smart" Materials
Ferroelectric/piezoelectric ceramics have the capability of sensing (stresses) and actuating (strains) in response to an electrical or mechanical stimulus. In many of their applications these materials are often subjected to extremes of stresses and electrical fields under which cracks can form and grow leading to failure of components. In this research project, a fundamental study of the influence of mechanical and electrical stresses on the crack formation and propagation is underway which has already demonstrated that the crack propagation can be influenced (enhanced or stopped) by certain type of the applied electric field. This knowledge is being used in designing "Smart" materials that respond in a certain way because of the applied electric field and may display superior reliability in real applications. These studies are being performed on a variety of PZT and electrostrictive PMN-PT ceramics processed in our group.
Study of Field-Induced Phase Transformation in Ferroelectric Ceramics
Ferroelectric ceramic compositions near the morphotropic phase boundary in PLZT system show field-induced antiferroelectric(AFE) to ferroelectric (F) phase change with concomitant enhancement in electrical (dielectric constant) and electromechanical (strain) properties. Interesting properties have been reported in Sn-modified PLZT compositions. Present research is studying modifications to PZT compositions with a variety of cation substitutions and their roles on the phase stability, induced-phase transformations, and electrical properties. Synthesis of dense PZT compositions is being done by powder processing and sintering routes. Studies of induced-phase transformation are accomplished by characterizing structural changes using x-ray diffraction and TEM, and by measuring electrical/electromechanical response.
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High-temperature Electronics and Mems Based on Diamond, C-BN, and Other Wide Band
Gap and Nanostructured Materials
High-Temperature Electronics Based on Diamond and C-BN Thin Films
High temperature electronics has emerged as a very important area because the dominant silicon electronics provides low reliability or fails to function altogether at elevated temperatures. Applications, which depend on high temperature electronics, are not only limited to military systems, but include commercial utilization in air/space travel, automobiles, smog control, geothermal energy, well logging, and nuclear reactor monitoring and control.
The primary objectives of this project are to synthesize and characterize thin films of high resistivity (undoped), and p- and n -doped polycrystalline diamond (PCD) and cubic-boron nitride (c-BN) suitable for the fabrication of high temperature electronic devices, and application/demonstration of these films for the fabrication of high temperature microelectronic devices. The thin films of undoped diamond have been prepared by ECR (Electron Cyclotron Resonance) plasma enhanced chemical vapor deposition (ECR-PECVD) on (100) Si substrates. The influence of different process parameters (e.g., plasma gas composition, substrate temperature, pressure, and plasma density) on the composition, crystal quality, and properties of the PCD and films are being studied. In addition, electrical properties of the films are being determined by resistivity measurements. A plasma etching technique has been applied to open windows through the Si substrate and form capacitors using Mo electrodes for probing C-V and resistivity of the diamond films. This will provide information on the resistivity of the diamond films for fabricating electrical devices. In particular, the following two basic circuits are proposed for investigation: (1) a voltage multiplier stack (VMS) which requires the integration of MSM Schottky diodes with MSM interdigitated capacitors, and (2) an optical bridge of four MSM detectors for DC-to-AC conversion and for driving the voltage multiplier stacks.
- Fiber-Reinforced Composites
Fiber-Matrix Interfacial Properties in Ceramic and Metallic Composites
Fiber-matrix interfaces play a dominant role on the mechanical properties of fiber-reinforced Ceramic- and Metallic-composites. In particular, optimum interfaces are essential for toughening composites via fiber-bridging and pullout mechanisms. This research is aimed at measuring mechanical and morphological characteristics of fiber-matrix interfaces using fiber pushout tests and high-resolution TEM. In addition, the influence of fiber coatings, surface roughness, and expansion mismatch in modifying interfacial properties are studied. Another objective of this research is to relate interfacial characteristics to mechanical response of composites.
Role of Interfacial Properties on Mechanical Behavior of Ceramic Composites
Changes in interfacial properties can influence matrix cracking strength, ultimate strength, and toughness of ceramic composites. In addition, interfaces play a dominant role on the crack-fiber interaction and consequently toughening potentials of ceramic composites. In one aspect of this research, the influence of changes in interfacial properties on the first-matrix cracking stress is being studied, and in another aspect the influence of crack size in the matrix on the matrix cracking strength is under study (steady state vs. non-steady state). Also, under study are the micro-scale observations of interactions of cracks in the matrix with reinforcing fibers or fiber coatings and relating these observations to the overall mechanical response and toughening mechanisms of composites.
Mechanical Behavior of Fiber-Reinforced Ceramic Composites at Elevated Temperatures
Ceramic composites offer unique advantages over polymer- and metal-matrix composites in mechanical properties at elevated temperatures. However, the mechanical properties of ceramic composites at elevated temperatures are not well understood. This research program is aimed at studying plasticity and creep behaviors of fiber-reinforced ceramic composites at elevated temperatures. Of particular interest are the influence of the fiber-matrix interfacial and constituent properties on the creep/plasticity of composites, and mechanisms of plastic deformation/creep. These objectives are being achieved by fabricating composites with controlled interfaces, microstructures, and fiber architectures, and then performing mechanical tests at elevated temperatures in controlled atmospheres. TEM studies of the deformed microstructures are also planned.
Thermal Shock Behavior of Continuous Fiber-Reinforced Ceramic Composites
Ceramic composites with toughening potentials far superior to the monolithic ceramic have been developed. These composites are often exposed to thermal transients in real applications, which can induce damage because of the thermal shock. Such thermal shock damaged composites containing matrix cracks are further susceptible to additional damage by fatigue and oxidation at elevated temperatures. A fundamental study is underway to characterize damage to composites by thermal shock using the water quenches technique, and the damage to composites is being characterized by destructive (strength) and non-destructive (ultrasonic/thermal diffusivity) techniques. In addition, the influence of fiber, fiber architecture, interfacial properties, and method of composite fabrication on the thermal shock behavior of composites is being studied. These results are then analyzed to identify mechanisms of the thermal shock damage in ceramic composites.
Fracture and Crack-Tip Behavior in Fiber-Reinforced Ceramic Composites
Crack propagation and crack-fiber interactions play dominant roles in fracture and toughening of ceramic composites. In particular, processes in the vicinity of a crack tip such as crack-fiber interaction, fiber-bridging stresses, interfacial sliding, and fiber failure are important in understanding crack propagation and fracture in ceramic composites. In-situ studies are underway to characterize the influence of interfacial properties on the crack tip behavior and crack fiber interactions in ceramic composites. Of particular interests are measurements of crack shape, crack opening displacements, and crack bridging stresses as a function of applied stress and crack length. This knowledge is then used to model fracture and crack growth resistance of ceramic composites using a cohesive crack growth model.
- Modeling of Materials Behavior
Finite Element Modeling of Materials Behavior
A broad-based modeling activity is underway in support of some of the above mentioned experimental studies to simulate behavior of polycrystalline materials, fiber-reinforced composites, and electromechanical response of ferroelectric/piezoelectric ceramics. Finite element modeling (FEM) of polycrystalline material properties using single crystal values has been done using a novel Voronoi-Tesselation approach. This approach can simulate real polycrystalline microstructures, which are otherwise difficult to model using other approaches. Thermal properties of polycrystalline materials have been calculated from single crystal values, and the results are in excellent agreement with the experimental values. 3-D FEM models have also been developed to determine properties of fiber-reinforced composites, such as expansion behavior, elastic properties, and thermomechanical residual stress distributions as a result of expansion mismatch. Recently, modeling of electromechanical response of piezoelectric ceramics has also been successful in explaining the influence of electric field and mechanical load on the crack propagation in PZT. These FEM models are also being used in planning critical experiments to illustrate unique response of materials to mechanical and electrical stimulus, and in demonstrating/simulating behavior of materials under extremes of operating conditions.