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Full-Text Articles in Chemical Engineering

A Computational Investigation Of The Interstitial Oxidation Thermodynamics Of A Mo-Nb-Ta-W High Entropy Alloy Beyond The Dilute Regime, Adib J. Samin Dec 2020

A Computational Investigation Of The Interstitial Oxidation Thermodynamics Of A Mo-Nb-Ta-W High Entropy Alloy Beyond The Dilute Regime, Adib J. Samin

Faculty Publications

High entropy alloys (HEAs) are promising candidates for high-temperature structural material applications. Oxidation is a major factor that must be accounted for when designing such materials and it is thus important to study the oxidation behavior of HEAs to enable the optimum design of next generation materials. In this study, the thermodynamic behavior of interstitial oxygen in a Mo-Nb-Ta-W high entropy alloy was explored beyond the dilute limit. This was accomplished by sampling configurations of the HEA and HEA-oxygen systems from an isothermal–isobaric ensemble using a series of first-principle-based Monte Carlo simulations. It was found that the interstitial oxygen had …


Influence Of Crystal Structure On The Electrochemical Performance Of A-Site-Deficient Sr 1-Xnb 0.1 Co 0.9 O 3-Δ Perovskite Cathodes, Yinlong Zhu, Ye Lin, Xuan Shen, Jaka Sunarso, Wei Zhou, Shanshan Jiang, Dong Su, Fanglin Chen, Zongping Shao Aug 2014

Influence Of Crystal Structure On The Electrochemical Performance Of A-Site-Deficient Sr 1-Xnb 0.1 Co 0.9 O 3-Δ Perovskite Cathodes, Yinlong Zhu, Ye Lin, Xuan Shen, Jaka Sunarso, Wei Zhou, Shanshan Jiang, Dong Su, Fanglin Chen, Zongping Shao

Faculty Publications

The creation of A-site cation defects within a perovskite oxide can substantially alter the structure and properties of its stoichiometric analogue. In this work, we demonstrate that by vacating 2 and 5% of A-site cations from SrNb0.1Co0.9O3−δ (SNC1.00) perovskites (Sr1−sNb0.1Co0.9O3−δ, s = 0.02 and 0.05; denoted as SNC0.98 and SNC0.95, respectively), a Jahn–Teller (JT) distortion with varying extents takes place, leading to the formation of a modified crystal lattice within a the perovskite framework. Electrical conductivity, electrochemical performance, chemical compatibility and microstructure of Sr …


In-Situ Study Of E-Beam Al And Hf Metal Deposition On Native Oxide Inp (100), H. Dong, Santosh Kc, A. Azcatl, W. Cabrera, X. Qin, B. Brennan, D. Zhernokletov, K. Cho, R. Wallace Nov 2013

In-Situ Study Of E-Beam Al And Hf Metal Deposition On Native Oxide Inp (100), H. Dong, Santosh Kc, A. Azcatl, W. Cabrera, X. Qin, B. Brennan, D. Zhernokletov, K. Cho, R. Wallace

Faculty Publications

The interfacial chemistry of thin Al (∼3 nm) and Hf (∼2 nm) metal films deposited by electron beam (e-beam) evaporation on native oxide InP (100) samples at room temperature and after annealing has been studied by in situ angle resolved X-ray photoelectron spectroscopy and low energy ion scattering spectroscopy. The In-oxides are completely scavenged forming In-In/In-(Al/Hf) bonding after Al and Hf metal deposition. The P-oxide concentration is significantly decreased, and the P-oxide chemical states have been changed to more P-rich oxides upon metal deposition. Indium diffusion through these metals before and after annealing at 250 °C has also been characterized. …


In Situ Study Of The Role Of Substrate Temperature During Atomic Layer Deposition Of Hfo2 On Inp, H. Dong, Santosh Kc, X. Qin, B. Brennan, S. Mcdonnell, D. Zhernokletov, C. Hinkle, J. Kim, K. Cho, R. Wallace Oct 2013

In Situ Study Of The Role Of Substrate Temperature During Atomic Layer Deposition Of Hfo2 On Inp, H. Dong, Santosh Kc, X. Qin, B. Brennan, S. Mcdonnell, D. Zhernokletov, C. Hinkle, J. Kim, K. Cho, R. Wallace

Faculty Publications

The dependence of the “self cleaning” effect of the substrate oxides on substrate temperature during atomic layer deposition (ALD) of HfO2 on various chemically treated and native oxide InP (100) substrates is investigated using in situ X-ray photoelectron spectroscopy. The removal of In-oxide is found to be more efficient at higher ALD temperatures. The P oxidation states on native oxide and acid etched samples are seen to change, with the total P-oxide concentration remaining constant, after 10 cycles of ALD HfO2 at different temperatures. An (NH4)2 S treatment is seen to effectively remove native oxides and passivate the InP surfaces …


Indium Diffusion Through High-K Dielectrics In High-K/Inp Stacks, H. Dong, W. Cabrera, R. Galatage, Santosh Kc, B. Brennan, X. Qin, S. Mcdonnell, D. Zhernokletov, C. Hinkle, K. Cho, Y. Chabal, R. Wallace Aug 2013

Indium Diffusion Through High-K Dielectrics In High-K/Inp Stacks, H. Dong, W. Cabrera, R. Galatage, Santosh Kc, B. Brennan, X. Qin, S. Mcdonnell, D. Zhernokletov, C. Hinkle, K. Cho, Y. Chabal, R. Wallace

Faculty Publications

Evidence of indium diffusion through high-k dielectric (Al2O3 and HfO2) films grown on InP (100) by atomic layer deposition is observed by angle resolved X-ray photoelectron spectroscopy and low energy ion scattering spectroscopy. The analysis establishes that In-out diffusion occurs and results in the formation of a POx rich interface.High mobility III-V channel materials are contenders to replace Si in semiconductor devices like metal oxide semiconductor filed effect transistors (MOSFETs) for the sub 22 nm technology node.1 Extensive research is being carried out to determine the validity of these III-V materials for use as the channel, in a variety of …


Applications Of High Throughput (Combinatorial) Methodologies To Electronic, Magnetic, Optical, And Energy-Related Materials, Martin L. Green, Ichiro Takeuchi, Jason R. Hattrick-Simpers Jan 2013

Applications Of High Throughput (Combinatorial) Methodologies To Electronic, Magnetic, Optical, And Energy-Related Materials, Martin L. Green, Ichiro Takeuchi, Jason R. Hattrick-Simpers

Faculty Publications

High throughput (combinatorial) materials science methodology is a relatively new research paradigm that offers the promise of rapid and efficient materials screening, optimization, and discovery. The paradigm started in the pharmaceutical industry but was rapidly adopted to accelerate materials research in a wide variety of areas. High throughput experiments are characterized by synthesis of a “library” sample that contains the materials variation of interest (typically composition), and rapid and localized measurement schemes that result in massive data sets. Because the data are collected at the same time on the same “library” sample, they can be highly uniform with respect to …


Giant Magnetostriction In Annealed Co1-XFeX Thin-Films, Dwight Hunter, Will Osborn, Ke Wang, Nataliya Kazantseva, Jason R. Hattrick-Simpers, Richard Suchoski, Ryota Takahashi, Marcus L. Young, Apurva Mehta, Leonid A. Bendersky, Same E. Lofland, Manfred Wuttig, Ichiro Takeuchi Nov 2011

Giant Magnetostriction In Annealed Co1-XFeX Thin-Films, Dwight Hunter, Will Osborn, Ke Wang, Nataliya Kazantseva, Jason R. Hattrick-Simpers, Richard Suchoski, Ryota Takahashi, Marcus L. Young, Apurva Mehta, Leonid A. Bendersky, Same E. Lofland, Manfred Wuttig, Ichiro Takeuchi

Faculty Publications

Chemical and structural heterogeneity and the resulting interaction of coexisting phases can lead to extraordinary behaviours in oxides, as observed in piezoelectric materials at morphotropic phase boundaries and relaxor ferroelectrics. However, such phenomena are rare in metallic alloys. Here we show that, by tuning the presence of structural heterogeneity in textured Co1−xFex thin films, effective magnetostriction λeff as large as 260 p.p.m. can be achieved at low-saturation field of ~10 mT. Assuming λ100 is the dominant component, this number translates to an upper limit of magnetostriction ofλ100≈5λeff >1,000 p.p.m. Microstructural analyses …


Enhanced Dielectric Properties In Single Crystal-Like Bifeo3 Thin Films Grown By Flux-Mediated Epitaxy, S.-H. Lim, M. Murakami, J. H. Yang, S.-Y. Young, Jason R. Hattrick-Simpers, M. Wuttig, L. G. Salamanca-Riba, I. Takeuchi Jan 2008

Enhanced Dielectric Properties In Single Crystal-Like Bifeo3 Thin Films Grown By Flux-Mediated Epitaxy, S.-H. Lim, M. Murakami, J. H. Yang, S.-Y. Young, Jason R. Hattrick-Simpers, M. Wuttig, L. G. Salamanca-Riba, I. Takeuchi

Faculty Publications

We have fabricated single crystal-like BiFeO3 (BFO) thin films by flux-mediated epitaxy using pulsed laser deposition(PLD). The Bi–Cu–O flux composition and its thickness were optimized using composition spread, thickness gradient, and temperature gradient libraries. The optimized BFO thin films grown with this technique showed larger grain size of ∼2μm and higher dielectric constant in the range of 260–340 than those for standard PLD grown films. In addition, the leakage current density of the films was reduced by two orders of magnitude compared to that of standard PLD grown films.


Demonstration Of Magnetoelectric Scanning Probe Microscopy, Jason R. Hattrick-Simpers, Liyang Dai, Manfred Wuttig, Ichiro Takeuchi, Eckhard Quandt Jan 2007

Demonstration Of Magnetoelectric Scanning Probe Microscopy, Jason R. Hattrick-Simpers, Liyang Dai, Manfred Wuttig, Ichiro Takeuchi, Eckhard Quandt

Faculty Publications

A near-field room temperature scanning magnetic probe microscope has been developed using a laminated magnetoelectric sensor. The simple trilayer longitudinal-transverse mode sensor, fabricated using Metglas as the magnetostrictive layer and polyvinylidene fluoride as the piezoelectric layer, shows an ac field sensitivity of 467±3μV∕Oe in the measured frequency range of 200Hz–8kHz. The microscope was used to image a 2mm diameter ring carrying an ac current as low as 10−5A. ac fields as small as 3×10−10T have been detected.


The Microstructure And Grain Size Of Jet Electroplated Copper Films In Damascene Trench Features, Andrew Tzanavaras, Gregory Young, Stacy H. Gleixner Jan 2006

The Microstructure And Grain Size Of Jet Electroplated Copper Films In Damascene Trench Features, Andrew Tzanavaras, Gregory Young, Stacy H. Gleixner

Faculty Publications

The brightening additive level and dc current density of electroplating baths are two parameters that affect the gap-filling capability and the degree of impurity incorporation in electroplated copper films. Additive incorporation can inhibit grain growth during the room temperature recrystallization process and therefore affect the final grain size. This investigation explores the grain size and microstructure of dc jet-electroplated copper films in 0.35 and 0.50μm Damascene trenches as a function of current density and brightening additive level after first receiving a high-temperature anneal. Unlike a previous study that explored these variables in blanket Cu films [ J. Electrochem. Soc. , …


Combinatorial Study Of Ni-Ti-Pt Ternary Metal Gate Electrodes On Hfo2 For The Advanced Gate Stack, K.-S. Chang, M. L. Green, J. Suehle, E. M. Vogel, H. Xiong, Jason R. Hattrick-Simpers, I. Takeuchi, O. Famodu, K. Ohmori, P. Ahmet, T. Chikyow, P. Majhi, B.-H. Lee, M. Gardner Jan 2006

Combinatorial Study Of Ni-Ti-Pt Ternary Metal Gate Electrodes On Hfo2 For The Advanced Gate Stack, K.-S. Chang, M. L. Green, J. Suehle, E. M. Vogel, H. Xiong, Jason R. Hattrick-Simpers, I. Takeuchi, O. Famodu, K. Ohmori, P. Ahmet, T. Chikyow, P. Majhi, B.-H. Lee, M. Gardner

Faculty Publications

The authors have fabricated combinatorial Ni–Ti–Pt ternary metal gate thin film libraries on HfO2 using magnetron co-sputtering to investigate flatband voltage shift (ΔVfb) , work function (Φm) , and leakage current density (JL) variations. A more negative ΔVfb is observed close to the Ti-rich corner than at the Ni- and Pt-rich corners, implying smaller Φm near the Ti-rich corners and higher Φm near the Ni- and Pt-rich corners. In addition, measured JL values can be explained consistently with the observed Φm variations. Combinatorial methodologies prove to be useful …


The Grain Size And Microstructure Of Jet-Electroplated Damascene Copper Films, Stacy H. Gleixner, Andrew Tzanavaras, Gregory Young Jan 2005

The Grain Size And Microstructure Of Jet-Electroplated Damascene Copper Films, Stacy H. Gleixner, Andrew Tzanavaras, Gregory Young

Faculty Publications

Electroplated damascene copper is rapidly replacing aluminum-copper alloys for on-chip interconnect metallization in advanced ultralarge scale integrated (ULSI) semiconductor devices. In addition to a high degree of (111) crystallographic texture, large defect-free grains are desired to enhance the performance and reliability of copper interconnects in such devices. The brightening additive level and dc current density of electroplating baths are two parameters that affect the process gap-filling capability and the degree of additive incorporation in these copper films. Additive incorporation can inhibit grain growth during the room-temperature recrystallization process and therefore affect the final grain size in electroplated copper films. This …


Tunable Multiferroic Properties In Nanocomposite Pbtio3-Cofe2O4 Epitaxial Thin Films, M. Murakami, K.-S. Chang, M. A. Aronova, C.-L. Lin, Ming H. Yu, Jason R. Hattrick-Simpers, M. Wuttig, I. Takeuchi, C. Gao, B. Hu, S. E. Lofland, L. A. Knauss, L. A. Bendersky Jan 2005

Tunable Multiferroic Properties In Nanocomposite Pbtio3-Cofe2O4 Epitaxial Thin Films, M. Murakami, K.-S. Chang, M. A. Aronova, C.-L. Lin, Ming H. Yu, Jason R. Hattrick-Simpers, M. Wuttig, I. Takeuchi, C. Gao, B. Hu, S. E. Lofland, L. A. Knauss, L. A. Bendersky

Faculty Publications

We report on the synthesis of PbTiO3–CoFe2O4 multiferroic nanocomposites and continuous tuning of their ferroelectric and magnetic properties as a function of the average composition on thin-film composition spreads. The highest dielectric constant and nonlinear dielectric signal was observed at (PbTiO3)85–(CoFe2O4)15, where robust magnetism was also observed. Transmission electron microscopy revealed a pancake-shaped epitaxial nanostructure of PbTiO3 on the order of 30 nm embedded in the matrix of CoFe2O4 at this composition. Composition dependent ferroics properties observed here indicate that there …


Data Management And Visualization Of X-Ray Diffraction Spectra From Thin Film Ternary Composition Spreads, I. Takeuchi, C. J. Long, O. O. Famodu, M. Murakami, Jason R. Hattrick-Simpers, G. W. Rubloff, M. Stukowski, K. Rajan Jan 2005

Data Management And Visualization Of X-Ray Diffraction Spectra From Thin Film Ternary Composition Spreads, I. Takeuchi, C. J. Long, O. O. Famodu, M. Murakami, Jason R. Hattrick-Simpers, G. W. Rubloff, M. Stukowski, K. Rajan

Faculty Publications

We discuss techniques for managing and visualizing x-ray diffraction spectrum data for thin film composition spreads which map large fractions of ternary compositional phase diagrams. An in-house x-ray microdiffractometer is used to obtain spectra from over 500 different compositions on an individual spread. The MATLAB software is used to quickly organize the data and create various plots from which one can quickly grasp different information regarding structural and phase changes across the composition spreads. Such exercises are valuable in rapidly assessing the “overall” picture of the structural evolution across phase diagrams before focusing in on specific composition regions for detailed …


Exploration Of Artificial Multiferroic Thin-Film Heterostructures Using Composition Spreads, K.-S. Chang, M. A. Aronova, C.-L. Lin, M. Murakami, M.-H. Yu, Jason R. Hattrick-Simpers, O. O. Famodu, S. Y. Lee, R. Ramesh, M. Wuttig, I. Takeuchi, C. Gao, L. A. Bendersky Jan 2004

Exploration Of Artificial Multiferroic Thin-Film Heterostructures Using Composition Spreads, K.-S. Chang, M. A. Aronova, C.-L. Lin, M. Murakami, M.-H. Yu, Jason R. Hattrick-Simpers, O. O. Famodu, S. Y. Lee, R. Ramesh, M. Wuttig, I. Takeuchi, C. Gao, L. A. Bendersky

Faculty Publications

We have fabricated a series of composition spreads consisting of ferroelectric BaTiO3 and piezomagnetic CoFe2O4 layers of varying thicknesses modulated at nanometer level in order to explore artificial magnetoelectricthin-film heterostructures. Scanning microwavemicroscopy and scanning superconducting quantum interference device microscopy were used to map the dielectric and magnetic properties as a function of continuously changing average composition across the spreads, respectively. Compositions in the middle of the spreads were found to exhibit ferromagnetism while displaying a dielectric constant as high as ≈120.


Multimode Quantitative Scanning Microwave Microscopy Of In Situ Grown Epitaxial Ba1-XSrXTio3 Composition Spreads, K. S. Chang, M. Aronova, O. Famodu, I. Takeuchi, S. E. Lofland, Jason R. Hattrick-Simpers, H. Chang Jan 2001

Multimode Quantitative Scanning Microwave Microscopy Of In Situ Grown Epitaxial Ba1-XSrXTio3 Composition Spreads, K. S. Chang, M. Aronova, O. Famodu, I. Takeuchi, S. E. Lofland, Jason R. Hattrick-Simpers, H. Chang

Faculty Publications

We have performed variable-temperature multimode quantitative microwavemicroscopy of in situepitaxial Ba1−xSrxTiO3 thin-film composition spreads fabricated on (100) LaA1O3 substrates. Dielectric properties were mapped as a function of continuously varying composition from BaTiO3 to SrTiO3. We have demonstrated nondestructive temperature-dependent dielectric characterization of local thin-film regions. Measurements are simultaneously taken at multiple resonant frequencies of the microscope cavity. The multimode measurements allow frequency dispersion studies. We observe strong composition-dependent dielectric relaxation in Ba1−xSrxTiO3 at microwave frequencies.


Derivation Of An Analytical Model To Calculate Junction Depth In Hgcdte Photodiodes, Stacy H. Gleixner, H. G. Robinson, C. R. Helms Feb 1998

Derivation Of An Analytical Model To Calculate Junction Depth In Hgcdte Photodiodes, Stacy H. Gleixner, H. G. Robinson, C. R. Helms

Faculty Publications

Presents an enhanced analytical model to calculate junction depth and Hg interstitial profile during n-on-p junction formation in HgCdTe photodiodes. Detailed information on the enhanced model; Function of the model; Information on HgCdTe; Detailed information on how the model was obtained.