Open Access. Powered by Scholars. Published by Universities.®

Engineering Commons

Open Access. Powered by Scholars. Published by Universities.®

Materials Science and Engineering

Institution
Keyword
Publication Year
Publication
Publication Type
File Type

Articles 1 - 30 of 11001

Full-Text Articles in Engineering

Impact Of Chain Architecture On The Thickness Dependence Of Physical Aging Rate Of Thin Polystyrene Films, Gregory Brown, Elizabeth Lewis, Bryan D. Vogt Jan 2020

Impact Of Chain Architecture On The Thickness Dependence Of Physical Aging Rate Of Thin Polystyrene Films, Gregory Brown, Elizabeth Lewis, Bryan D. Vogt

Williams Honors College, Honors Research Projects

The dynamics of polymer thin films have been demonstrated to be significantly altered from the bulk, but the origins of such differences are not well defined. In this work, we seek to understand the differences in the structural dynamics (or physical aging) of polystyrene (PS) through branching and other well defined architectures (comb and centipede). The aging dynamics of ultrathin films (< 30 nm) differ from relatively thick films (100-150nm) with linear PS thin films aging more rapidly than the relatively “bulk-like” thick films. Ellipsometric measurements are used to characterize the physical aging rate of the films. The change in film thickness and refractive index as the films are held below the glass transition temperature (Tg) provides a simple measure of the physical aging. In this study, four different architectures (linear, comb, 4 arm star, and centipede) will be investigated. For each PS architecture, the aging rate will be determined for film thickness ranging ...


Influence Of Mechanical Properties Of Paper Coating On The Crack At The Fold Problem, Seyyed Mohammad Hashemi Najafi May 2019

Influence Of Mechanical Properties Of Paper Coating On The Crack At The Fold Problem, Seyyed Mohammad Hashemi Najafi

Electronic Theses and Dissertations

Paper coating layers are subject to various stresses and deformations in many converting processes such as calendering, printing, slitting, and folding of the paper. In some cases, products may crack during folding to generate a defect called cracking at the fold (CAF). The parameters that influence these defects are not well understood. The overall goal of this thesis is to better understand the CAF behavior as related to material properties of the coating layer.

A method was developed to produce free-standing pigmented coating layers thick enough to be tested in bending as well as tension. The mechanical properties of these ...


The Influence Of Asphalt Ageing On Induction Healing Effect On Porous Asphalt Concrete, Shi Xu, Xueyan Liu, Amir Tabakovic, Erik Schlangen Feb 2019

The Influence Of Asphalt Ageing On Induction Healing Effect On Porous Asphalt Concrete, Shi Xu, Xueyan Liu, Amir Tabakovic, Erik Schlangen

Articles

Induction healing is a proven technology which is able to improve the self‐healing capacity of asphalt concrete. Healing is achieved via electromagnetic current produced by passing induction machine, where steel asphalt constituents heat up which in turn soften the bitumen in the asphalt layer, allowing it to flow and close cracks, repairing the damage. This paper reports on the study which investigated the influence of ageing on the healing capacity of Porous Asphalt (PA) concrete. Porous Asphalt concrete mix was prepared first, then subjected to an accelerated (laboratory) ageing process using a ventilated oven. In order to further evaluate ...


Ice-Binding Protein From Shewanella Frigidimarinas Inhibits Ice Crystal Growth In Highly Alkaline Solutions, Elizabeth Delesky, Shane D. Frazier, Jaqueline D. Wallat, Kendra L. Bannister, Chelsea Marie Heveran, Wil V. Srubar Iii Feb 2019

Ice-Binding Protein From Shewanella Frigidimarinas Inhibits Ice Crystal Growth In Highly Alkaline Solutions, Elizabeth Delesky, Shane D. Frazier, Jaqueline D. Wallat, Kendra L. Bannister, Chelsea Marie Heveran, Wil V. Srubar Iii

University Libraries Open Access Fund Supported Publications

The ability of a natural ice-binding protein from Shewanella frigidimarina (SfIBP) to inhibit ice crystal growth in highly alkaline solutions with increasing pH and ionic strength was investigated in this work. The purity of isolated SfIBP was first confirmed via sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE) and size-exclusion chromatography with an ultraviolet detector (SEC-UV). Protein stability was evaluated in the alkaline solutions using circular dichroism spectroscopy, SEC-UV, and SDS-PAGE. SfIBP ice recrystallization inhibition (IRI) activity, a measure of ice crystal growth inhibition, was assessed using a modified splat assay. Statistical analysis of results substantiated that, despite partial denaturation and ...


Sure Abstract - Spring 2019: Biomimetic Metamaterial Scales Enhancing Thermal Coatings’ Mechanical Properties For Turbine Blades, Ryan Horton Feb 2019

Sure Abstract - Spring 2019: Biomimetic Metamaterial Scales Enhancing Thermal Coatings’ Mechanical Properties For Turbine Blades, Ryan Horton

Ryan Horton

No abstract provided.


The Effects Of Silica On The Properties Of Vitreous Enamels, Signo Tadeu Dos Reis, Mike Koenigstein, Liang Fan, Genda Chen, Luka Pavic, Andrea Mogus-Milankovic Feb 2019

The Effects Of Silica On The Properties Of Vitreous Enamels, Signo Tadeu Dos Reis, Mike Koenigstein, Liang Fan, Genda Chen, Luka Pavic, Andrea Mogus-Milankovic

Genda Chen

Ground coat enamels for low carbon steel that contain silica as a mill addition have been developed to study the changes of their properties. Acid-resistant commercial enamel where silica addition was varied from 0 to 10.0 wt % was used for this investigation. The effects of the addition on the corrosion resistance, thermal properties, electrical properties, and mechanical adherence of the enamel to low carbon steel were studied. The corrosion resistance of the steel enameled coupons was tested using a salt spray (fog) apparatus for time periods reaching 168 h at room temperature. It was found that, although the density ...


Slip Of Shuffle Screw Dislocations Through Tilt Grain Boundaries In Silicon, Hao Chen, Valery Levitas, Liming Xiong Feb 2019

Slip Of Shuffle Screw Dislocations Through Tilt Grain Boundaries In Silicon, Hao Chen, Valery Levitas, Liming Xiong

Aerospace Engineering Publications

In this paper, molecular dynamics (MD) simulations of the interaction between tilt grain boundaries (GBs) and a shuffle screw dislocation in silicon are performed. Results show that dislocations transmit into the neighboring grain for all GBs in silicon. For Σ3, Σ9 and Σ19 GBs, when a dislocation interacts with a heptagon site, it transmits the GB directly. In contrast, when interacting with a pentagon site, it first cross slips to a plane on the heptagon site and then transmits the GB. The energy barrier is also quantified using the climbing image nudged elastic band (CINEB) method. Results show that Σ3 ...


Optimization Of The Calcium Alginate Capsules For Self-Healing Asphalt, Shi Xu, Amir Tabakovic, Xueyan Liu, Damian Palin, Erik Schlangen Jan 2019

Optimization Of The Calcium Alginate Capsules For Self-Healing Asphalt, Shi Xu, Amir Tabakovic, Xueyan Liu, Damian Palin, Erik Schlangen

Articles

Featured Application: This self-healing technology for asphalt pavements has the potential to greatly disrupt asphalt production methods (which have been stable over the past 100 years).This paper presents a development process of ‘calcium-alginate microcapsules encapsulating an asphalt bitumen rejuvenator’. The encapsulated rejuvenator is released when required (on demand) which rejuvenates the aged binder. Once crack is initiated and starts propagating it encounters a microcapsule, energy at tip of the crack opens the microcapsule, releasing the rejuvenator (healing agent). The rejuvenator will infuse into the aged binder soften it, allowing to flow, two broken edges to get into a contact ...


On The Role Of Composition And Processing Parameters On The Microstructure Evolution Of Ti-Xmo Alloys, Michael Y. Mendoza, Peyman Samimi, David A. Brice, Iman Ghamarian, Matt Rolchigo, Richard Lesar, Peter Collins Jan 2019

On The Role Of Composition And Processing Parameters On The Microstructure Evolution Of Ti-Xmo Alloys, Michael Y. Mendoza, Peyman Samimi, David A. Brice, Iman Ghamarian, Matt Rolchigo, Richard Lesar, Peter Collins

Materials Science and Engineering Publications

Laser Engineered Net Shaping (LENS™) was used to produce a compositionally graded Ti-xMo (0 ≤ x ≤ 12 wt %) specimen and nine Ti-15Mo (fixed composition) specimens at different energy densities to understand the composition–processing–microstructure relationships operating using additive manufacturing. The gradient was used to evaluate the effect of composition on the prior-beta grain size. The specimens deposited using different energy densities were used to assess the processing parameters influence the microstructure evolutions. The gradient specimen did not show beta grain size reduction with the Mo content. The analysis from the perspective of the two grain refinement mechanisms based on a ...


3d Bioprinting Of Stem Cells And Polymer/Bioactive Glass Composite Scaffolds For Bone Tissue Engineering, Caroline Murphy, Krishna Kolan, Wenbin Li, Julie A. Semon, D. E. Day, Ming-Chuan Leu Jan 2019

3d Bioprinting Of Stem Cells And Polymer/Bioactive Glass Composite Scaffolds For Bone Tissue Engineering, Caroline Murphy, Krishna Kolan, Wenbin Li, Julie A. Semon, D. E. Day, Ming-Chuan Leu

Ming C. Leu

A major limitation of using synthetic scaffolds in tissue engineering applications is insufficient angiogenesis in scaffold interior. Bioactive borate glasses have been shown to promote angiogenesis. There is a need to investigate the biofabrication of polymer composites by incorporating borate glass to increase the angiogenic capacity of the fabri-cated scaffolds. In this study, we investigated the bioprinting of human adipose stem cells (ASCs) with a polycaprolac-tone (PCL)/bioactive borate glass composite. Borate glass at the concentration of 10 to 50 weight %, was added to a mixture of PCL and organic solvent to make an extrudable paste. ASCs suspended in Matrigel ...


Modeling Of Thermal And Mechanical Behavior Of Zrb₂-Sic Ceramic After High Temperature Oxidation, Jun Wei, Lokeswarappa R. Dharani, K. Chandrashekhara, Greg Hilmas, William Fahrenholtz Jan 2019

Modeling Of Thermal And Mechanical Behavior Of Zrb₂-Sic Ceramic After High Temperature Oxidation, Jun Wei, Lokeswarappa R. Dharani, K. Chandrashekhara, Greg Hilmas, William Fahrenholtz

K. Chandrashekhara

No abstract provided.


Comparison Of Thermal Properties Of Laser Deposition And Traditional Welding Process Via Thermal Diffusivity Measurement, Yu Yang, Omoghene Osaze Obahor, Yaxin Bao, Todd E. Sparks, Jianzhong Ruan, Jacquelyn K. Stroble, Robert G. Landers, Joseph William Newkirk, Frank W. Liou Jan 2019

Comparison Of Thermal Properties Of Laser Deposition And Traditional Welding Process Via Thermal Diffusivity Measurement, Yu Yang, Omoghene Osaze Obahor, Yaxin Bao, Todd E. Sparks, Jianzhong Ruan, Jacquelyn K. Stroble, Robert G. Landers, Joseph William Newkirk, Frank W. Liou

Robert G. Landers

Laser deposition is an effective process for mold and die repair. In order to improve the part repair quality, the process impact on thermal diffusivity and thermal conductivity needs to be understood for laser deposited, welded and virgin H13. In this paper, H13 tool steel samples were made by laser deposition, welding and virgin H13 and then cut into pieces. Experiments were conducted to investigate the thermal diffusivity and conductivity. A laser flash method is used to test these samples. The future work and opportunities are also summarized.


Modeling Of Thermal And Mechanical Behavior Of Zrb₂-Sic Ceramic After High Temperature Oxidation, Jun Wei, Lokeswarappa R. Dharani, K. Chandrashekhara, Greg Hilmas, William Fahrenholtz Jan 2019

Modeling Of Thermal And Mechanical Behavior Of Zrb₂-Sic Ceramic After High Temperature Oxidation, Jun Wei, Lokeswarappa R. Dharani, K. Chandrashekhara, Greg Hilmas, William Fahrenholtz

Lokeswarappa Dharani

No abstract provided.


Effect Of Polymer-Surface Mobility On Adhesion In Poly(Methyl Methacrylate)-Tape System, Bhavesh C. Gandhi, Frank D. Blum, Lokeswarappa R. Dharani Jan 2019

Effect Of Polymer-Surface Mobility On Adhesion In Poly(Methyl Methacrylate)-Tape System, Bhavesh C. Gandhi, Frank D. Blum, Lokeswarappa R. Dharani

Lokeswarappa Dharani

The interaction between two polymer layers, especially adhesion between them, plays an important role in polymer processing and other applications. Detailed knowledge of the molecular structure and dynamics of polymer interfaces, and how they relate to macroscopic mechanical properties, should help designers construct more functional systems. Unfortunately, there have been few studies where both molecular and macroscopic studies have been performed on similar systems. In previous studies from our group, we have probed the dynamics of poly(methyl acrylate) (PMA) and thermal behavior of poly(methyl methacrylate) (PMMA) on silica. These studies helped us paint a picture for strongly bound ...


Effect Of Interfacial Mobility On Flexural Strength And Fracture Toughness Of Glass/Epoxy Laminates, T. W. H. Wang, Frank D. Blum, Lokeswarappa R. Dharani Jan 2019

Effect Of Interfacial Mobility On Flexural Strength And Fracture Toughness Of Glass/Epoxy Laminates, T. W. H. Wang, Frank D. Blum, Lokeswarappa R. Dharani

Lokeswarappa Dharani

Mechanical testing and surface fractography were used to characterize the fracture of E-glass fiber reinforced epoxy composites as a function of the silane coupling agent used. gamma-Aminopropyltriethoxysilane (APS) and delta-aminobutyltriethoxysilane (ABS) were used because these have been shown to have different interfacial mobilities at multilayer coverage. The values of the properties studied generally increased from untreated c, as determined from a Mode I translaminar fracture toughness tests, for the untreated composites (10.5 ± 0.4 kJ/m2) was lower than that for the ABS-treated composites (14.3 ± 2.1 kJ/m2) which was lower than that for the APS-treated composites ...


Use Of Flexible Sensor To Characterize Biomechanics Of Canine Skin, Austin R. J. Downey, Jin Yan, Eric M. Zellner, Karl H. Kraus, Iris V. Rivero, Simon Laflamme Jan 2019

Use Of Flexible Sensor To Characterize Biomechanics Of Canine Skin, Austin R. J. Downey, Jin Yan, Eric M. Zellner, Karl H. Kraus, Iris V. Rivero, Simon Laflamme

Civil, Construction and Environmental Engineering Publications

Background: Suture materials and techniques are frequently evaluated in ex vivo studies by comparing tensile strengths. However, the direct measurement techniques to obtain the tensile forces in canine skin are not available, and, therefore, the conditions suture lines undergo is unknown. A soft elastomeric capacitor is used to monitor deformation in the skin over time by sensing strain. This sensor was applied to a sample of canine skin to evaluate its capacity to sense strain in the sample while loaded in a dynamic material testing machine. The measured strain of the sensor was compared with the strain measured by the ...


Stability Of The M2 Phase Of Vanadium Dioxide Induced By Coherent Epitaxial Strain, N. F. Quackenbush, Yijia Gu Jan 2019

Stability Of The M2 Phase Of Vanadium Dioxide Induced By Coherent Epitaxial Strain, N. F. Quackenbush, Yijia Gu

Yijia Gu

Tensile strain along the cR axis in epitaxial VO2 films raises the temperature of the metal insulator transition and is expected to stabilize the intermediate monoclinic M2 phase. We employ surface-sensitive x-ray spectroscopy to distinguish from the TiO2 substrate and identify the phases of VO2 as a function of temperature in epitaxial VO2/TiO2 thin films with well-defined biaxial strain. Although qualitatively similar to our Landau-Ginzburg theory predicted phase diagrams, the M2 phase is stabilized by nearly an order of magnitude more strain than expected for the measured temperature window. Our results reveal that the ...


Universal Emergence Of Spatially Modulated Structures Induced By Flexoantiferrodistortive Coupling In Multiferroics, Eugene A. Eliseev, Sergei V. Kalinin, Yijia Gu, Maya D. Glinchuk, Victoria V. Khist Jan 2019

Universal Emergence Of Spatially Modulated Structures Induced By Flexoantiferrodistortive Coupling In Multiferroics, Eugene A. Eliseev, Sergei V. Kalinin, Yijia Gu, Maya D. Glinchuk, Victoria V. Khist

Yijia Gu

We proved the existence of a universal flexoantiferrodistortive coupling as a necessary complement to the well-known flexoelectric coupling. The coupling is universal for all antiferrodistortive systems and can lead to the formation of incommensurate, spatially modulated phases in multiferroics. Our analysis can provide a self-consistent mesoscopic explanation for a broad range of modulated domain structures observed experimentally in multiferroics.


Origin Of Interfacial Polar Order In Incipient Ferroelectrics, Yijia Gu, Nan Wang, Fei Xue, Long-Qing Chen Jan 2019

Origin Of Interfacial Polar Order In Incipient Ferroelectrics, Yijia Gu, Nan Wang, Fei Xue, Long-Qing Chen

Yijia Gu

There are ample experimental evidences indicating that the ferroelastic domain walls of incipient ferroelectrics, such as SrTiO3 and CaTiO3, are polar. The emergence of such interfacial polar order at a domain wall is exciting and believed to arise from the coupling between a primary order parameter, such as a strain or an antiferrodistortive (AFD) order parameter, and polarization. There have been several mechanisms proposed to explain the emergence of interfacial polar order, including biquadratic coupling, AFD-antiferroelectric coupling, and flexoelectric coupling. Using CaTiO3 as an example, we demonstrate, using both asymptotic analytics and numerical calculation, that the flexoelectric ...


Thermodynamics Of Strained Vanadium Dioxide Single Crystals, Yijia Gu, Jinbo Cao, Junqiao Wu, Long-Qing Chen Jan 2019

Thermodynamics Of Strained Vanadium Dioxide Single Crystals, Yijia Gu, Jinbo Cao, Junqiao Wu, Long-Qing Chen

Yijia Gu

Vanadium dioxide undergoes a metal-insulator transition, in which the strain condition plays an important role. To investigate the strain contribution, a phenomenological thermodynamic potential for the vanadium dioxide single crystal was constructed. The transformations under the uniaxial stress, wire, and thin film boundary conditions were analyzed, and the corresponding phase diagrams were constructed. The calculated phase diagrams agree well with existing experimental data, and show that the transformation temperature (and Curie temperature) strongly depends on the strain condition.


Thermotropic Phase Boundaries In Classic Ferroelectrics, Tom T. A. Lummen, Yijia Gu, Jianjun Wang Jan 2019

Thermotropic Phase Boundaries In Classic Ferroelectrics, Tom T. A. Lummen, Yijia Gu, Jianjun Wang

Yijia Gu

High-performance piezoelectrics are lead-based solid solutions that exhibit a so-called morphotropic phase boundary, which separates two competing phases as a function of chemical composition; as a consequence, an intermediate low-symmetry phase with a strong piezoelectric effect arises. In search for environmentally sustainable lead-free alternatives that exhibit analogous characteristics, we use a network of competing domains to create similar conditions across thermal inter-ferroelectric transitions in simple, lead-free ferroelectrics such as BaTiO3 and KNbO3. Here we report the experimental observation of thermotropic phase boundaries in these classic ferroelectrics, through direct imaging of low-symmetry intermediate phases that exhibit large enhancements in ...


Phenomenological Thermodynamic Potential For Catio₃ Single Crystals, Yijia Gu, Karin Rabe, Eric Bousquet, Venkatraman Gopalan, Long-Qing Chen Jan 2019

Phenomenological Thermodynamic Potential For Catio₃ Single Crystals, Yijia Gu, Karin Rabe, Eric Bousquet, Venkatraman Gopalan, Long-Qing Chen

Yijia Gu

The antiferrodistortive (AFD) structural transitions of calcium titanate (CaTiO3) at ambient pressure have been extensively studied during the last few years. It has been found that none of the AFD polymorphs is polar or ferroelectric. However, it was recently shown theoretically and later experimentally confirmed that a ferroelectric transition in CaTiO3 can be induced by tensile strains. The ferroelectric instability is believed to be strongly coupled to the AFD soft modes. In this paper, we present a complete thermodynamic potential for describing the coupling between the AFD and ferroelectric phase transitions. We analyzed the dependence of transition temperatures ...


Orientations Of Low-Energy Domain Walls In Perovskites With Oxygen Octahedral Tilts, Fei Xue, Yijia Gu, Linyun Liang, Yi Wang, Long-Qing Chen Jan 2019

Orientations Of Low-Energy Domain Walls In Perovskites With Oxygen Octahedral Tilts, Fei Xue, Yijia Gu, Linyun Liang, Yi Wang, Long-Qing Chen

Yijia Gu

Many applications of ferroic materials, such as data storage and spintronics, are achieved through the control and manipulation of their domain wall (DW) orientations and configurations. Here we propose a rotational compatibility condition to identify low-energy DWs in perovskites with oxygen octahedral tilt instability. It is derived from the strong DW energy anisotropy arising from the rigidity and corner-sharing feature of the octahedral network. We analyze quantitatively the DWs in SrTiO3 and explain successfully the unusual ferroelectric DW width and energy in BiFeO3.


Nanoscale Mechanical Switching Of Ferroelectric Polarization Via Flexoelectricity, Yijia Gu, Zijian Hong, Jason Britson, Long-Qing Chen Jan 2019

Nanoscale Mechanical Switching Of Ferroelectric Polarization Via Flexoelectricity, Yijia Gu, Zijian Hong, Jason Britson, Long-Qing Chen

Yijia Gu

Flexoelectric coefficient is a fourth-rank tensor arising from the coupling between strain gradient and electric polarization and thus exists in all crystals. It is generally ignored for macroscopic crystals due to its small magnitude. However, at the nanoscale, flexoelectric contributions may become significant and can potentially be utilized for device applications. Using the phase-field method, we study the mechanical switching of electric polarization in ferroelectric thin films by a strain gradient created via an atomic force microscope tip. Our simulation results show good agreement with existing experimental observations. We examine the competition between the piezoelectric and flexoelectric effects and provide ...


Monoclinic Phases Arising Across Thermal Inter-Ferroelectric Phase Transitions, Yijia Gu, Fei Xue, Shiming Lei, Tom T. A. Lummen, Jianjun Wang Jan 2019

Monoclinic Phases Arising Across Thermal Inter-Ferroelectric Phase Transitions, Yijia Gu, Fei Xue, Shiming Lei, Tom T. A. Lummen, Jianjun Wang

Yijia Gu

Thermotropic phase boundaries (TPBs), as thermal analogs of morphotropic phase boundaries (MPBs), are associated with the thermal inter-ferroelectric phase transitions. Similar to an MPB, a TPB exhibits a characteristically flattened energy profile which favors polarization rotation, thus giving rise to a structurally bridging low-symmetry phase. We report on the kinetic process of thermal inter-ferroelectric phase transitions in BaTiO3 and KNbO3 using the phase-field method. The domain structures are found to play key roles in stabilizing the monoclinic phase. In simple domain structures, the monoclinic phase is a transient phase and cannot be stabilized into its neighboring phase regimes ...


Flexoelectricity And Ferroelectric Domain Wall Structures: Phase-Field Modeling And Dft Calculations, Yijia Gu, Menglei Li, Anna N. Morozovska, Yi Wang, Eugene A. Eliseev Jan 2019

Flexoelectricity And Ferroelectric Domain Wall Structures: Phase-Field Modeling And Dft Calculations, Yijia Gu, Menglei Li, Anna N. Morozovska, Yi Wang, Eugene A. Eliseev

Yijia Gu

We show that flexoelectric effect is responsible for the non-Ising character of a 180° ferroelectric domain wall. The wall, long considered being of Ising type, contains both Bloch- and Néel-type polarization components. Using the example of classic ferroelectric BaTiO3, and by incorporating the flexoelectric effect into a phase-field model, it is demonstrated that the flexoelectric effect arising from stress inhomogeneity around the domain wall leads to the additional Bloch and Néel polarization components. The magnitudes of these additional components are two or three magnitudes smaller than the Ising component, and they are determined by the competing depolarization and flexoelectric fields ...


Large Kinetic Asymmetry In The Metal-Insulator Transition Nucleated At Localized And Extended Defects, W. Fan, Jinbo Cao, J. Seidel, Yijia Gu, J. W. Yim Jan 2019

Large Kinetic Asymmetry In The Metal-Insulator Transition Nucleated At Localized And Extended Defects, W. Fan, Jinbo Cao, J. Seidel, Yijia Gu, J. W. Yim

Yijia Gu

Superheating and supercooling effects are characteristic kinetic processes in first-order phase transitions, and asymmetry between them is widely observed. In materials where electronic and structural degrees of freedom are coupled, a wide, asymmetric hysteresis may occur in the transition between electronic phases. Structural defects are known to seed heterogeneous nucleation of the phase transition, hence reduce the degree of superheating and supercooling. Here we show that in the metal-insulator transition of single-crystal VO 2, a large kinetic asymmetry arises from the distinct spatial extension and distribution of two basic types of crystal defects: point defects and twin walls. Nanometer-thick twin ...


First-Principles Study Of 180⁰ Domain Walls In Batio₃: Mixed Bloch-Néel-Ising Character, Menglei Li, Yijia Gu, Yi Wang, Long-Qing Chen, Wenhui Duan Jan 2019

First-Principles Study Of 180⁰ Domain Walls In Batio₃: Mixed Bloch-Néel-Ising Character, Menglei Li, Yijia Gu, Yi Wang, Long-Qing Chen, Wenhui Duan

Yijia Gu

The 180⁰ ferroelectric domain walls (FDWs) have long been regarded as purely Ising type in ferroelectrics, but recent theoretical works suggested that they can also have Néel- and/or Bloch-like rotations. Using a combination of first-principles calculations with phase-field simulations, we studied the 180⁰ FDWs on different crystallographic planes in prototypical ferroelectric perovskite BaTiO3. The polarization profiles of 180 FDWs on (100) and (410) planes revealed that the (100)- and (410)-FDWs both exhibit Néel-like character besides their intrinsic Ising character, while the (410)-FDW also simultaneously shows a Bloch-like oblique of ~6 nm, as a consequence of the ...


Low-Symmetry Monoclinic Ferroelectric Phase Stabilized By Oxygen Octahedra Rotations In Strained EuXSr1-XTio₃ Thin Films, Anna N. Morozovska, Yijia Gu, Victoria V. Khist, Maya D. Glinchuk, Long-Qing Chen Jan 2019

Low-Symmetry Monoclinic Ferroelectric Phase Stabilized By Oxygen Octahedra Rotations In Strained EuXSr1-XTio₃ Thin Films, Anna N. Morozovska, Yijia Gu, Victoria V. Khist, Maya D. Glinchuk, Long-Qing Chen

Yijia Gu

Using Landau-Ginzburg-Devonshire theory and phase-field modeling, we explore the complex interplay between a structural order parameter (oxygen octahedron rotation) and polarization in EuxSr1-xTiO3 thin films. Under a biaxially tensile strain, a low-symmetry monoclinic phase with in-plane ferroelectric polarization is found to be stabilized by antiferrodistortive oxygen octahedra tilts. The monoclinic phase is stable over a wide temperature range. It is characterized by a large number of energetically equivalent polar and structural twin domains. This work demonstrates the development of a spontaneous polarization and piezo- and pyroelectricity in a ferroelastic twin boundary arising from flexoelectric coupling ...


Erratum: Orientations Of Low-Energy Domain Walls In Perovskites With Oxygen Octahedral Tilts (Physical Review B - Condensed Matter And Materials Physics (2014) 90 (220101)), Fei Xue, Yijia Gu, Linyun Liang, Yi Wang, Long-Qing Chen Jan 2019

Erratum: Orientations Of Low-Energy Domain Walls In Perovskites With Oxygen Octahedral Tilts (Physical Review B - Condensed Matter And Materials Physics (2014) 90 (220101)), Fei Xue, Yijia Gu, Linyun Liang, Yi Wang, Long-Qing Chen

Yijia Gu

In the Acknowledgment of the original article, the Award No. DMR-0820404 should be replaced by DMR-1420620.