Engineering Commons^™

Enhancement Of Asphalt Performance By Graphene-Based Bitumen Nanocomposites, Sara Moghtadernejad, Ehsan Barjasteh, Ren Nagata, Haia Malabeh

Mineta Transportation Institute

As the State of California continues to grow, demand for enhanced infrastructure such as roadways and highways escalates. In view of the current average highway lifespan of 15–20 years, the improvement of asphalt binders leads to material sustainability by decreasing required maintenance and increasing the lifespan of roadways. In the present investigation, enhancement of asphalt binder properties was achieved by different methods of mixing varying compositions of graphene nanoparticles with an SBS polymer and asphalt binder. Additionally, experimental evaluation and comparison of the rheological and mechanical properties of each specimen is presented. Graphene nanoparticles have attracted great curiosity in the …

Structural Identification And Damage Detection In Bridges Using Wave Method And Uniform Shear Beam Models: A Feasibility Study, Mehran Rahmani, Manan Naik

Mineta Transportation Institute

This report presents a wave method to be used for the structural identification and damage detection of structural components in bridges, e.g., bridge piers. This method has proven to be promising when applied to real structures and large amplitude responses in buildings (e.g., mid-rise and high-rise buildings). This study is the first application of the method to damaged bridge structures. The bridge identification was performed using wave propagation in a simple uniform shear beam model. The method identifies a wave velocity for the structure by fitting an equivalent uniform shear beam model to the impulse response functions of the recorded …

Manual For Thin Asphalt Overlays, Lerose Lane, R. Gary Hicks, Dingxin Cheng, Erik Updyke

Mineta Transportation Institute

This manual presents best practices on project selection, mix design, and construction to ensure a superior product when constructing thin asphalt overlays. Experience shows these treatments provide excellent performance when placed on pavements in fair to good condition using proper construction techniques. Though sometime referred to by other names, thin asphalt overlays have been widely used for pavement preservation throughout the world for over 50 years.

Limited infrastructure funding at the local, state, and federal levels has resulted in greater emphasis on the use of pavement preservation techniques to extend pavement life and reduce maintenance costs. Thin asphalt overlays are …

Development Of Reduced Chemical Kinetic Models For The Numerical Simulation Of Combustion And Emissions Behavior Of Representative Conventional And Bio-Derived Fuels, Mazen A. Eldeeb

Mineta Transportation Institute

The study addresses two of the main challenges facing combustion modeling for transportation fuels: simultaneous simulation of non-related combustion problems and reducing the computational cost of the modeling process itself. To address the first challenge, researchers determine a characteristic flame time from thermal diffusivity and laminar burning velocity. Researchers examine parametric dependence of flame time and ignition delay time on pressure, temperature and equivalence ratio for methane, based on validated chemical kinetic mechanisms. The study reveals flame time and ignition delay time show similar temperature dependence, flame time has stronger dependence on equivalence ratio and weaker dependence on pressure than …

Optical Response Of Bifeo3 Films Subjected To Uniaxial Strain, Andrew Herklotz, Stefania Rus, Changhee Sohn, Santosh Kc, Valentino Cooper, Er-Jia Guo, Thomas Ward

Faculty Publications

The impact of single-axis lattice expansion on the optical response of BiFeO3 films is examined. Low-energy He implantation is used to tailor morphotropic phases of BiFeO3 films and study changes in their optical spectra with continuously increasing lattice expansion. He ion implantation of epitaxial rhombohedral (R)- and tetragonal (T)-like BiFeO3 films induces uniaxial out-of-plane strain that, on R-like films, eventually leads to a complete R-T phase transition. This approach allows us to provide insights into the optical response of BiFeO3 films. Strain doping of T-like films leads to a significant redshift of the optical absorption spectra that is theoretically explained …

Non-Conventional Mechanism Of Ferroelectric Fatigue Via Cation Migration, Anton Ievlev, Santosh Kc, Rama Vasudevan, Yunseok Kim, Xiaoli Lu, Marin Alexe, Valentino Cooper, Sergei Kalinin, Olga Ovchinnikova

Faculty Publications

The unique properties of ferroelectric materials enable a plethora of applications, which are hindered by the phenomenon known as ferroelectric fatigue that leads to the degradation of ferroelectric properties with polarization cycling. Multiple microscopic models explaining fatigue have been suggested; however, the chemical origins remain poorly understood. Here, we utilize multimodal chemical imaging that combines atomic force microscopy with time-of-flight secondary mass spectrometry to explore the chemical phenomena associated with fatigue in PbZr0.2Ti0.8O3 (PZT) thin films. Investigations reveal that the degradation of ferroelectric properties is correlated with a local chemical change and migration of electrode ions into the PZT structure. …

High Temperature Magneto-Structural Transition In Van Der Waals-Layered -Mocl3, Michael Mcguire, Jiaqiang Yan, Paula Lampen-Kelley, Andrew May, Valentino Cooper, Lucas Lindsay, Alexander Puretzky, Liangbo Liang, Santosh Kc, Ercan Cakmak, Stuart Calder, Brian Sales

Faculty Publications

The crystallographic and magnetic properties of the cleavable 4d3 transition metal compound α−MoCl3 are reported, with a focus on the behavior above room temperature. Crystals were grown by chemical vapor transport and characterized using temperature dependent x-ray diffraction, Raman spectroscopy, and magnetization measurements. A structural phase transition occurs near 585 K, at which the Mo-Mo dimers present at room temperature are broken. A nearly regular honeycomb net of Mo is observed above the transition, and an optical phonon associated with the dimerization instability is identified in the Raman data and in first-principles calculations. The crystals are diamagnetic at room temperature …

Superconductivity At Т≈200 K In Bismuth Cuprates Synthesized Using Solar Energy, J. Chigvinadze, Juana Acrivos, S. Ashimov, D. Gulamova, G. Donadze

Faculty Publications, Chemistry

When investigating low-frequency (0.1 Hz) oscillations of multiphase high-temperature cuprate superconductors (HTCS) Bi1,7Pb0,3Sr2Ca(n-1)CunOy (n=2-30), a wide attenuation peak (ΔT~100 К) with a maximum at Т≈200 К was detected. This peak was particularly pronounced in field cooling (FC) experiments, i.e. after abrupt cooling of the sample in the external magnetic field at the temperature Т<Тс with subsequent slow warming up to room temperature with invariance of the applied field. The attenuation peak height depended on the preliminaryorientation (before cooling) of the samples θ in the measured permanent magnetic field Н. On the one hand, it is well known that, after the FC procedure and subsequent slow warming up, at the temperatures close to the critical temperature Тс, the attenuation peak associated with “melting” of the Abrikosov frozen vortex structure and its disappearance at Т >Тс is detected in monophase samples. At the same time, in most multiphase bismuth HTCS samples, synthesized using solar energy and superfast quenching of the melt, the attenuation peak with the maximum at Т≈200 К was observed.Depending on the conditions of synthesis, the attenuation peak could …

Symmetry Driven Control Of Optical Properties In Wo3 Films, Andreas Herklotz, Stefania Rus, Santosh Kc, Valentino Cooper, Amanda Huon, Er-Jia Guo, Thomas Ward

Faculty Publications

In this work, we demonstrate that the optical bandgap of WO3 films can be continuouslycontrolled through uniaxial strain induced by low-energy helium implantation.The insertion of He into epitaxially grown and coherently strained WO3 films canbe used to induce single axis out-of-plane lattice expansion of up to 2%. Ellipsometricspectroscopy reveals that the optical bandgap is reduced by about 0.18 eVper percent expansion of the out-of-plane unit cell length. Density functional theorycalculations show that this response is a direct result of changes in orbital degeneracydriven by changes in the octahedral rotations and tilts.

Magnetic Behavior And Spin-Lattice Coupling In Cleavable, Van Der Waals Layered Crcl3 Crystals, Michael Mcguire, Genevieve Clark, Santosh Kc, W. Chance, Gerald Jellison, Valentino Cooper, Xiaodong Xu, Brian Sales

Faculty Publications

CrCl3 is a layered insulator that undergoes a crystallographic phase transition below room temperature and orders antiferromagnetically at low temperature. Weak van der Waals bonding between the layers and ferromagnetic in-plane magnetic order make it a promising material for obtaining atomically thin magnets and creating van der Waals heterostructures. In this work we have grown crystals of CrCl3, revisited the structural and thermodynamic properties of the bulk material, and explored mechanical exfoliation of the crystals. We find two distinct anomalies in the heat capacity at 14 and 17 K confirming that the magnetic order develops in two stages on cooling, …

Computational Study Of Mos2/Hfo2 Defective Interfaces For Nanometer-Scale Electronics, Santosh Kc, Roberto Longo, Robert Wallace, Kyeongjae Cho

Faculty Publications

Atomic structures and electronic properties of MoS2/HfO2 defective interfaces are investigated extensively for future field-effect transistor device applications. To mimic the atomic layer deposition growth under ambient conditions, the impact of interfacial oxygen concentration on the MoS2/HfO2 interface electronic structure is examined. Then, the effect on band offsets (BOs) and the thermodynamic stability of those interfaces is investigated and compared with available relevant experimental data. Our results show that the BOs can be modified up to 2 eV by tuning the oxygen content through, for example, the relative partial pressure. Interfaces with hydrogen impurities as well as various structural disorders …

Antiferromagnetism In The Van Der Waals Layered Spin-Lozenge Semiconductor Crte3, Michael Mcguire, V. Ovidiu Garlea, Santosh Kc, Valentino Cooper, Jiaqiang Yan, Huibo Cao, Brian Sales

Faculty Publications

The crystallographic, magnetic, and transport properties of the van der Waals bonded, layered compound CrTe3 have been investigated on single-crystal and polycrystalline materials. The crystal structure contains layers made up of lozenge-shaped Cr4 tetramers. Electrical resistivity measurements show the crystals to be semiconducting, with a temperature dependence consistent with a band gap of 0.3 eV. The magnetic susceptibility exhibits a broad maximum near 300 K characteristic of low dimensional magnetic systems. Weak anomalies are observed in the susceptibility and heat capacity near 55 K, and single-crystal neutron diffraction reveals the onset of long-range antiferromagnetic order at this temperature. Strongly dispersive …

Mechanical Characterization Of Parts Produced By Ceramic On‐Demand Extrusion Process, Amir Ghazanfari, Wenbin Li, Ming Leu, Gregory Hilmas

Faculty Publications, Mechanical Engineering

Ceramic On‐Demand Extrusion (CODE) is an additive manufacturing process recently developed to produce dense three‐dimensional ceramic components. In this paper, the properties of parts produced using this freeform extrusion fabrication process are described. High solids loading (~60 vol%) alumina paste was prepared to fabricate parts and standard test methods were employed to examine their properties including the density, strength, Young's modulus, Weibull modulus, toughness, and hardness. Microstructural evaluation was also performed to measure the grain size and critical flaw size. The results indicate that the properties of parts surpass most other ceramic additive manufacturing processes and match conventional fabrication techniques.

Fabricating Zirconia Parts With Organic Support Material By The Ceramic On-Demand Extrusion Process, Wenbin Li, Amir Ghazanfari, Devin Mcmillen, Andrew Scherff, Ming Leu, Gregory Hilmas

Faculty Publications, Mechanical Engineering

Ceramic On-Demand Extrusion (CODE) is an extrusion-based additive manufacturing process recently developed for fabricating dense, functional ceramic components. This paper presents a further development of this process and focuses on fabricating 3 mol% yttria-stabilized zirconia (3YSZ) components that cannot be fabricated without using support structures. The 3YSZ paste is deposited through the main nozzle, and a polycaprolactone (PCL) pellet feedstock is melted and deposited through an auxiliary nozzle to build support structures. After a green part is printed and dried, the support structures are removed by heating the part to ~70°C to melt the PCL. The part is then sintered …

Electronic Properties Of Mos2/Moox Interfaces: Implications In Tunnel Field Effect Transistors And Hole Contacts, Santosh Kc, Roberto Longo, Rafik Addou, Robert Wallace, Kyeongjae Cho

Faculty Publications

In an electronic device based on two dimensional (2D) transitional metal dichalcogenides (TMDs), finding a low resistance metal contact is critical in order to achieve the desired performance. However, due to the unusual Fermi level pinning in metal/2D TMD interface, the performance is limited. Here, we investigate the electronic properties of TMDs and transition metal oxide (TMO) interfaces (MoS2/MoO3) using density functional theory (DFT). Our results demonstrate that, due to the large work function of MoO3 and the relative band alignment with MoS2, together with small energy gap, the MoS2/MoO3 interface is a good candidate for a tunnel field effect …

Monolayer Mos2 Bandgap Modulation By Dielectric Environments And Tunable Bandgap Transistors, Junga Ryou, Yong-Sung Kim, Santosh Kc, Kyeongjae Cho

Faculty Publications

Semiconductors with a moderate bandgap have enabled modern electronic device technology, and the current scaling trends down to nanometer scale have introduced two-dimensional (2D) semiconductors. The bandgap of a semiconductor has been an intrinsic property independent of the environments and determined fundamental semiconductor device characteristics. In contrast to bulk semiconductors, we demonstrate that an atomically thin two-dimensional semiconductor has a bandgap with strong dependence on dielectric environments. Specifically, monolayer MoS2 bandgap is shown to change from 2.8 eV to 1.9 eV by dielectric environment. Utilizing the bandgap modulation property, a tunable bandgap transistor, which can be in general made of …

Materials Design On The Origin Of Gap States In A High-Κ/Gaas Interface, Weichao Wang, Cheng Gong, Ka Xiong, Santosh Kc, Robert Wallace, Kyeongjae Cho

Faculty Publications

Given the demand for constantly scaling microelectronic devices to ever smaller dimensions, a SiO2 gate dielectric was substituted with a higher dielectric-constant material, Hf(Zr)O2, in order to minimize current leakage through dielectric thin film. However, upon interfacing with high dielectric constant (high-κ) dielectrics, the electron mobility in the conventional Si channel degrades due to Coulomb scattering, surface-roughness scattering, remote-phonon scattering, and dielectric-charge trapping. III-V and Ge are two promising candidates with superior mobility over Si. Nevertheless, Hf(Zr)O2/III-V(Ge) has much more complicated interface bonding than Si-based interfaces. Successful fabrication of a high-quality device critically depends on understanding and engineering the bonding …

Properties Of Partially Stabilized Zirconia Components Fabricated By The Ceramic On-Demand Extrusion Process, Wenbin Li, Amir Ghazanfari, Devin Mcmillen, Ming Leu, Gregory Hilmas, Jeremy Watts

Faculty Publications, Mechanical Engineering

The Ceramic On-Demand Extrusion (CODE) process is a novel additive manufacturing process for fabricating dense ceramic components from aqueous pastes of high solids loading. In this study, 3 mol% Y2O3 stabilized tetragonal zirconia polycrystal (3Y-TZP) parts were fabricated using the CODE process. The parts were then dried in a humidity controlled environmental chamber and sintered under atmospheric pressure. Mechanical properties of the sintered parts were examined using ASTM standard test techniques, including density, Young’s modulus, flexural strength, Weibull modulus, fracture toughness and Vickers hardness. The microstructure was analyzed, and grain size was measured using scanning electron microscopy. The results compared …

A Novel Extrusion-Based Additive Manufacturing Process For Ceramic Parts, Amir Ghazanfari, Wenbin Li, Ming Leu, Gregory Hilmas

Faculty Publications, Mechanical Engineering

An extrusion-based additive manufacturing process, called the Ceramic On-Demand Extrusion (CODE) process, for producing three-dimensional ceramic components with near theoretical density is introduced in this paper. In this process, an aqueous paste of ceramic particles with a very low binder content (<1 vol%) is extruded through a moving nozzle at room temperature. After a layer is deposited, it is surrounded by oil (to a level just below the top surface of most recent layer) to preclude non-uniform evaporation from the sides. Infrared radiation is then used to partially, and uniformly, dry the just-deposited layer so that the yield stress of the paste increases and the part maintains its shape. The same procedure is repeated for every layer until part fabrication is completed. Several sample parts for various applications were produced using this process and their properties were obtained. The results indicate that the proposed method enables fabrication of large, dense ceramic parts with complex geometries.

Surface Oxidation Energetics And Kinetics On Mos2 Monolayer, Santosh Kc, Roberto Longo, Robert Wallace, Kyeongjae Cho

Faculty Publications

In this work, surface oxidation of monolayer MoS2 (one of the representative semiconductors in transition-metal dichalcogenides) has been investigated using density functional theory method. Oxygen interaction with MoS2 shows that, thermodynamically, the surface tends to be oxidized. However, the dissociative absorption of molecular oxygen on the MoS2 surface is kinetically limited due to the large energy barrier at low temperature. This finding elucidates the air stability of MoS2 surface in the atmosphere. Furthermore, the presence of defects significantly alters the surface stability and adsorption mechanisms. The electronic properties of the oxidized surface have been examined as a function of oxygen …

Methods Of Extrusion On Demand For High Solids Loading Ceramic Paste In Freeform Extrusion Fabrication, Wenbin Li, Amir Ghazanfari, Ming Leu, Robert Landers

Faculty Publications, Mechanical Engineering

Fabrication of highly dense parts with complex geometry by paste-extrusion-based solid freeform fabrication processes requires a precise control of the extrusion flow rate to dispense material on demand, which is often referred as Extrusion-On-Demand (EOD). The extrusion process for aqueous ceramic pastes is complex and difficult to control due to their non-Newtonian behavior, compressibility and inhomogeneity. In this study, three methods of EOD (based on ram extruder, needle valve, and auger valve) are introduced and investigated for the extrusion of high solids loading (i.e., >50%, volumetric) aqueous alumina paste. Optimal extrusion process parameters for these methods are determined through printing …

Mos2 Functionalization For Ultra-Thin Atomic Layer Deposited Dielectrics, Angelica Azcatl, Stephen Mcdonnell, Santosh Kc, Xin Peng, Hong Dong, Xiaoye Qin, Rafik Addou, Greg Mordi, Ning Lu, Jiyoung Kim, Moon Kim, Kyeongjae Cho, Robert Wallace

Faculty Publications

The effect of room temperature ultraviolet-ozone (UV-O3) exposure of MoS2 on the uniformity of subsequent atomic layer deposition of Al2O3 is investigated. It is found that a UV-O3 pre-treatment removes adsorbed carbon contamination from the MoS2 surface and also functionalizes the MoS2 surface through the formation of a weak sulfur-oxygen bond without any evidence of molybdenum-sulfur bond disruption. This is supported by first principles density functional theory calculations which show that oxygen bonded to a surface sulfur atom while the sulfur is simultaneously back-bonded to three molybdenum atoms is a thermodynamically favorable configuration. The adsorbed oxygen increases the reactivity of …

Electronic Properties Of Inp (001)/Hfo2 (001) Interface: Band Offsets And Oxygen Dependence, Santosh Kc

Faculty Publications

Using ab-initio methods, atomic structures and electronic properties of InP (001)/HfO2 (001) interface are studied within the framework of density functional theory. We examine the InP/HfO2 model interface electronic structures under varying oxidation conditions. The effects of indium and phosphorous concentrations on interfacial bonding, defect states, band offsets, and the thermodynamic stability at the interface are also investigated. The origin of interfacial gap states in InP (001)/HfO2 (001) interface are proposed, mainly from the P-rich oxides, which is validated by our experimental work. This highlights the importance of surface passivation prior to high-κ deposition based on the in situ spectroscopic …

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

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

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 …

First Principles Study On Inp (001)-(2 × 4) Surface Oxidation, Santosh Kc, Weichao Wang, Hong Dong, Ka Xiong, Roberto Longo, Robert Wallace, Kyeongjae Cho

Faculty Publications

A theoretical study of the oxidation of InP(001)-(2 × 4) surface is performed using density functional theory methods. Our results on surface oxidation show that the oxygen adsorption does not produce any gap states in the bulk InP band gap, due to the saturation of surface In dangling bonds, whereas substitutional oxygen atoms produce gap states. This study also shows that the surface stability increases with the oxygen content, indicating a strong tendency for surface oxidation. Our results help to clarify the origin of surface gap states upon surface oxidation and provide an insight at the atomic level the mechanism …

Interfacial Bonding And Electronic Structure Of Hfo2/Gasb Interfaces: A First-Principles Study, Ka Xiong, Wei-Hua Wang, Dmitry Zhernokletov, Santosh Kc, Roberto Longo, R. Wallace, Kyeongjae Cho

Faculty Publications

The interfacial bonding and electronic structure of HfO2/GaSb interfaces has been investigated through first principles calculations. The calculated electronic structures of these interfaces reveal that some O-rich interfaces are semiconducting interfaces without any gap states. In contrast, for the interfaces with lower interfacial O content, gap states appear in the GaSb band gap, close to the conduction band. The valence band offsets are found to vary from 2.2 eV to 3.6 eV, depending on the interfacial O content. Our results suggest that GaSb is a suitable material to form high quality interface with HfO2.

Engineering Project Laboratory Modules For An Introduction To Materials Course, Stacy Gleixner, Elliot Douglas, Olivia Graeve

Faculty Publications

The final results of curriculum development under an NSF, CCLI-EMD sponsored project, “Development of Project-Based Introductory to Materials Engineering Modules” (DUE # #0341633) is discussed. A multi-university team of faculty developed five lecture and three laboratory modules for use in Introductory to Materials courses. This course is required by most engineering programs in the U.S., with an annual enrollment of 50,000 students.1 This freshman/ sophomore class is an ideal place to excite students about their engineering majors and expose them to real world engineering problems. PRIME Modules, Project Based Resources for Introduction to Materials Engineering, utilize modern materials science and …

Prime Modules: Teaching Introduction To Materials Engineering In The Context Of Modern Technologies, Stacy Gleixner, Elliot Douglas, Olivia Graeve

Faculty Publications

This paper discusses the progress of curriculum development under an NSF, CCLI-EMD sponsored work, “Development of Project-Based Introductory to Materials Engineering Modules” (DUE # #0341633). A multi-university team of faculty is developing five lecture modules for use in Introductory to Materials courses. This course is required by most engineering programs in the U.S., with an annual enrollment of 50,000 students. This freshman/ sophomore class is an ideal place to excite students about their engineering majors and expose them to real world engineering experiences. PRIME Modules are being developed that teach the fundamentals of a traditional introduction to materials engineering course …