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Item 2D metal carbides and nitrides (MXenes) for energy storage(Nature Publishing Group, 2017-01-17) Anasori, Babak; Lukatskaya, Maria R.; Gogotsi, Yury; Mechanical Engineering and Energy, School of Engineering and TechnologyThe family of 2D transition metal carbides, carbonitrides and nitrides (collectively referred to as MXenes) has expanded rapidly since the discovery of Ti3C2 in 2011. The materials reported so far always have surface terminations, such as hydroxyl, oxygen or fluorine, which impart hydrophilicity to their surfaces. About 20 different MXenes have been synthesized, and the structures and properties of dozens more have been theoretically predicted. The availability of solid solutions, the control of surface terminations and a recent discovery of multi-transition-metal layered MXenes offer the potential for synthesis of many new structures. The versatile chemistry of MXenes allows the tuning of properties for applications including energy storage, electromagnetic interference shielding, reinforcement for composites, water purification, gas- and biosensors, lubrication, and photo-, electro- and chemical catalysis. Attractive electronic, optical, plasmonic and thermoelectric properties have also been shown. In this Review, we present the synthesis, structure and properties of MXenes, as well as their energy storage and related applications, and an outlook for future research.Item 2D MXenes: Tunable Mechanical and Tribological Properties(Wiley, 2021-04-28) Wyatt, Brian C.; Rosenkranz, Andreas; Anasori, Babak; Mechanical and Energy Engineering, School of Engineering and Technology2D transition metal carbides, nitrides, and carbonitrides, known as MXenes, were discovered in 2011 and have grown to prominence in energy storage, catalysis, electromagnetic interference shielding, wireless communications, electronic, sensors, and environmental and biomedical applications. In addition to their high electrical conductivity and electrochemically active behavior, MXenes' mechanical properties, flexibility, and strong adhesion properties play crucial roles in almost all of these growing applications. Although these properties prove to be critical in MXenes' impressive performance, the mechanical and tribological understanding of MXenes, as well as their relation to the synthesis process, is yet to be fully explored. Here, a fundamental overview of MXenes' mechanical and tribological properties is provided and the effects of MXenes' compositions, synthesis, and processing steps on these properties are discussed. Additionally, a critical perspective of the compositional control of MXenes for innovative structural, low-friction, and low-wear performance in current and upcoming applications of MXenes is provided. It is established here that the fundamental understanding of MXenes' mechanical and tribological behavior is essential for their quickly growing applications.Item 2D rare-earth metal carbides (MXenes) Mo2NdC2T2 electronic structure and magnetic properties: A DFT + U study(AIP, 2022) Yao, Shukai; Anasori, Babak; Strachan, Alejandro; Mechanical and Energy Engineering, Purdue School of Engineering and Technology2D rare-earth metal carbides (MXenes) are attractive due to their novel electronic and magnetic properties and their potential as scalable 2D magnets. In this study, we used density functional theory with the Hubbard U correction to characterize the structure, termination, and magnetism in an out-of-plane ordered rare-earth containing M3C2Tx MXene, Mo2NdC2T2 (T = O or OH). We investigated the effect of the U parameter on the stability and magnetism of two possible termination sites: the hollow sites aligned with the inner Nd atoms (Nd-hollow sites) and those aligned with the closest C atoms (C-hollow sites). We found that increasing UMo stabilized the Nd hollow sites, which minimized electrostatic repulsion between C and O atoms. Using UMo = 3.0 eV and UNd = 5.6 eV, obtained via the linear response method, we found that the energetically preferred termination site was C-hollow in Mo2NdC2O2 and Nd-hollow in Mo2NdC2(OH)2. Regardless of termination and the Hubbard U value, we found Mo2NdC2O2 and Mo2NdC2(OH)2 to be magnetic. The C-hollow termination resulted in ferromagnetic states for all Hubbard U tested with no magnetic moment in Mo. In the case of Nd-hollow, Mo became magnetic for UMo ≥ 4 eV. The difference of Mo magnetism in Nd-hollow and C-hollow was explained by crystal field splitting of the Mo d orbital caused by a distorted ligand.Item 2D Titanium Carbide (MXene) Based Films: Expanding the Frontier of Functional Film Materials(Wiley, 2021-11) Li, Guohao; Wyatt, Brian C.; Song, Fei; Yu, Changqiang; Wu, Zhenjun; Xie, Xiuqiang; Anasori, Babak; Zhang, Nan; Mechanical and Energy Engineering, School of Engineering and Technology2D titanium carbide (Ti3C2Tx) MXene films, with their well-defined microstructures and chemical functionality, provide a macroscale use of nano-sized Ti3C2Tx flakes. Ti3C2Tx films have attractive physicochemical properties favorable for device design, such as high electrical conductivity (up to 20 000 S cm–1), impressive volumetric capacitance (1500 F cm–3), strong in-plane mechanical strength (up to 570 MPa), and a high degree of flexibility. Here, the appealing features of Ti3C2Tx-based films enabled by the layer-to-layer arrangement of nanosheets are reviewed. We devote attention to the key strategies for actualizing desirable characteristics in Ti3C2Tx-based functional films, such as high and tunable electrical conductivity, outstanding mechanical properties, enhanced oxidation-resistance and shelf life, hydrophilicity/hydrophobicity, adjustable porosity, and convenient processability. This review further discusses fundamental aspects and advances in the applications of Ti3C2Tx-based films with a focus on illuminating the relationship between the structural features and the resulting performances for target applications. Finally, the challenges and opportunities in terms of future research, development, and applications of Ti3C2Tx-based films are suggested. A comprehensive understanding of these competitive features and challenges shall provide guidelines and inspiration for the further development of Ti3C2Tx-based functional films, and contribute to the advances in MXene technology.Item 2D transition metal carbides (MXenes) in metal and ceramic matrix composites(Springer, 2021-06-02) Wyatt, Brian C.; Nemani, Srinivasa Kartik; Anasori, Babak; Mechanical and Energy Engineering, School of Engineering and TechnologyTwo-dimensional transition metal carbides, nitrides, and carbonitrides (known as MXenes) have evolved as competitive materials and fillers for developing composites and hybrids for applications ranging from catalysis, energy storage, selective ion filtration, electromagnetic wave attenuation, and electronic/piezoelectric behavior. MXenes’ incorporation into metal matrix and ceramic matrix composites is a growing field with significant potential due to their impressive mechanical, electrical, and chemical behavior. With about 50 synthesized MXene compositions, the degree of control over their composition and structure paired with their high-temperature stability is unique in the field of 2D materials. As a result, MXenes offer a new avenue for application driven design of functional and structural composites with tailorable mechanical, electrical, and thermochemical properties. In this article, we review recent developments for use of MXenes in metal and ceramic composites and provide an outlook for future research in this field.Item A 3D microfluidic device fabrication method using thermopress bonding with multiple layers of polystyrene film(IOP, 2015-05) Cao, Yuanzhi; Bontrager-Singer, Jacob; Zhu, Likun; Department of Mechanical Engineering, School of EngineeringIn this article, we present a fabrication method that is capable of making (3D) microfluidic devices with multiple layers of homogeneous polystyrene (PS) film. PS film was chosen as the primary device material because of its advantageous features for microfluidics applications. Thermopress is used as a bonding method because it provides sufficient bonding strength while requiring no heterogeneous bonding materials. By aligning and sequentially stacking multiple layers (3 to 20) of patterned PS film that were achieved by a craft cutter, complicated 3D structured microfluidic devices can be fabricated by multiple steps of thermopress bonding. The smallest feature that can be achieved with this method is approximately 100 μm, which is limited by the resolution of the cutter (25 μm) as well as the thickness of the PS films. Bonding characteristics of PS films are provided in this article, including a PS film bonding strength test, bonding precision assessment, and PS surface wettability manipulation. To demonstrate the capability of this method, the design, fabrication, and testing results of a 3D interacting L-shaped passive mixer are presented.Item 3D Printed ABS and Carbon Fiber Reinforced Polymer Specimens for Engineering Education(Springer, 2016) Golub, Michael; Guo, Xingye; Jung, Mingyo; Zhang, Jing; Department of Mechanical Engineering, School of Engineering and TechnologyThree 3D printed plastic materials, ABS, ABS plus, and CFRP, have been studied for their potential applications in engineering education. Using tensile test, the stress strain curves of the materials have been measured. The Young’s modulus, ultimate strength, and fracture toughness of the materials are calculated from the stress strain curve. The results show that CFRP has the highest stiffness or Young’s modulus. ABS plus has strongest mechanical properties, with highest ultimate strength and fracture toughness. With the measured properties, the 3D printed samples are a viable solution for engineering students to learn mechanical properties of materials.Item A Bi-Level Data-Driven Framework for Fault-Detection and Diagnosis of HVAC Systems feature explainability(Elsevier, 2022-07) Movahed, Paria; Taheri, Saman; Razban, Ali; Mechanical Engineering, School of Engineering and TechnologyMachine learning methods have lately received considerable interest for fault detection diagnostic (FDD) analysis of heating, ventilation, and air conditioning (HVAC) systems due to their high detection accuracy. Meanwhile, HVAC malfunctions are regarded as rare occurrences, hence normal operating data samples are much more accessible than data samples in faulty and malfunctioning conditions. The dominating frequency of normal operation in HVAC datasets have also led to heavily biased classification algorithms within the literature. Moreover, the focus of previous literature has been on increasing accuracy of the models while this leads to a high number of false positives (misleading alarms) in the system. To enhance the performance of diagnostic procedures and fill the mentioned gaps, this study proposes a novel data-driven framework. A bi-level machine learning framework is developed for diagnosing faults in air handling units and rooftop units based on principal component analysis (PCA), time series anomaly detection, and random forest (RF). It is shown that PCA can reduce the dataset dimension with one principal component accounting for 95% of data variance. Also, the random forest could classify the faults with 89% precision for single zone AHU, 85% precision for RTU, and 79% for multi-zone AHU.Item A Comparison of the Ligation Torque Expression of a Ribbonwise Bracket–Archwire Combination and a Conventional Combination: A Primary Study(Hindawi, 2022-09-28) Lin, Bin; Jiang, Feifei; Chen, Jie; Liang, Jiaxing; Mechanical and Energy Engineering, Purdue School of Engineering and TechnologyObjective: To assess the effect of the third-order mechanics of a new ribbonwise bracket-archwire combination using an orthodontic torque simulator. Material and Methods. An orthodontic torque simulator was used to measure the third-order moment of a maxillary central incisor as it changed from a neutral position to a 40° rotation in 1° increment. A new ribbonwise bracket (Xinya, China) was compared with a conventional ligation bracket (American Orthodontic, U.S.A.). The effects of different archwire sizes (i.e., 0.017″ × 0.025″ and 0.019″ × 0.025″) and materials (i.e., nickel-titanium, titanium-molybdenum alloy, and stainless steel) were analyzed. Paired sample t-tests were conducted to compare the moments between the two bracket types corresponding to each of the archwires. The effects of the stiffness of the bracket-archwire complexes were also assessed. Results: Statistically significant differences (P=0.05) between the moments from the two brackets were found. The ribbonwise bracket-archwire complex generated larger moments when the rotation angle was lower than 30°. The ribbonwise brackets produced moments that could reach a threshold of 5 Nmm more quickly as the angle was increased. The higher the stiffness of the complex, the larger the moment. Conclusion: The ribbonwise bracket-archwire complex reached the moment threshold limits earlier than the conventional complex. When the rotation angle is less than 30°, the ribbonwise bracket-archwire complex generated a greater torque moment in comparison with the conventional complex.Item A Control Oriented Soot Prediction Model for Diesel Engines Using an Integrated Approach(American Society of Mechanical Engineers, 2021-11-01) Shewale, Mahesh S.; Razban, Ali; Mechanical Engineering, School of Engineering and TechnologyDiesel engines have been used in many vehicles and power generation units since a long time due to their less fuel consumption and high trustworthiness. With reference to upcoming emission norms, various engine out emissions have proved to be causing adverse effect on human health and environment. Soot, or particulate matter is one of the major pollutants in diesel engine out emissions and causes various lung related issues. There have been efforts to reduce the amount of soot generated using after-treatment devices like diesel particulate filter (DPF) to filter out particles and get clean tailpipe emissions. These technologies increase load on the system and involves additional maintenance. Also, deposition-based soot sensors have been found to be inoperative in certain scenarios like cold start conditions. In this research work, an effort has been made to develop a phenomenological model that predicts soot mass generated in a Cummins 6.7L diesel engine. The model uses in-cylinder conditions such as pressure, bulk mean temperature, fuel mass flow rate and injector orifice diameter. The difference between soot mass formed and oxidized yields the net amount of soot generated at engine out end. Furthermore, the generated soot mass is compared with benchmark results for specific load conditions and appropriate controller is designed to minimize this tradeoff. The control parameter being used here is fuel rail pressure, which controls the lift-off length, and ultimately equivalence ratio, which predicts mass of soot, generated in formation phase. The presented method shows a prediction error ranging from 5–20%, which is significantly reduced to 2% using a PID controller. The approach presented in this research work is generic and can be operated as stand-alone system or an integrated subsystem in a higher order control architecture.