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Articles 1 - 17 of 17
Full-Text Articles in Engineering
Exploring Dft+U Parameter Space With A Bayesian Calibration Assisted By Markov Chain Monte Carlo Sampling, Pedram Tavadze, Reese Boucher, Guillermo Avendaño-Franco, Keenan X. Kocan, Sobhit Singh, Viviana Dovale-Farelo, Wilfredo Ibarra-Hernández, Matthew B. Johnson, David S. Mebane, Aldo H. Romero
Exploring Dft+U Parameter Space With A Bayesian Calibration Assisted By Markov Chain Monte Carlo Sampling, Pedram Tavadze, Reese Boucher, Guillermo Avendaño-Franco, Keenan X. Kocan, Sobhit Singh, Viviana Dovale-Farelo, Wilfredo Ibarra-Hernández, Matthew B. Johnson, David S. Mebane, Aldo H. Romero
Faculty & Staff Scholarship
The density-functional theory is widely used to predict the physical properties of materials. However, it usually fails for strongly correlated materials. A popular solution is to use the Hubbard correction to treat strongly correlated electronic states. Unfortunately, the values of the Hubbard U and J parameters are initially unknown, and they can vary from one material to another. In this semi-empirical study, we explore the U and J parameter space of a group of iron-based compounds to simultaneously improve the prediction of physical properties (volume, magnetic moment, and bandgap). We used a Bayesian calibration assisted by Markov chain Monte Carlo …
Subsurface Analytics: Contribution Of Artificial Intelligence And Machine Learning To Reservoir Engineering, Reservoir Modeling, And Reservoir Management, Shahab D. Mohaghegh
Subsurface Analytics: Contribution Of Artificial Intelligence And Machine Learning To Reservoir Engineering, Reservoir Modeling, And Reservoir Management, Shahab D. Mohaghegh
Faculty & Staff Scholarship
Subsurface Analytics is a new technology that changes the way reservoir simulation and modeling is performed. Instead of starting with the construction of mathematical equations to model the physics of the fluid flow through porous media and then modification of the geological models in order to achieve history match, Subsurface Analytics that is a completely AI-based reservoir simulation and modeling technology takes a completely different approach. In AI-based reservoir modeling, field measurements form the foundation of the reservoir model. Using data-driven, pattern recognition technologies; the physics of the fluid flow through porous media is modeled through discovering the best, most …
Effects Of Oxygen Modification On The Structural And Magnetic Properties Of Highly Epitaxial La0.7sr0.3mno3 (Lsmo) Thin Films, Shalini Kumari, Navid Mottaghi, Chih-Yeh Huang, Robbyn Trappen, Ghadendra Bhandari, Saeed Yousefi, Guerau Cabrera, Mohindar S. Seehra, Mikel B. Holcomb
Effects Of Oxygen Modification On The Structural And Magnetic Properties Of Highly Epitaxial La0.7sr0.3mno3 (Lsmo) Thin Films, Shalini Kumari, Navid Mottaghi, Chih-Yeh Huang, Robbyn Trappen, Ghadendra Bhandari, Saeed Yousefi, Guerau Cabrera, Mohindar S. Seehra, Mikel B. Holcomb
Faculty & Staff Scholarship
La0.7Sr0.3MnO3, a strong semi-metallic ferromagnet having robust spin polarization and magnetic transition temperature (TC) well above 300 K, has attracted significant attention as a possible candidate for a wide range of memory, spintronic, and multifunctional devices. Since varying the oxygen partial pressure during growth is likely to change the structural and other physical functionalities of La0.7Sr0.3MnO3 (LSMO) films, here we report detailed investigations on structure, along with magnetic behavior of LSMO films with same thickness (~30 nm) but synthesized at various oxygen partial pressures: 10, 30, 50, 100, 150, 200 and 250 mTorr. The observation of only ( …
A Novel Cooperative Distributed Secondary Controller For Vsi And Pq Inverters Of Ac Microgrids, F. Doost Mohammadi, H. Keshtkar, A. Dehghan Banadaki, A. Feliachi
A Novel Cooperative Distributed Secondary Controller For Vsi And Pq Inverters Of Ac Microgrids, F. Doost Mohammadi, H. Keshtkar, A. Dehghan Banadaki, A. Feliachi
Faculty & Staff Scholarship
This paper proposes a novel cooperative secondary control strategy for microgrids which is fully distributed. There is a two-layered coordination, which exists between inverter based DGs of both types, i.e. Voltage Source Inverter (VSI) and Current Source Inverter (CSI), also called PQ inverter. In first layer of the proposed two-layered cooperative control strategy, VSIs will take care of the primary average voltage regulation by implementing the average consensus algorithm (ACA); then in the second layer of control, the PQ inverters will improve the voltage quality of the microgrid while maintaining the average voltage of buses at the same desired level. …
Ssaw: A New Sequence Similarity Analysis Method Based On The Stationary Discrete Wavelet Transform, Jie Lin, Donald Adjeroh, Bing-Hua Jiang, Yue Jiang
Ssaw: A New Sequence Similarity Analysis Method Based On The Stationary Discrete Wavelet Transform, Jie Lin, Donald Adjeroh, Bing-Hua Jiang, Yue Jiang
Faculty & Staff Scholarship
Background: Alignment-free sequence similarity analysis methods often lead to significant savings in computational time over alignment-based counterparts.
Results: Anewalignment-freesequencesimilarityanalysismethod,calledSSAWisproposed.SSAWstandsfor Sequence Similarity Analysis using the Stationary Discrete Wavelet Transform (SDWT). It extracts k-mers from a sequence, then maps each k-mer to a complex number field. Then, the series of complex numbers formed are transformed into feature vectors using the stationary discrete wavelet transform. After these steps, the original sequence is turned into a feature vector with numeric values, which can then be used for clustering and/or classification.
Conclusions: Usingtwodifferenttypesofapplications,namely,clusteringandclassification,wecomparedSSAW against the the-state-of-the-art alignment free sequence analysis methods. SSAW demonstrates competitive or …
Insights Into The Magnetic Dead Layer In La0.7sr0.3mno3 Thin Films From Temperature, Magnetic Field And Thickness Dependence Of Their Magnetization, N. Mottaghi, M.S. Seehra, R. Trappen, S. Kumari, Chih-Yeh Huang, S. Yousefi, G.B. Cabrera, A.H. Romero, M.B. Holcomb
Insights Into The Magnetic Dead Layer In La0.7sr0.3mno3 Thin Films From Temperature, Magnetic Field And Thickness Dependence Of Their Magnetization, N. Mottaghi, M.S. Seehra, R. Trappen, S. Kumari, Chih-Yeh Huang, S. Yousefi, G.B. Cabrera, A.H. Romero, M.B. Holcomb
Faculty & Staff Scholarship
Experimental investigations of the magnetic dead layer in 7.6 nm thick film of La0.7Sr0.3MnO3 (LSMO) are reported. The dc magnetization (M) measurements for a sample cooled to T = 5 K in applied field H = 0 reveal the presence of negative remanent magnetization (NRM) in the M vs. H (magnetic field) measurements as well as in the M vs. T measurements in H = 50 Oe and 100 Oe. The M vs. T data in ZFC (zero-field-cooled) and FC (field-cooled) protocols are used to determine the blocking temperature TB in different H. Isothermal hysteresis loops at differ- ent T …
Photoluminescence Mechanism And Applications Of Zn-Doped Carbon Dots, Quan Xu, Wei Cai, Miaoran Zhang, Yingchun Ye, Yeqing Li, Lipeng Zhang, Yongjian Guo, Zhiqiang Yu, Siyu Li, Xun Lin, Yusheng Chen, Yan Lou, Jason Street, Meng Xu
Photoluminescence Mechanism And Applications Of Zn-Doped Carbon Dots, Quan Xu, Wei Cai, Miaoran Zhang, Yingchun Ye, Yeqing Li, Lipeng Zhang, Yongjian Guo, Zhiqiang Yu, Siyu Li, Xun Lin, Yusheng Chen, Yan Lou, Jason Street, Meng Xu
Faculty & Staff Scholarship
Heteroatom-doped carbon dots (CDs) with excellent optical characteristics and negligible toxicity have emerged in many applications including bioimaging, biosensing, photocatalysis, and photothermal therapy. The metal-doping of CDs using various heteroatoms results in an enhancement of the photophysics but also imparts them with multifunctionality. However, unlike nonmetal doping, typical metal doping results in low fluorescence quantum yields (QYs), and an unclear photoluminescence mechanism. In this contribution, we detail results concerning zinc doped CDs (Zn-CDs) with QYs of up to 35%. The zinc ion charges serve as a surface passivating agent and prevent the aggregation of graphene p–p stacking, leading to an …
Graphene Nanoplatelets-Sericin Surface-Modified Gum Alloy For Improved Biological Response, Valentina Mitran, Valentina Dinca, Raluca Ion, Vasile D. Cojocaru, Patricia Neacsu, Cerasela Zoica Dinu, Laurentiu Rusen, Simona Brajnicov, Anca Bonciu, Maria Dinescu, Doina Raducanu, Ioan Dan
Graphene Nanoplatelets-Sericin Surface-Modified Gum Alloy For Improved Biological Response, Valentina Mitran, Valentina Dinca, Raluca Ion, Vasile D. Cojocaru, Patricia Neacsu, Cerasela Zoica Dinu, Laurentiu Rusen, Simona Brajnicov, Anca Bonciu, Maria Dinescu, Doina Raducanu, Ioan Dan
Faculty & Staff Scholarship
In this study a “Gum Metal” titanium-based alloy, Ti-31.7Nb-6.21Zr-1.4Fe-0.16O, was synthesized by melting and characterized in order to evaluate its potential for biomedical applications. The results showed that the newly developed alloy presents a very high strength, high plasticity and a low Young's modulus relative to titanium alloys currently used in medicine. For further bone implant applications, the newly synthesized alloy was surface modified with graphene nanoplatelets (GNP), sericin (SS) and graphene nanoplatelets/sericine (GNP–SS) composite films via Matrix Assisted Pulsed Laser Evaporation (MAPLE) technique. The characterization of each specimen was monitored by scanning electron microscopy (SEM), atomic force microscopy (AFM), …
Mechanism Of Byproducts Formation In The Isobutane/Butene Alkylation On Hy Zeolites, Zhiwei Chen, Feng Gao, Kun Ren, Quangui Wu, Yan Luo, Hongjun Zhou, Meng Zhang, Quan Xu
Mechanism Of Byproducts Formation In The Isobutane/Butene Alkylation On Hy Zeolites, Zhiwei Chen, Feng Gao, Kun Ren, Quangui Wu, Yan Luo, Hongjun Zhou, Meng Zhang, Quan Xu
Faculty & Staff Scholarship
Submicron-size HY zeolites with a particles size of 200–700 nm were synthesized employing a crystal precipitation method in this study. The catalytic activity for the isobutane/butene alkylation was evaluated. The results indicated that butene conversion was above 90% and the selectivity of expected products (C8) was nearly at 90% within 72 h. The micropores-blocking and coverage of acid sites resulting from high hydrocarbons increased the difficulty for the diffusion of products to the bulk and inhibited the adsorption of reactant on activity sites, which caused deactivation of catalyst. The ultimate C12 content in alkylate oil, stemmed from trimerization of butene, …
Sulfur Resistance Of Ce-Mn/Tio2 Catalysts For Low-Temperature Nh3–Scr, Quan Xu, Wenjing Yang, Jason Street, Yan Lou
Sulfur Resistance Of Ce-Mn/Tio2 Catalysts For Low-Temperature Nh3–Scr, Quan Xu, Wenjing Yang, Jason Street, Yan Lou
Faculty & Staff Scholarship
Ce-Mn/TiO2 catalyst prepared using a simple impregnation method demonstrated a better low-temperature selective catalytic reduction of NO with NH3 (NH3–SCR) activity in comparison with the sol-gel method. The Ce-Mn/TiO2 catalyst loading with 20% Ce had the best low-temperature activity and achieved a NO conversion rate higher than 90% at 140–260°C with a 99.7% NO conversion rate at 180°C. The Ce-Mn/TiO2 catalyst only had a 6% NO conversion rate decrease after 100ppm of SO2 was added to the stream. When SO2 was removed from the stream, the catalyst was able to recover completely. The crystal structure, morphology, textural properties and valence …
Cavitons And Spontaneous Hot Flow Anomalies In A Hybrid-Vlasov Global Magnetospheric Simulation, Xochitl Blanco-Cano, Markus Battarbee, Lucile Turc, Andrew P. Dimmock, Emilia K.J. Kilpua, Sanni Hoilijoki, Urs Ganse, David G. Sibeck, Paul A. Cassak, Robert C. Fear, Riku Jarvinen, Liisa Juusola, Yann Pfau-Kempf, Rami Vainio, Minna Palmroth
Cavitons And Spontaneous Hot Flow Anomalies In A Hybrid-Vlasov Global Magnetospheric Simulation, Xochitl Blanco-Cano, Markus Battarbee, Lucile Turc, Andrew P. Dimmock, Emilia K.J. Kilpua, Sanni Hoilijoki, Urs Ganse, David G. Sibeck, Paul A. Cassak, Robert C. Fear, Riku Jarvinen, Liisa Juusola, Yann Pfau-Kempf, Rami Vainio, Minna Palmroth
Faculty & Staff Scholarship
Abstract. In this paper we present the first identification of foreshock cavitons and the formation of spontaneous hot flow anomalies (SHFAs) with the Vlasiator global magne- tospheric hybrid-Vlasov simulation code. In agreement with previous studies we show that cavitons evolve into SHFAs. In the presented run, this occurs very near the bow shock. We report on SHFAs surviving the shock crossing into the down- stream region and show that the interaction of SHFAs with the bow shock can lead to the formation of a magnetosheath cavity, previously identified in observations and simulations. We report on the first identification of long-term …
Learning Local, Quenched Disorder In Plasticity And Other Crackling Noise Phenomena, Stefanos Papanikolaou
Learning Local, Quenched Disorder In Plasticity And Other Crackling Noise Phenomena, Stefanos Papanikolaou
Faculty & Staff Scholarship
When far from equilibrium, many-body systems display behavior that strongly depends on the initial conditions. A characteristic such example is the phenomenon of plasticity of crystalline and amorphous materials that strongly depends on the material history. In plasticity modeling, the history is captured by a quenched, local and disordered flow stress distribution. While it is this disorder that causes avalanches that are commonly observed during nanoscale plastic deformation, the functional form and scaling properties have remained elusive. In this paper, a generic formalism is developed for deriving local disorder distributions from field- response (e.g., stress/strain) timeseries in models of crackling …
Electrostatic Potential And Valence Modulation In La0.7sr0.3mno3 Thin Films, Robbyn Trappen, A. C. Garcia- Castro, Vu Thanh Tra, Chih-Yeh Huang, Wilfredo Ibarra-Hernandez, James Fitch, Sobhit Singh, Jingling Zhou, Guerau Cabrera, Ying-Hao Chu, James M. Lebeau, Aldo H. Romero, Mikel B. Holcomb
Electrostatic Potential And Valence Modulation In La0.7sr0.3mno3 Thin Films, Robbyn Trappen, A. C. Garcia- Castro, Vu Thanh Tra, Chih-Yeh Huang, Wilfredo Ibarra-Hernandez, James Fitch, Sobhit Singh, Jingling Zhou, Guerau Cabrera, Ying-Hao Chu, James M. Lebeau, Aldo H. Romero, Mikel B. Holcomb
Faculty & Staff Scholarship
The Mn valence in thin film La0.7Sr0.3MnO3 was studied as a function of film thickness in the range of 1–16 unit cells with a combination of non-destructive bulk and surface sensitive X-ray absorption spectroscopy techniques. Using a layer-by-layer valence model, it was found that while the bulk averaged valence hovers around its expected value of 3.3, a significant deviation occurs within several unit cells of the surface and interface. These results were supported by first principles calculations. The surface valence increases to up to Mn3.7+, whereas the interface valence reduces down to Mn2.5+. The change in valence from the expected …
Enhanced Hot Electron Lifetimes In Quantum Wells With Inhibited Phonon Coupling, Hamidreza Esmaielpour, Vincent R. Whiteside, Herath P. Piyathilaka, Sangeetha Vijeyaragunathan, Bin Wang, Echo Adcock-Smith, Kenneth P. Roberts, Tetsuya D. Mishima, Michael B. Santos, Alan D. Bristow, Ian R. Sellers
Enhanced Hot Electron Lifetimes In Quantum Wells With Inhibited Phonon Coupling, Hamidreza Esmaielpour, Vincent R. Whiteside, Herath P. Piyathilaka, Sangeetha Vijeyaragunathan, Bin Wang, Echo Adcock-Smith, Kenneth P. Roberts, Tetsuya D. Mishima, Michael B. Santos, Alan D. Bristow, Ian R. Sellers
Faculty & Staff Scholarship
Hot electrons established by the absorption of high-energy photons typically thermalize on a picosecond time scale in a semiconductor, dissipating energy via various phonon-mediated relaxation pathways. Here it is shown that a strong hot carrier distribution can be produced using a type-II quantum well structure. In such systems it is shown that the dominant hot carrier thermalization process is limited by the radiative recombination lifetime of electrons with reduced wavefunction overlap with holes. It is proposed that the subsequent reabsorption of acoustic and optical phonons is facilitated by a mismatch in phonon dispersions at the InAs-AlAsSb interface and serves to …
Single-Site Catalyst Promoters Accelerate Metal- Catalyzed Nitroarene Hydrogenation, Liang Wang, Erjia Guan, Jian Zhang, Junhao Yang, Yihan Zhu, Yu Han, Ming Yang, Cheng Cen, Gang Fu, Bruce C. Gates, Feng-Shou Xiao
Single-Site Catalyst Promoters Accelerate Metal- Catalyzed Nitroarene Hydrogenation, Liang Wang, Erjia Guan, Jian Zhang, Junhao Yang, Yihan Zhu, Yu Han, Ming Yang, Cheng Cen, Gang Fu, Bruce C. Gates, Feng-Shou Xiao
Faculty & Staff Scholarship
Atomically dispersed supported metal catalysts are drawing wide attention because of the opportunities they offer for new catalytic properties combined with efficient use of the metals. We extend this class of materials to catalysts that incorporate atomically dispersed metal atoms as promoters. The catalysts are used for the challenging nitroarene hydro- genation and found to have both high activity and selectivity. The promoters are single-site Sn on TiO2 supports that incorporate metal nanoparticle catalysts. Represented as M/Sn- TiO2 (M = Au, Ru, Pt, Ni), these catalysts decidedly outperform the unpromoted supported metals, even for hydrogenation of nitroarenes substituted with various …
Robust Topological Phase In Proximitized Core–Shell Nanowires Coupled To Multiple Superconductors, Tudor D. Stanescu, Anna Stitek, Andrei Manolescu
Robust Topological Phase In Proximitized Core–Shell Nanowires Coupled To Multiple Superconductors, Tudor D. Stanescu, Anna Stitek, Andrei Manolescu
Faculty & Staff Scholarship
We consider core–shell nanowires with prismatic geometry contacted with two or more superconductors in the presence of a mag- netic field applied parallel to the wire. In this geometry, the lowest energy states are localized on the outer edges of the shell, which strongly inhibits the orbital effects of the longitudinal magnetic field that are detrimental to Majorana physics. Using a tight-binding model of coupled parallel chains, we calculate the topological phase diagram of the hybrid system in the presence of non-vanishing transverse potentials and finite relative phases between the parent superconductors. We show that having finite relative phases strongly …
Induced Ferromagnetism In Multilayered Graphene In Proximity With Cofe2o4, Himanshu Verma, Dereje Seifu, Shashi P. Karna, Haiping Hong, Mohindar S. Seehra
Induced Ferromagnetism In Multilayered Graphene In Proximity With Cofe2o4, Himanshu Verma, Dereje Seifu, Shashi P. Karna, Haiping Hong, Mohindar S. Seehra
Faculty & Staff Scholarship
Composites of anisotropic diamagnetic multilayer Graphene (MLG) and ferrimagnetic CoFe2O4 (CFO) nanoparticles (NPs) were synthesized through a one-step sonication process in the presence of a surfactant. The samples were characterized at ambi- ent using x-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), Raman spectroscopy, magnetic force microscopy (MFM) and magnetometry (vibrating sample magnetometer). An induced ferromagnetism was observed in MLG with saturation magnetization MS = 18 emu/g(MLG). This induced ferromagnetism is attributed to ferrimagnetic CFO uniformly distributed on the surface of diamagnetic MLG. SEM images confirm uniform dense distribu- tion of CFO nanoparticles on MLG. MFM images …