Article
Physics, Applied
Xing Zhang, Yulin Guo, Shahriar Mirpour, Yanru Li, Anbang Sun, Sander Nijdam
Summary: Positive streamers in air are significantly affected by corona discharges, resulting in shorter and weaker discharges or even prevention of initiation. On the other hand, in nitrogen, the impact of corona discharges on streamers is minimal. The differences in streamer behavior between air and nitrogen are attributed to the plasma shielding effect caused by corona discharges.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2021)
Article
Chemistry, Physical
Chiu Ling Ong, Xuefeng Jiang, Joon Ching Juan, Nader Ghaffari Khaligh, Thorsten Heidelberg
Summary: Two organo disulfides compounds, DBDS and DODS, have been synthesized and demonstrate excellent EP performance and anti-wear properties in naphthenic base oil, showing superior performance compared to traditional EP additives like MCCP and ZDDP. This is due to the formation of a protective sulfur-based tribofilm on the interface that enhances the EP property.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Physics, Fluids & Plasmas
J. R. Wubs, H. Hoeft, M. Kettlitz, M. M. Becker, K-D Weltmann
Summary: This study investigates the impact of electrode proximity on the breakdown and development of pulsed-driven dielectric barrier discharges. The results show that a smaller gap distance leads to slower but more accelerated streamer propagation. However, the discharge structure in front of the anode is independent of the actual gap distance once the streamer has crossed the gap.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2022)
Article
Physics, Fluids & Plasmas
Yulin Guo, Yanru Li, Yifei Zhu, Anbang Sun
Summary: By conducting a combined experimental and numerical study, this work investigates the role of photoionization in diffusive ionization waves in different N-2/O-2 mixtures. The ionization wave first forms a spherical shape and then becomes conical near the plane electrode in all gas mixtures. Photoionization mainly affects the ionization wave before its spherical propagation stage and has a slight impact on the propagation velocity, discharge morphology, and width of the ionization wave. The maximum ionization width decreases as the oxygen concentration decreases. The estimation results of the ionization wave width during its spherical propagation stage are in good agreement with the simulation results.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2023)
Article
Physics, Fluids & Plasmas
Ch Ding, A. Jean, N. A. Popov, S. M. Starikovskaia
Summary: The fine structure of a streamer-to-filament transition in a high-voltage nanosecond surface dielectric barrier discharge in molecular nitrogen at pressure P = 6 bar was investigated using ICCD microimaging. An intermediate discharge structure, existing for only a few nanoseconds, was observed between two discharge modes: streamer discharge and filamentary discharge. The structure consists of thin channels propagating faster than the main ionization front and transforms into a bi-directional ionization wave. The study provides important insights into the nature of the streamer-to-filament transition.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2022)
Article
Physics, Applied
Min Zhu, Shengyu Hu, Fangfang Wu, Heng Ma, Shenyi Xie, Chaohai Zhang
Summary: This study investigates the impact of streamer discharge behavior on CO2 conversion efficiency in non-thermal plasma catalysis using packed bed dielectric barrier discharge. By adjusting the parameters of the dielectric rods, such as diameter, quantity, location, and dielectric constant, the intensity, width, and length of the streamer discharge can be controlled, leading to changes in CO2 conversion efficiency. The results show that optimizing the dielectric constant and distance between the dielectric rod and ground electrode can increase the intensity of the streamer discharge, thereby promoting CO2 conversion efficiency. Packing the reactor with ZrO2 dielectric rods significantly improves CO2 conversion and energy efficiency. Overall, this research has important implications for plasma catalysis and provides insights into the structural optimization of PB-DBD catalysts.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2022)
Article
Physics, Fluids & Plasmas
Jiaye Wen, Yuan Li, Zhengquan Ni, Linbo Li, Guanjun Zhang
Summary: This paper presents experimental observations of negative streamers in deionized water, proposing a streamer initiation model and discussing the main causes for streamer morphology evolution and mode transitions.
PLASMA SOURCES SCIENCE & TECHNOLOGY
(2021)
Article
Engineering, Electrical & Electronic
Keigo Yoshida, Atsushi Komuro, Noboru Wada, Teruki Naito, Akira Ando
Summary: In this study, a two-dimensional simulation was performed to investigate the effects of different oxygen fractions on primary and secondary streamers in an atmospheric-pressure dielectric barrier discharge (DBD). The simulation results indicate that the oxygen fraction affects the electric field at the tip of the streamer and the streamer channel.
JOURNAL OF ELECTROSTATICS
(2022)
Article
Chemistry, Multidisciplinary
Cecilia Piferi, Ruggero Barni, H. Eduardo Roman, Claudia Riccardi
Summary: This study examines the statistical properties of asymmetric surface dielectric barrier discharges (SDBD) and finds that the bursts during backward strokes carry positive charge and current, while bursts during forward strokes carry negative charge and current. The analysis suggests that power injection can be tailored for specific plasma applications, and discharge spatial correlation patterns were determined from optical emission measurements.
APPLIED SCIENCES-BASEL
(2021)
Article
Engineering, Chemical
Fellype do Nascimento, Augusto Stancampiano, Kristina Trebulova, Sebastien Dozias, Jan Hrudka, Frantisek Krcma, Jean-Michel Pouvesle, Konstantin Georgiev Kostov, Eric Robert
Summary: This paper provides detailed information about a newly developed plasma system for conductive target non-thermal plasma indirect treatment. The system uses high voltage microsecond duration pulses to ignite a discharge in a glass funnel vessel flushed with argon and equipped with a needle electrode. The air dielectric barrier discharge (DBD) can subsequently be generated in the funnel-DBD setup. The study characterizes the plasma electrode DBD using time-resolved ICCD imaging and voltage and current probes.
PLASMA CHEMISTRY AND PLASMA PROCESSING
(2023)
Article
Physics, Applied
R. Farber, Y. Lu, M. Balmelli, O. Sefl, C. M. Franck
Summary: This paper presents a theoretical and conceptual framework for determining the static breakdown inception thresholds in quasi-uniform gas gaps bounded by dielectric layers. It includes the special case of uncoated metallic electrodes and provides a review of breakdown mechanisms and the applicability of associated criteria. The results show a parametrization of the partial discharge inception voltage for wedge-shaped air gaps and propose a physically motivated parametrization of the ionization threshold. These findings are supported by literature data and own measurements.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Energy & Fuels
Dmitry Beloplotov, Dmitry Sorokin, Victor Tarasenko
Summary: It was found that the voltage across the gap drops as soon as a streamer appears in the vicinity of the pointed electrode, leading to the flow of a pre-breakdown current. The magnitude of the pre-breakdown current and the voltage drop are determined by the rate of formation of dense plasma and the rate of redistribution of the electric field in the gap.
Article
Chemistry, Analytical
Juan F. Ayala-Cabrera, Jasmin Turkowski, Florian Uteschil, Oliver J. Schmitz
Summary: A tube plasma ionization (TPI) open-air source for gas chromatography-mass spectrometry (GC-MS) was developed, and its ionization capabilities were tested using various analytes. Different discharge gases and auxiliary gases were investigated, along with the effects of adding water. Compared to other atmospheric pressure ionization sources, TPI showed a wider range of compound ionization and better detection capability.
ANALYTICAL CHEMISTRY
(2022)
Article
Engineering, Electrical & Electronic
Feng Wang, Lanbo Wang, She Chen, Qiuqin Sun, Lipeng Zhong
Summary: This paper presents a numerical study on the propagation of positive streamers along dielectric surface with different roughness and shape, analyzing the corner effect and other factors involved in streamer propagation. The increase of roughness leads to larger streamer radius, smaller electric field, and inhibition on streamer development. Additionally, streamers accelerate on slopes and decelerate on ascents, with different effects observed on concave and convex surfaces.
IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION
(2021)
Article
Green & Sustainable Science & Technology
Nan Jiang, Xiaoqi Kong, Xiaoling Lu, Bangfa Peng, Zhengyan Liu, Jie Li, Kefeng Shang, Na Lu, Yan Wu
Summary: This study focuses on the investigation of a nanosecond pulsed sliding dielectric barrier discharge (SLDBD) and its application in degrading a chlorinated VOC. The research reveals that the propagation of surface streamers is greatly influenced by the negative DC voltage applied, leading to an increase in the production of excited species and improved degradation efficiency.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Materials Science, Multidisciplinary
Vivek Revi, Saurabh Kasodariya, Anjana Talapatra, Ghanshyam Pilania, Alankar Alankar
Summary: This manuscript explores the application of machine learning methods in predicting elastic constants and mechanical properties of multi-component alloys. Various machine learning models are trained and tested on a dataset of binary alloys using density functional theory calculations, with a focus on feature selection and evaluating predictive performance. The study demonstrates accurate predictions and efficient approximation of elastic properties for alloys beyond binary space, and validates the model against experimentally measured elastic constants of technologically relevant multicomponent alloys. The utility of data-enabled prediction is further illustrated by predicting a wide range of elastic properties for a high-throughput manner in a five-component Ni-Cr-Fe-Mo-W alloy system.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Steven T. Hartman, Ghanshyam Pilania
Summary: This study investigates the valley splitting of eight low-strain interfaces of transition metal dichalcogenides stacked on 2D magnetic substrates using first-principle calculations. The results show that interlayer band hybridization plays a major role in the valley splitting, which is strongly dependent on the Hubbard U correction. The WSe2/CrGeTe3 interface has particularly strong interlayer interactions and can potentially lead to a high valley splitting.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Karteek K. Bejagam, Jessica Lalonde, Carl N. Iverson, Babetta L. Marrone, Ghanshyam Pilania
Summary: This article discusses the potential of using machine learning techniques to establish efficient structure-property mappings in the chemical space of PHAs. An example of predicting melting temperature is used to demonstrate the promise of this approach.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Polymer Science
Karteek K. Bejagam, Nevin S. Gupta, Kwan-Soo Lee, Carl N. Iverson, Babetta L. Marrone, Ghanshyam Pilania
Summary: Polyhydroxyalkanoates (PHAs) are promising biosynthesizable, biocompatible, and biodegradable polymers that can replace petroleum-based plastics to address plastic pollution. However, the structure-property relationships and experimental data on the mechanical properties of PHAs are limited. In this study, molecular dynamics simulations were used to predict the mechanical properties of PHAs. The results show that Young's modulus and yield stress decrease with increasing carbon atom number in the side chain and polymer backbone. The mechanical properties are also strongly correlated with the chemical nature of the functional group.
Article
Materials Science, Multidisciplinary
Amitava Banerjee, Bianca M. Ceballos, Cortney Kreller, Rangachary Mukundan, Ghanshyam Pilania
Summary: This study investigates the electrochemical synthesis of ammonia using density functional theory computation. The research shows that different surface types have a significant impact on the potential-determining step and surface nitrogen vacancy formation is consistently the rate-determining step.
JOURNAL OF MATERIALS SCIENCE
(2022)
Editorial Material
Materials Science, Multidisciplinary
Ghanshyam Pilania, Bryan R. Goldsmith, Mina Yoon, Avinash M. Dongare
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Samuel D. Young, Bianca M. Ceballos, Amitava Banerjee, Rangachary Mukundan, Ghanshyam Pilania, Bryan R. Goldsmith
Summary: This article discusses the potential of metal oxynitrides as a new material category for e-NRR and compares them with metal nitrides and metal oxides. The article focuses on the challenges faced by metal oxynitrides in e-NRR and provides an outlook for future research.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Steven T. Hartman, Ghanshyam Pilania
Summary: This study investigates the doping mechanisms of spinel-structured oxide materials using first-principles calculations. It finds that Ga2FeO4 and Cd2SnO4 can be doped by cation antisites, while Fe3O4 easily forms cation vacancies. By controlling the chemical potentials of different species, the defect concentration in these materials can be widely tuned. The less dopable nature of Al2FeO4 highlights the importance of careful design based on factors such as cation radius.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Astronomy & Astrophysics
Platon I. Karpov, Chengkun Huang, Iskandar Sitdikov, Chris L. Fryer, Stan Woosley, Ghanshyam Pilania
Summary: The article discusses the importance of turbulence in astrophysical phenomena and the challenges in simulating it. The authors have developed a physics-informed convolutional neural network using machine learning to predict turbulent pressure accurately. The study tests the applicability of this method in different turbulent conditions and aims to use it in core-collapse supernova simulations in the future.
ASTROPHYSICAL JOURNAL
(2022)
Article
Materials Science, Multidisciplinary
Kamal Choudhary, Kevin F. Garrity, Steven T. Hartman, Ghanshyam Pilania, Francesca Tavazza
Summary: The authors developed a computational database, website applications, and machine-learning models to accelerate the design and discovery of 2D heterostructures. They generated possible bilayer heterostructures using density functional theory and classified them into three types based on band alignments. They analyzed the chemical trends and validated the results using experimental and hybrid-functional predictions. Web-apps and ML tools were developed for property prediction and band-alignment information. The analysis, results, and applications can be valuable in screening and designing alternative photocatalysts, photodetectors, and high-WF 2D-metal contacts.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Anjana Talapatra, Blas Pedro Uberuaga, Christopher Richard Stanek, Ghanshyam Pilania
Summary: The compositional and structural variety of oxide perovskites allows for a wide range of applications. Machine learning models are used to predict the band gap of perovskite compounds and identify stable and synthesizable compounds with desired band gaps.
COMMUNICATIONS MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
V. Kocevski, J. A. Valdez, B. K. Derby, Y. Q. Wang, G. Pilania, B. P. Uberuaga
Summary: Introduces the importance of metastable forms of matter in our everyday lives, and explains that synthesizing these forms is more of an art than a science. Calculates metastable phase diagrams and extracts the metastability threshold to aid in their fabrication. Uses lanthanide sesquioxides (Ln(2)O(3)) as a case study to demonstrate the insight provided by metastable phase diagrams and predict the sequence of metastable phases induced by irradiation in Lu2O3.
MATERIALS ADVANCES
(2023)
Article
Chemistry, Physical
Vancho Kocevski, Ghanshyam Pilania, Blas P. Uberuaga
Summary: Complex oxides exhibit great functionality due to their varied chemistry and structures. This study introduces a simple metric that correlates the propensity for cation disordering in perovskites, pyrochlores, and spinels with the energy to invert the cation structure. The metric provides a fast and robust way to determine the ease or difficulty of cation disordering, enabling quick screening of compounds for cation-ordering-dependent functionalities.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Christopher Kuenneth, Jessica Lalonde, Babetta L. L. Marrone, Carl N. N. Iverson, Rampi Ramprasad, Ghanshyam Pilania
Summary: This study develops multitask deep neural network property predictors to identify potential replacements for petroleum-based commodity plastics. By using the predictors, 14 PHA-based bioplastics are identified from a diverse set of chemistries, with possible synthesis routes discussed.
COMMUNICATIONS MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Christopher N. Singh, Ghanshyam Pilania, Jan Barta, Blas Pedro Uberuaga, Xiang-Yang Liu
Summary: This study emphasizes the importance of many-particle corrections in simulating luminescent profiles of rare-earth perovskite scintillators, revealing significant differences in excitation wavelengths compared to traditional approaches. Understanding the trade-off between accuracy and performance of various theoretical tools is crucial in defining search parameters for new scintillator development.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
