Huyang Li, Yuhang Jing, Zhongli Liu, Lingzhi Cong, Junqing Zhao, Yi Sun, Weiqi Li, Jihong Yan, Jianqun Yang, Xingji Li
{"title":"A machine-learning interatomic potential to study dry/wet oxidation process of silicon","authors":"Huyang Li, Yuhang Jing, Zhongli Liu, Lingzhi Cong, Junqing Zhao, Yi Sun, Weiqi Li, Jihong Yan, Jianqun Yang, Xingji Li","doi":"10.1063/5.0219764","DOIUrl":"https://doi.org/10.1063/5.0219764","url":null,"abstract":"We developed an accurate and efficient machine learning potential with DFT accuracy and applied it to the silicon dry/wet oxidation process to investigate the underlying physics of thermal oxidation of silicon (001) surfaces. The accuracy of the potential was verified by comparing the melting point and structural properties of silicon, the structural properties of a-SiO2, and the adsorption properties on the silicon surface with experiment and DFT data. In subsequent thermal oxidation simulations, we successfully reproduced the accelerated growth phenomenon of the wet oxidation in the experiment, discussed the oxide growth process in detail, and elucidated that the accelerated growth is due to hydrogen in the system that both enhances the adsorption of oxygen on the silicon surface and promotes the migration of oxygen atoms. Finally, we annealed the oxidized structure, counted the defect information in the structure before and after annealing, and analyzed the defect evolution behavior during the annealing process.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"18 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pannawit Tipsawat, Xiaojun Zheng, Quyen T. Tran, Thomas N. Jackson, Susan Trolier-McKinstry
{"title":"Quantitative piezoelectric measurements of partially released Pb(Zr, Ti)O3 structures","authors":"Pannawit Tipsawat, Xiaojun Zheng, Quyen T. Tran, Thomas N. Jackson, Susan Trolier-McKinstry","doi":"10.1063/5.0215677","DOIUrl":"https://doi.org/10.1063/5.0215677","url":null,"abstract":"The effective large signal longitudinal piezoelectric coefficient (d33,f∗) of piezoelectric thin films on rigid substrates has been widely investigated. Unclamped piezoelectric thin films are predicted to have a higher d33,f∗ coefficient due to reduced constraints on piezoelectric strain, domain reorientation, and domain wall motion, but quantitative measurements of this coefficient have been limited. This study uses microfabrication techniques along with double-beam laser interferometry (DBLI) to accurately determine the longitudinal piezoelectric coefficient of Pb(Zr,Ti)O3 thin films in partially released piezomicroelectromechanical structures. A two-step backside release process was used: first, deep reactive ion etching to create backside vias and second, wet etching of the ZnO sacrificial layer to release the area beneath the Pb(Zr,Ti)O3 thin films. Post wet etching, optical profilometry showed concavely deformed diaphragms resulting from asymmetrical stress profiles through the diaphragm thickness. DBLI was then used to examine diaphragm deflection under an applied unipolar voltage ranging from 0 to 10 V. Devices with 50% and 75% of the area beneath the top electrode released exhibited large signal d33,f∗ values of 410 ± 6 and 420 ± 8 pm/V, respectively, more than three times higher than the d33,f∗ value of the clamped samples: 126 ± 13 pm/V. The reasons contributing to the large d33,f∗ include (i) the change in stress levels due to the release process, (ii) the elimination of mechanical constraints from substrate clamping, and (iii) enhanced domain reorientation. These findings confirm that substrate declamping significantly boosts the piezoelectric coefficient, bringing d33,f∗ closer to the bulk longitudinal piezoelectric coefficient (d33).","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"10 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jesse G. Callanan, Daniel T. Martinez, Sara Ricci, Nicholas K. Brewer, Benjamin K. Derby, Brandon J. Lovato, Kendall J. Hollis, Saryu J. Fensin, David R. Jones
{"title":"Dynamic and quasi-static strength of additively repaired aluminum","authors":"Jesse G. Callanan, Daniel T. Martinez, Sara Ricci, Nicholas K. Brewer, Benjamin K. Derby, Brandon J. Lovato, Kendall J. Hollis, Saryu J. Fensin, David R. Jones","doi":"10.1063/5.0222267","DOIUrl":"https://doi.org/10.1063/5.0222267","url":null,"abstract":"Additive manufacturing has the potential to repair high value components, saving significant time and resources; however, the level of reliability and performance of additive repairs is still relatively unknown. In this work, the structure–property and performance of laser wire additive manufacturing repairs in 1100 aluminum are investigated. Two types of intentional damage are inflicted on the samples and subsequently repaired with pulsed laser deposition additive manufacturing. Quasi-static (10−3s−1) and high strain-rate (10−3s−1) mechanical testing is carried out with in situ diagnostics and post-mortem imaging. The results show that while the quasi-static strength and ductility of samples with a repaired region are lower than a pristine sample, the dynamic strength under shock loading is comparable. This work highlights both the potential utility of additive manufacturing for repair purposes, the significant risk of compromised performance of additive parts under specific conditions, and the need to test at varying strain rates to fully characterize material performance.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"61 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Flexible memristors with low-operation voltage and high bending stability based on Cu2AgBiI6 perovskite","authors":"Xinci Chen, Xiang Yin, Zicong Li, Lingyu Meng, Xiaoli Han, Zhijun Zhang, Xianmin Zhang","doi":"10.1063/5.0231148","DOIUrl":"https://doi.org/10.1063/5.0231148","url":null,"abstract":"Cu2AgBiI6 films were prepared by a one-step spin coating method, and flexible memristors with an Ag/PMMA/Cu2AgBiI6/ITO structure were constructed. The devices showed a bipolar resistive switching behavior with low switching voltage, which is beneficial for reducing energy consumption. Furthermore, this study found that the device exhibits an endurance of about 900 cycles, a higher ON/OFF ratio of over 103, a long retention time (∼104 s), and high stabilities against mechanical stress. Remarkably, the present flexible memristor displayed extraordinary flexibility and stability, with no significant change for the resistive switching behavior even at various bending angles or after undergoing 900 bending cycles. This study establishes that the lead-free halide perovskite Cu2AgBiI6 can be used for the resistive random-access memory of flexible electronics.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"14 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Addressing accuracy by prescribing precision: Bayesian error estimation of point defect energetics","authors":"Andrew Timmins, Rachel C. Kurchin","doi":"10.1063/5.0211543","DOIUrl":"https://doi.org/10.1063/5.0211543","url":null,"abstract":"With density functional theory (DFT), it is possible to calculate the formation energy of charged point defects and in turn to predict a range of experimentally relevant quantities, such as defect concentrations, charge transition levels, or recombination rates. While prior efforts have led to marked improvements in the accuracy of such calculations, comparatively modest effort has been directed at quantifying their uncertainties. However, in the broader DFT research space, the development of Bayesian Error Estimation Functionals (BEEF) has enabled uncertainty quantification (UQ) for other properties. In this paper, we investigate the utility of BEEF as a tool for UQ of defect formation energies. We build a pipeline for propagating BEEF energies through a formation-energy calculation and test it on intrinsic defects in several materials systems spanning a variety of chemistries, bandgaps, and crystal structures, comparing to prior published results where available. We also assess the impact of aligning to a deep-level transition rather than to the VBM (valence band maximum). We observe negligible dependence of the estimated uncertainty upon a supercell size, though the relationship may be obfuscated by the fact that finite-size corrections cannot be computed separately for each member of the BEEF ensemble. Additionally, we find an increase in estimated uncertainty with respect to the absolute charge of a defect and the relaxation around the defect site without deep-level alignment, but this trend is absent when the alignment is applied. While further investigation is warranted, our results suggest that BEEF could be a useful method for UQ in defect calculations.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"3 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
H. Khelidj, A. Portavoce, K. Hoummada, M. Bertoglio, M. C. Benoudia, M. Descoins, D. Mangelinck
{"title":"Nickel stanogermanides thin films: Phases formation, kinetics, and Sn segregation","authors":"H. Khelidj, A. Portavoce, K. Hoummada, M. Bertoglio, M. C. Benoudia, M. Descoins, D. Mangelinck","doi":"10.1063/5.0220979","DOIUrl":"https://doi.org/10.1063/5.0220979","url":null,"abstract":"Ge1−xSnx thin films with a Sn content of x ≥ 0.1 present a direct bandgap, which is very interesting for the fabrication of efficient photonic devices. The monostanogermanide phase, Ni(GeSn), is promising to form ohmic contact in GeSn-based Si photonic devices. However, the formation kinetics of Ni stanogermanides and the incorporation of Sn in Ni–GeSn phases are not fully understood. In this work, Ni thin films were deposited on Ge and Ge0.9Sn0.1 layers grown in epitaxy on an Si(100) substrate using magnetron sputtering technique. In situ x-ray diffraction measurements were performed during the solid-state reaction of Ni/Ge and Ni/Ge0.9Sn0.1. 1D finite difference simulations based on the linear parabolic model were performed to determine the kinetics parameters for phase growth. The nucleation and growth kinetics of Ni germanides are modified by the addition of Sn. A delay in the formation of Ni(GeSn) was observed and is probably due to the stress relaxation in the Ni-rich phase. In addition, the thermal stability of the Ni(GeSn) phase is highly affected by Sn segregation. A model was developed to determine the kinetic parameters of Sn segregation in Ni(GeSn).","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"47 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226147","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Dynamic behavior and stability control of skyrmionium in periodic PMA/damping gradient nanowires","authors":"Luowen Wang, Sunan Wang, Wenjin Li, Xiaoping Gao, Ziyang Yu, Qingbo Liu, Lun Xiong, Zhihong Lu, Yue Zhang, Rui Xiong","doi":"10.1063/5.0223052","DOIUrl":"https://doi.org/10.1063/5.0223052","url":null,"abstract":"Magnetic skyrmioniums—with a composite structure comprising two skyrmions with opposite topological charges, exhibit unique dynamic behaviors that are crucial for technological advancements and have application potential for high-density and nonvolatile memory. This study explores the impact of periodic perpendicular magnetic anisotropy (PMA) and damping gradients on skyrmioniums. Utilizing the object oriented micromagnetic framework for detailed simulations, the effective control and enhancement of the skyrmionium stability and mobility through the periodic modulation of PMA and damping gradients is demonstrated. The results demonstrate the dynamic behavior and stability control of skyrmioniums in periodic PMA/damping gradient nanowires. Moreover, the critical influence of the periodic gradient on the skyrmionium motion and stability is highlighted. The results present new avenues for developing advanced memory technologies, leveraging skyrmionium's unique nonlinear behaviors to improve the device performance and reliability.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"3 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
F. Conti, A. Williams, H. U. Rahman, V. Fadeev, D. P. Higginson, A. Youmans, N. Aybar, E. Ruskov, F. N. Beg
{"title":"Neutron-producing gas puff Z-pinch experiments on a fast, low-impedance, 0.5 MA linear transformer driver","authors":"F. Conti, A. Williams, H. U. Rahman, V. Fadeev, D. P. Higginson, A. Youmans, N. Aybar, E. Ruskov, F. N. Beg","doi":"10.1063/5.0218390","DOIUrl":"https://doi.org/10.1063/5.0218390","url":null,"abstract":"A study on the neutron production from single and double gas puff Z-pinches on the CESZAR linear transformer driver with ∼0.45 MA current and 170 ns rise time is presented. Total neutron yield measurements made with a LaBr activation detector are compared for three configurations, using a double nozzle setup. When a single, hollow, deuterium gas shell was used, reliable implosions could only be attained at higher load mass than the optimal value to match implosion time with the driver rise time, with neutron yields of ∼106 per pulse. The use of a double gas puff configuration with a deuterium center jet allowed a reduction in the shell density and operation closer to machine-matched conditions, recording up to (4.1 ± 0.3) × 107 neutrons/pulse when either Kr or D2 was used in the shell. For a comparable mass and implosion time, using a higher atomic-number gas in the outer shell results in more unstable plasma surface and smaller plasma radius at the location of instability bubbles, which, however, do not seem to consistently correlate with a higher neutron yield. Comparing implosion dynamics with models and neutron yields with literature scaling suggests that the machine current is not well coupled to the plasma during the final stages of compression. Optimizing current and energy coupling to the pinched plasma is critical to improving performance, particularly in low-impedance drivers.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"43 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Relationship between the induced voltage of a rotor bar and the rotation characteristics of a high-temperature superconducting induction motor","authors":"T. Nakamura, Y. Ogama","doi":"10.1063/5.0219918","DOIUrl":"https://doi.org/10.1063/5.0219918","url":null,"abstract":"Although high-temperature superconducting induction motors have a simple structure, they are distinguished by their high efficiency and high power density. However, an accurate theoretical model that defines the primary electrical characteristics controlling the motor has not been established because of the nonlinear characteristics of high-temperature superconducting squirrel-cage rotor winding. As part of establishing such a model, an experiment was conducted to analyze the relationship between the induced voltage of the rotor bar in a high-temperature superconducting squirrel-cage rotor winding and stator-side quantities (voltage and transport current), as well as its rotation characteristics. A subject was a 1.5 kW class induction motor using Bi–Sr–Ca–Cu–O high-temperature superconducting rotor bars and the experiment was performed at a temperature and a frequency of 77 K and 60 Hz, respectively. The induced voltages of the rotor bars were measured by applying a rotating magnetic field and exhibited a distorted waveform characterized by a third-order harmonic in a magnetic flux flow state. Despite the distorted voltage waveform of the rotor bar, the stator transport current responsible for driving the induction motor remained unaffected and the motor initiated rotation in a slip rotation mode. From the above results, it was experimentally clarified that a stator voltage exceeding the critical current of the rotor bar must be applied when starting the induction motor. It was also shown that the rotor bar can be regarded as a constant resistance for a constant effective value of the stator current when transitioning the motor into a slip rotation state.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"1 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Haiou Wang, Fuxiao Dong, Haochen Wang, Bojun Zhao, Yan Wang, Weishi Tan
{"title":"Magnetic properties, critical behavior, and magnetocaloric effect of Nd1−xSrxMnO3 (0.2 ≤ x ≤ 0.5): The role of Sr doping concentration","authors":"Haiou Wang, Fuxiao Dong, Haochen Wang, Bojun Zhao, Yan Wang, Weishi Tan","doi":"10.1063/5.0229032","DOIUrl":"https://doi.org/10.1063/5.0229032","url":null,"abstract":"Magnetic characteristics, magnetocaloric effect, and critical behavior of Nd1−xSrxMnO3 compounds by Sr doping (x = 0.2, 0.3, 0.4, 0.5) were studied. All samples maintained orthorhombic structures, but the space group changed from Pnma (No. 62) for x = 0.2, 0.3 to Imma (No. 74) for x = 0.4, 0.5. As Sr doping increased, the Curie temperature (TC), Curie–Weiss temperature (TCW), and magnetization increased, attributed to the double exchange (DE) interaction. A discrepancy between TCW and TC was observed due to the competition between polarons and DE interaction. The critical behavior was investigated systematically using the self-consistent (modified Arrott plots, MAP) method and the Kouvel–Fisher (KF) relation. The KF relation was suitable for the samples with x = 0.2 and 0.5, while the MAP method was suitable for the samples with x = 0.3 and 0.4. Among the Ising, XY, Heisenberg, and mean-field models, the samples with x = 0.2, 0.3, and 0.4 aligned more closely with the mean-field model, except for the x = 0.5 sample. Entropy change (−ΔSM) of Nd1−xSrxMnO3 (0.2 ≤ x ≤ 0.5) increased with the applied field, with the maximum value observed around TC. For the sample with x = 0.3, (−ΔSM) reached 4.315 J/kg K at μ0ΔH = 50 kOe, corresponding to a relative cooling power (RCP) of 280.48 J/kg. Remarkably, the x = 0.4 sample displayed (−ΔSM) of 3.298 J/kg K at μ0ΔH = 50 kOe near room temperature, with the RCP of 283.64 J/kg. These findings underscore the role of Sr doping in tuning the magnetic properties, critical behavior, and magnetocaloric effect of NdMnO3.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"16 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142204380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}