Journal of Applied Physics最新文献

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Numerical simulation of He atmospheric pressure plasma jet impinging on the tilted dielectric surface 冲击倾斜介质表面的氦大气压等离子体射流的数值模拟
IF 3.2 3区 物理与天体物理
Journal of Applied Physics Pub Date : 2024-09-19 DOI: 10.1063/5.0232639
Lijun Wang, Huan Zhao, Zhongji Han, Jie Liu
{"title":"Numerical simulation of He atmospheric pressure plasma jet impinging on the tilted dielectric surface","authors":"Lijun Wang, Huan Zhao, Zhongji Han, Jie Liu","doi":"10.1063/5.0232639","DOIUrl":"https://doi.org/10.1063/5.0232639","url":null,"abstract":"The target surface to be treated in reality is often not smooth and horizontal and may also be in different tilting angles. The treatment of the tilted dielectric surface by the atmospheric pressure plasma jet (APPJ) undoubtedly increases the complexity of surface modification. Therefore, a two-dimensional fluid model is established to reveal the internal mechanism of the interaction between the He APPJ and the tilted dielectric surface by means of numerical simulation. The distribution of the gas flow in a small angular range (0°, 3°, 5°, 8°, 10°, and 15°) is studied. In addition, the effects of the tilt angle on the jet morphology, discharge dynamic properties, and species distribution of the He APPJ are emphatically discussed. It is found that the jet morphology and parameters are no longer symmetrical under the tilted surface. With the increase in the tilt angle, the enhanced electric field in the upper surface region leads to the increase in the ionization rate and electron density here, and also accelerates the propagation speed of the jet to the dielectric surface in the atmospheric environment. Driven by the electric field force, the jet is closer to the dielectric surface, resulting in a decrease in the thickness of the cathode sheath and an increase in the surface charge density in the area to the right of the central axis. The influence of the gas flow structure leads to the shortening of the jet development distance and a decrease in the jet velocity on the upper surface. N and O also form higher fluxes on the upper surface due to the increase in the electron density.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"19 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142260242","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}
引用次数: 0
Modeling the diffusion and depletion capacitances of a silicon pn diode in forward bias with impedance spectroscopy 利用阻抗谱模拟正向偏置硅 pn 二极管的扩散和耗尽电容
IF 3.2 3区 物理与天体物理
Journal of Applied Physics Pub Date : 2024-09-19 DOI: 10.1063/5.0230008
P. Casolaro, V. Izzo, G. Giusi, N. Wyrsch, A. Aloisio
{"title":"Modeling the diffusion and depletion capacitances of a silicon pn diode in forward bias with impedance spectroscopy","authors":"P. Casolaro, V. Izzo, G. Giusi, N. Wyrsch, A. Aloisio","doi":"10.1063/5.0230008","DOIUrl":"https://doi.org/10.1063/5.0230008","url":null,"abstract":"We investigated the capacitance of a forward-biased silicon pn diode using impedance spectroscopy. Despite extensive research spanning decades, no single model in the literature adequately describes the impedance behavior for bias up to the built-in voltage. By employing the 1N4007 diode as a case study, we analyzed the impedance over a wide frequency range, from 1 Hz to 1 MHz. Our analysis reveals that impedance can be effectively studied by combining two models. In both models, the depletion capacitance is assumed to be an ideal capacitor with a value independent of frequency. One model accounts for diffusion processes, while the other addresses interfacial effects, as well as potential and capacitance distributions across the junction. This approach offers valuable insights into the complex capacitance behavior of pn junctions as a function of the bias voltage. Measurements of depletion and diffusion capacitances, as well as of the diode transit time can be achieved from a set of impedance spectroscopy data.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"215 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142260245","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}
引用次数: 0
Calibration of Jones–Wilkins–Lee equation of state for unreacted explosives with shock Hugoniot relationship and optimization algorithm 用冲击休格尼奥关系和优化算法校准未反应炸药的琼斯-威尔金斯-李状态方程
IF 3.2 3区 物理与天体物理
Journal of Applied Physics Pub Date : 2024-09-19 DOI: 10.1063/5.0230362
Hao Cui, Junan Wu, Yuxin Xu, Hao Zhou, Rui Guo
{"title":"Calibration of Jones–Wilkins–Lee equation of state for unreacted explosives with shock Hugoniot relationship and optimization algorithm","authors":"Hao Cui, Junan Wu, Yuxin Xu, Hao Zhou, Rui Guo","doi":"10.1063/5.0230362","DOIUrl":"https://doi.org/10.1063/5.0230362","url":null,"abstract":"The unreacted equation of state (EOS) for an unreacted explosive can provide fundamental information to understand any analytical model for the shock and initiation process. Based on the Hugoniot expression in Jones–Wilkins–Lee (JWL) form derived from the Mie–Grüneisen EOS and conservation equation across the shock wave, a three-point calibrating method to determine the JWL EOS parameters for unreacted explosives was developed using intelligent algorithms and shock Hugoniot relationship of the explosives considered. The calibration method proposed utilizes the back propagation neural network to predict the nonlinear system composed of different JWL parameter sets; the genetic algorithm is then used to find the optimal solution of the JWL parameter set. Unreacted JWL EOS parameters of eight typical explosives were calibrated using the calibrating method developed, and an excellent agreement can be observed between JWL EOS and experimental p–v curves for all eight explosives selected, indicating the high accuracy of the three-point calibrating method. However, the effectiveness of the three-point calibrating method was experimentally validated with the experimental data measured from the shock tests of the dihydroxylammonium 5,5′-bitetrazole-1,1′-dioxide (TKX-50)-based explosive, where the JWL p–v curve derived from the three-point calibrating method is in good agreement with the experimental curve.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"17 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142260239","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}
引用次数: 0
Measurement bias in self-heating x-ray free electron laser experiments from diffraction studies of phase transformation in titanium 从钛相变的衍射研究看自加热 X 射线自由电子激光实验中的测量偏差
IF 3.2 3区 物理与天体物理
Journal of Applied Physics Pub Date : 2024-09-19 DOI: 10.1063/5.0215908
O. B. Ball, R. J. Husband, J. D. McHardy, M. I. McMahon, C. Strohm, Z. Konôpková, K. Appel, V. Cerantola, A. L. Coleman, H. Cynn, A. Dwivedi, A. F. Goncharov, H. Graafsma, L. Q. Huston, H. Hwang, J. Kaa, J.-Y. Kim, E. Koemets, T. Laurus, X. Li, H. Marquardt, A. S. J. Méndez, S. Merkel, A. Mondal, G. Morard, V. B. Prakapenka, C. Prescher, T. R. Preston, S. Speziale, S. Stern, B. T. Sturtevant, J. Sztuk-Dambietz, N. Velisavljevic, C.-S. Yoo, U. Zastrau, Zs. Jenei, H. P. Liermann, R. S. McWilliams
{"title":"Measurement bias in self-heating x-ray free electron laser experiments from diffraction studies of phase transformation in titanium","authors":"O. B. Ball, R. J. Husband, J. D. McHardy, M. I. McMahon, C. Strohm, Z. Konôpková, K. Appel, V. Cerantola, A. L. Coleman, H. Cynn, A. Dwivedi, A. F. Goncharov, H. Graafsma, L. Q. Huston, H. Hwang, J. Kaa, J.-Y. Kim, E. Koemets, T. Laurus, X. Li, H. Marquardt, A. S. J. Méndez, S. Merkel, A. Mondal, G. Morard, V. B. Prakapenka, C. Prescher, T. R. Preston, S. Speziale, S. Stern, B. T. Sturtevant, J. Sztuk-Dambietz, N. Velisavljevic, C.-S. Yoo, U. Zastrau, Zs. Jenei, H. P. Liermann, R. S. McWilliams","doi":"10.1063/5.0215908","DOIUrl":"https://doi.org/10.1063/5.0215908","url":null,"abstract":"X-ray self-heating is a common by-product of X-ray Free Electron Laser (XFEL) techniques that can affect targets, optics, and other irradiated materials. Diagnosis of heating and induced changes in samples may be performed using the x-ray beam itself as a probe. However, the relationship between conditions created by and inferred from x-ray irradiation is unclear and may be highly dependent on the material system under consideration. Here, we report on a simple case study of a titanium foil irradiated, heated, and probed by a MHz XFEL pulse train at 18.1 keV delivered by the European XFEL using measured x-ray diffraction to determine temperature and finite element analysis to interpret the experimental data. We find a complex relationship between apparent temperatures and sample temperature distributions that must be accounted for to adequately interpret the data, including beam averaging effects, multivalued temperatures due to sample phase transitions, and jumps and gaps in the observable temperature near phase transformations. The results have implications for studies employing x-ray probing of systems with large temperature gradients, particularly where these gradients are produced by the beam itself. Finally, this study shows the potential complexity of studying nonlinear sample behavior, such as phase transformations, where biasing effects of temperature gradients can become paramount, precluding clear observation of true transformation conditions.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"29 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142260249","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}
引用次数: 0
Revisiting the strain rate sensitivity of the flow stress of copper: Theory and experiment 重新审视铜流动应力的应变率敏感性:理论与实验
IF 3.2 3区 物理与天体物理
Journal of Applied Physics Pub Date : 2024-09-19 DOI: 10.1063/5.0225090
Songlin Yao, Jidong Yu, Xiaoyang Pei, Kai Guo, Enling Tang, Guiji Wang, Qiang Wu
{"title":"Revisiting the strain rate sensitivity of the flow stress of copper: Theory and experiment","authors":"Songlin Yao, Jidong Yu, Xiaoyang Pei, Kai Guo, Enling Tang, Guiji Wang, Qiang Wu","doi":"10.1063/5.0225090","DOIUrl":"https://doi.org/10.1063/5.0225090","url":null,"abstract":"One of the most important issues related to the strength of metals is the strain rate sensitivity of the flow stress. In this study, an analytical model of the flow stress as a function of strain rate is derived theoretically. The model can reproduce the strain rate sensitivity of the flow stress of copper over a wide range of strain rates (up to 109 s−1) quantitatively. Our theoretical derivations indicate that the strain rate sensitivity of the flow stress, especially that above 103 s−1, is a result of both the variation of the dislocation mobility mechanism with stress and the particular stress dependence of dislocation density but is not a result of each single mechanism. In particular, the stress dependence of the dislocation density and the initial dislocation density are critical to the quantitative relation of the flow stress–strain rate at high strain rate and the strain rate threshold, under which the upturn of the flow stress occurs, respectively. Moreover, experiments with copper of different initial dislocation densities at moderate and high strain rate are performed. The strain rate threshold of the flow stress upturn observed in the experiments grows considerably as initial dislocation density increases, which is in accordance with theoretical prediction by our model.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"1 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142260243","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}
引用次数: 0
Optimal demodulation domain for microwave SQUID multiplexers in presence of readout system noise 存在读出系统噪声时微波 SQUID 多路复用器的最佳解调域
IF 3.2 3区 物理与天体物理
Journal of Applied Physics Pub Date : 2024-09-19 DOI: 10.1063/5.0222656
M. E. García Redondo, N. A. Müller, J. M. Salum, L. P. Ferreyro, J. D. Bonilla-Neira, J. M. Geria, J. J. Bonaparte, T. Muscheid, R. Gartmann, A. Almela, M. R. Hampel, A. E. Fuster, L. E. Ardila-Perez, M. Wegner, M. Platino, O. Sander, S. Kempf, M. Weber
{"title":"Optimal demodulation domain for microwave SQUID multiplexers in presence of readout system noise","authors":"M. E. García Redondo, N. A. Müller, J. M. Salum, L. P. Ferreyro, J. D. Bonilla-Neira, J. M. Geria, J. J. Bonaparte, T. Muscheid, R. Gartmann, A. Almela, M. R. Hampel, A. E. Fuster, L. E. Ardila-Perez, M. Wegner, M. Platino, O. Sander, S. Kempf, M. Weber","doi":"10.1063/5.0222656","DOIUrl":"https://doi.org/10.1063/5.0222656","url":null,"abstract":"The Microwave SQUID Multiplexer (μMUX) is the device of choice for the readout of a large number of low-temperature detectors in a wide variety of experiments within the fields of astronomy and particle physics. While it offers large multiplexing factors, the system noise performance is highly dependent on the cold- and warm-readout electronic systems used to read it out, as well as the demodulation domain and parameters chosen. In order to understand the impact of the readout systems in the overall detection system noise performance, first, we extended the available μMUX simulation frameworks, including additive and multiplicative noise sources in the probing tones (i.e., phase and amplitude noise), along with the capability of demodulating the scientific data, either in the resonator’s phase or the scattering amplitude. Then, considering the additive noise as a dominant noise source, the optimum readout parameters to achieve minimum system noise were found for both open-loop and flux-ramp demodulation schemes in the aforementioned domains. Later, we evaluated the system noise sensitivity to multiplicative noise sources under the optimum readout parameters. Finally, as a case study, we evaluated the optimal demodulation domain and the expected system noise level for a typical software-defined radio readout system. This work leads to an improved system performance prediction and noise engineering based on the available readout electronics and the selected demodulation domain.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"62 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142260241","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}
引用次数: 0
Realizing n-type carbon nanotubes via halide perovskite nanowires Cs4MX5 inner filling 通过卤化物过氧化物纳米线 Cs4MX5 内部填充实现 n 型碳纳米管
IF 3.2 3区 物理与天体物理
Journal of Applied Physics Pub Date : 2024-09-19 DOI: 10.1063/5.0225284
Sisi Cao, Qiyao Yang, Juexian Cao, Wangping Xu
{"title":"Realizing n-type carbon nanotubes via halide perovskite nanowires Cs4MX5 inner filling","authors":"Sisi Cao, Qiyao Yang, Juexian Cao, Wangping Xu","doi":"10.1063/5.0225284","DOIUrl":"https://doi.org/10.1063/5.0225284","url":null,"abstract":"N-type carbon nanotubes (CNTs)-based field-effect transistors (FETs) have huge potential applications in low-power consumption tunnel FETs. However, the low-work function metal electrodes can achieve n-type CNTs, but they are easily oxidized due to poor environmental stability. Therefore, based on first-principles calculations, we proposed halide perovskite nanowires Cs4MX5 (M = Pb, Sn; X = Cl, Br, I) inner filling to achieve n-type single-walled CNTs (SWCNTs). The results indicated that all the perovskite nanowires located at the center of the SWCNTs possess high stability. Moreover, the diameter of SWCNTs is a crucial factor affecting the inner filling of perovskite nanowires with an optimal diameter of about 1.4 nm. Furthermore, all the perovskite nanowires Cs4MX5 are excellent electron donors, and the largest charge transfer is up to 1.72 e/nm for Cs4SnI5. Their interaction mechanism reveals that the low work function and the large internal bandgap are two important factors for cubic-phase nanowires to realize the n-type CNTs. Our findings provide some candidate materials and a feasible way to achieve n-type CNTs for applying CNTs-based FETs.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"10 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142260279","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}
引用次数: 0
Laser absorption correction for hydroxyl planar laser induced fluorescence measurements in a centrally staged combustor at elevated pressures 高压下中央分段燃烧器中羟基平面激光诱导荧光测量的激光吸收校正
IF 3.2 3区 物理与天体物理
Journal of Applied Physics Pub Date : 2024-09-19 DOI: 10.1063/5.0228168
Kexin Ji, Xin Hui, Chao Tao, Xin Xue, Qiang An
{"title":"Laser absorption correction for hydroxyl planar laser induced fluorescence measurements in a centrally staged combustor at elevated pressures","authors":"Kexin Ji, Xin Hui, Chao Tao, Xin Xue, Qiang An","doi":"10.1063/5.0228168","DOIUrl":"https://doi.org/10.1063/5.0228168","url":null,"abstract":"Planar laser-induced fluorescence (PLIF) is a crucial spectroscopic technique for measuring minor species [e.g., hydroxyl (OH), methylene (CH), and nitric oxide (NO) radicals] in combustion research, owing to its non-intrusive nature and high sensitivity. However, laser energy attenuation due to absorption poses significant challenges to its application under high-pressure conditions, which may cause asymmetric image intensity distribution along the light propagation direction. An absorption correction method for OH PLIF based on the concept of maximum number density is proposed in the present study. This method offers several key advantages, including simplicity, high accuracy, and versatility, allowing for correcting both time-averaged and instantaneous OH PLIF images. OH PLIF data obtained from a centrally staged combustor at elevated pressures (i.e., 0.3, 0.6, and 1.0 MPa) are utilized to validate the method. Correction for the time-averaged PLIF images achieves a much more symmetric distribution of OH, revealing the overall flame structures that would not have been completely visualized from the original images. The fronts of the pilot and main stage flames have also been recovered from the corrected instantaneous images. This correction algorithm provides an effective way of enhancing data quality for high-cost OH PLIF measurements at pressurized conditions.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"118 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142260280","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}
引用次数: 0
Focus control of a concave–convex ultrasonic gel lens in the radial direction 凹凸超声波凝胶透镜径向聚焦控制
IF 3.2 3区 物理与天体物理
Journal of Applied Physics Pub Date : 2024-09-18 DOI: 10.1063/5.0218754
K. Tagashira, Y. Harada, K. Nakamura, H. Miki, M. Matsukawa, D. Koyama
{"title":"Focus control of a concave–convex ultrasonic gel lens in the radial direction","authors":"K. Tagashira, Y. Harada, K. Nakamura, H. Miki, M. Matsukawa, D. Koyama","doi":"10.1063/5.0218754","DOIUrl":"https://doi.org/10.1063/5.0218754","url":null,"abstract":"Optical image stabilization (OIS) systems maintain the three-dimensional focal position of a lens through mechanical actuation systems. This paper examines an optical lens for OIS that utilizes ultrasound vibration to alter the focal position, not only in the depth direction but also in the radial direction. The lens has a simple structure with no mechanical moving parts and consists of an ultrasound transducer divided into four pieces, a glass disk, and a transparent viscoelastic gel film that functions as a lens. The acoustic radiation force generated by the resonant flexural vibration of the glass disk can alter the surface profile of the gel film, allowing for a variable-focus function. The concave and convex lenses can be interchanged using two resonant vibration modes: the standing-wave mode, in which the vibration loop appears at the center, and the traveling-wave mode, in which the vibration node appears at the center. The positions of ultrasound vibrations on the lens can be controlled in a two-dimensional plane by adjusting the driving amplitudes of each channel, thereby achieving focus control in the radial direction. The focusing characteristics of the lens are evaluated through ray-tracing simulation.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"17 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142260288","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}
引用次数: 0
Continuum models for meso-scale simulations of HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) guided by molecular dynamics: Pore collapse, shear bands, and hotspot temperature 分子动力学指导下的 HMX(1,3,5,7-tetranitro-1,3,5,7-tetrazocane)中尺度模拟连续模型:孔隙塌陷、剪切带和热点温度
IF 3.2 3区 物理与天体物理
Journal of Applied Physics Pub Date : 2024-09-18 DOI: 10.1063/5.0232413
Yen Thi Nguyen, Chukwudubem Okafor, Puhan Zhao, Oishik Sen, Catalin R. Picu, Tommy Sewell, H. S. Udaykumar
{"title":"Continuum models for meso-scale simulations of HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane) guided by molecular dynamics: Pore collapse, shear bands, and hotspot temperature","authors":"Yen Thi Nguyen, Chukwudubem Okafor, Puhan Zhao, Oishik Sen, Catalin R. Picu, Tommy Sewell, H. S. Udaykumar","doi":"10.1063/5.0232413","DOIUrl":"https://doi.org/10.1063/5.0232413","url":null,"abstract":"Meso-scale calculations of energy localization and initiation in energetic material microstructures must capture the deformation and collapse of pores and high-temperature shear bands, which lead to hotspots. Because chemical reaction rates depend sensitively on temperature, predictive continuum models need to get the pore-collapse dynamics and resulting hotspot temperatures right; this imposes stringent demands on the fidelity of thermophysical model forms and parameters and on the numerical methods employed to perform high-resolution meso-scale calculations. Here, continuum material models for β-HMX are examined in the context of shock-induced pore collapse, treating predictions from all-atom molecular dynamics (MD) simulations as ground truth. Using atomistics-consistent material properties, we show that the currently available strength models for HMX fail to correctly capture pore collapse and hotspot temperatures. Insights from MD are then employed to advance a Modified Johnson–Cook (M-JC) strength model, which is shown to capture key aspects of the physics of shock-induced localization in HMX. The study culminates in a MD-guided strength model for β-HMX that produces continuum pore-collapse results in better alignment on several aspects with those predicted by MD, including pore-collapse mechanism and rate, shear-band formation in the collapse zone, and temperature, strain, and stress fields in the hotspot zone and the surrounding material. The resulting MD-informed/MD-determined M-JC model should improve the fidelity of meso-scale simulations to predict the detonation initiation of HMX-based energetic materials in microstructure-aware multi-scale frameworks.","PeriodicalId":15088,"journal":{"name":"Journal of Applied Physics","volume":"31 1","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142260285","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}
引用次数: 0
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