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Effect of stress-dependent microannulus aperture on well leakage

Journal of Rock Mechanics and Geotechnical Engineering 2024年第6期16卷 1967-1976页

作者： Meng Meng Luke P.Frash J.William Carey Mohamed Mehana Wenfeng Li Bailian Chen Earth and Environmental sciences Los Alamos National LaboratoryLos AlamosNMUSA

Debonding at the cement-casing interface is recognized as a principal failure mechanism leading to CO_(2) leakage in *** detachment gives rise to a microannulus,which notably possesses greater permeability than undamaged cement,undermining its sealing ***,the permeability of the microannulus is regarded as a uniform value throughout the ***,fundamentally,a microannulus is one type of fracture,and its gap or aperture size is affected by the effective *** this work,we developed a unique experimental *** equipment facilitates the curing of cement inside a steel casing,the formation of a microannulus between the casing and the cement,and the investigation of the fluid flow dynamics along the microannulus under laboratory-replicated in situ *** microannulus was formed by injecting fluid from one end of the setup,and receiving similar amount of fluid on the other end signified the development of the leakage ***,strain gauges affixed to the casing’s external surface yielded key information on the microannulus’s opening and *** observed a noticeable decline in microannulus hydraulic aperture(or permeability)in relation to effective stress and an exponential equation fits their *** findings also indicate a distinct behavior when comparing liquid CO_(2) with ***,it is easier for liquid CO_(2) to create the ***,the hydraulic aperture range for this microannulus(0.7-6 mm)is considerably smaller than that created by water flow(2-17 mm).Finally,we integrated the stressdependent microannulus aperture size into the combined analysis of well mechanical integrity and well *** outcomes consistently demonstrated that when factoring in the stress-dependent aperture sizes,the leakage rates are 3e5 times compared to a fixed aperture *** traditional assumption of a constant aperture significantly underestimates fluid leakage risks.

关键词： Microannulus Leakage assessment Aperture size Triaxial experiment Carbon sequestration

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unimolecular Reactions of E-Glycolaldehyde Oxide and Its Reactions with One and Two Water Molecules

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Research 2024年第1期2023卷 809-824页

作者： Yan sun Bo Long Donald G.Truhlar department of Physics Guizhou UniversityGuiyang 550025China College of Materials science and Engineering Guizhou Minzu UniversityGuiyang 550025China department of Chemistry Chemical Theory Centerand Supercomputing InstituteUniversity of MinnesotaMinneapolisMN 55455-0431USA

The kinetics of Criegee intermediates are important for atmospheric ***,the quantitative kinetics of Criegee intermediates are still very limited,especially for those with hydroxy ***,we calculate rate constants for the unimolecular reaction of E-glycolaldehyde oxide[E-hydroxyethanal oxide,E-(CH_(2)OH)CHOO],for its reactions with H_(2)O and(H_(2)O)_(2),and for the reaction of the E-(CH_(2)OH)CHOO…H_(2)O complex with H_(2)*** the highest level of electronic structure,we use W3X-L//CCsD(T)-F12a/cc-pVDZ-F12 for the unimolecular reaction and the reaction with water and W3X-L//DF-CCsD(T)-F12b/jun-cc-pVDZ for the reaction with 2 water *** the dynamics,we use a dual-level strategy that combines conventional transition state theory with the highest level of electronic structure and multistructural canonical variational transition state theory with small-curvature tunneling with a validated density functional for the electronic structure.

关键词： structure kinetics molecular

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Impact of initial fluctuations and nuclear deformations in isobar collisions

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Nuclear science and Techniques 2024年第6期35卷 155-162页

作者： Jian-Fei Wang Hao-Jie Xu Fu-Qiang Wang department of Modern Physics University of Science and Technology of ChinaHefei 230026China school of science Huzhou UniversityHuzhou 313000China strong-Coupling Physics International Research Laboratory(sPiRL) Huzhou UniversityHuzhou 313000China department of Physics and Astronomy Purdue UniversityWest LafayetteIN 47907USA

Relativistic isobar^(96)_(44)Ru+^(96)_(44)Ru and^(96)_(40)Zr+^(96)_(40)Zrcollisions have revealed intricate differences in their nuclear size and shape,inspiring unconventional studies of nuclear structure using relativistic heavy ion *** this study,we investigate the relative differences in the mean multiplicityR_()and the secondR_(ε2)and third-order eccentricityR_(ε3)between isobar collisions using initial state Glauber *** is found that initial fluctuations and nuclear deformations have negligible effects on R_()in most central collisions,while both are important for the R_(ε2)and R_(ε3),the degree of which is sensitive to the underlying nucleonic or sub-nucleonic degree of *** features,compared to real data,may probe the particle production mechanism and the physics underlying nuclear structure.

关键词： Relativistic isobar collisions Initial fluctuations Nuclear deformation

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Multiphase cooperation for multilevel strain accommodation in a single-crystalline BiFeO3 thin film

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Chinese Physics B 2024年第9期33卷 57-66页

作者： Wooseon Choi Bumsu Park Jaejin Hwang Gyeongtak Han sang-Hyeok Yang Hyeon Jun Lee sung su Lee Ji Young Jo Albina Y.Borisevich Hu Young Jeong sang Ho Oh Jaekwang Lee Young-Min Kim department of energy science Sungkyunkwan University(SKKU)Suwon 16419Republic of Korea samsung Electronics Hwaseong 18448Republic of Korea department of Physics Pusan National UniversityBusan 46241Republic of Korea LG energy solution Daejeon 34122Republic of Korea department of Materials science and Engineering Kangwon National UniversityRepublic of Korea school of Materials science and Engineering Gwangju Institute of Science and Technology(GIST)Gwangju 61005Republic of Korea Center for Nanophase Materials sciences Oak Ridge National LaboratoryTN 37831USA Graduate school of semiconductor Materials and Devices Engineering Ulsan National Institute of Science and Technology(UNIST)Ulsan 44919Republic of Korea department of energy Engineering KENTECH Institute for Energy Materials and DevicesKorea Institute of Energy Technology(KENTECH)Naju 58330Republic of Korea

The functionalities and diverse metastable phases of multiferroic BiFeO3(BFO)thin films depend on the misfit *** mixed phase-induced strain relaxation in multiphase BFO thin films is well known,it is unclear whether a singlecrystalline BFO thin film can accommodate misfit strain without the involvement of its ***,understanding the strain relaxation behavior is key to elucidating the lattice strain–property *** this study,a correlative strain analysis based on dark-field inline electron holography(DIH)and quantitative scanning transmission electron microscopy(sTEM)was performed to reveal the structural mechanism for strain accommodation of a single-crystalline BFO thin *** nanoscale DIH strain analysis results indicated a random combination of multiple strain states that acted as a primary strain relief,forming irregularly strained *** sTEM-based bond length measurement of the corresponding strained nanodomains revealed a unique strain accommodation behavior achieved by a statistical combination of multiple modes of distorted structures on the unit-cell *** globally integrated strain for each nanodomain was estimated to be close to􀀀1.5%,irrespective of the nanoscale strain states,which was consistent with the fully strained BFO film on the srTiO3 *** functional theory calculations suggested that strain accommodation by the combination of metastable phases was energetically favored compared to single-phase-mediated *** discovery allows a comprehensive understanding of strain accommodation behavior in ferroelectric oxide films,such as BFO,with various low-symmetry polymorphs.

关键词： BiFeO_(3) scanning transmission electron microscopy electron holography multiferroic material strain mapping

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spark plasma sintering of tungsten-based WTaVCr refractory high entropy alloys for nuclear fusion applications

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International Journal of Minerals,Metallurgy and Materials 2024年第1期31卷 146-154页

作者： Yongchul Yoo Xiang Zhang Fei Wang Xin Chen Xing-Zhong Li Michael Nastasi Bai Cui department of Mechanical&Materials Engineering University of Nebraska-LincolnLincolnNE 68588USA Nebraska Center for Materials and Nanoscience University of Nebraska-LincolnLincolnNE 68588USA department of Nuclear Engineering Texas A&M UniversityCollege StationTX 77843USA

W-based WTaVCr refractory high entropy alloys (RHEA) may be novel and promising candidate materials for plasma facing components in the first wall and diverter in fusion reactors. This alloy has been developed by a powder metallurgy process combining mechanical alloying and spark plasma sintering (sPs). The sPsed samples contained two phases, in which the matrix is RHEA with a body-centered cubic structure, while the oxide phase was most likely Ta2VO6through a combined analysis of X-ray diffraction (XRD),energy-dispersive spectroscopy (EDs), and selected area electron diffraction (sAED). The higher oxygen affinity of Ta and V may explain the preferential formation of their oxide phases based on thermodynamic calculations. Electron backscatter diffraction (EBsD) revealed an average grain size of 6.2μm. WTaVCr RHEA showed a peak compressive strength of 2997 MPa at room temperature and much higher micro-and nano-hardness than W and other W-based RHEAs in the literature. Their high Rockwell hardness can be retained to at least 1000°C.

关键词： refractory high entropy alloy plasma-facing material fusion reactor spark plasma sintering

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Bifurcation Analysis Reveals solution structures of Phase Field Models

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Communications on Applied Mathematics and Computation 2024年第1期6卷 64-89页

作者： Xinyue Evelyn Zhao Long-Qing Chen Wenrui Hao Yanxiang Zhao department of Mathematics Vanderbilt UniversityNashvilleTN37212USA department of Materials science and Engineering Pennsylvania State UniversityUniversity ParkPA16802USA department of Mathematics Pennsylvania State UniversityUniversity ParkPA16802USA department of Mathematics The George Washington UniversityWashingtonDC20052US

The phase field method is playing an increasingly important role in understanding and predicting morphological evolution in materials and biological ***,we develop a new analytical approach based on the bifurcation analysis to explore the mathematical solution structure of phase field *** such solution structures not only is of great mathematical interest but also may provide guidance to experimentally or computationally uncover new morphological evolution phenomena in materials undergoing electronic and structural phase *** elucidate the idea,we apply this analytical approach to three representative phase field equations:the Allen-Cahn equation,the Cahn-Hilliard equation,and the Allen-Cahn-Ohta-Kawasaki *** solution structures of these three phase field equations are also verified numerically by the homotopy continuation method.

关键词： Phase field modeling Bifurcations Multiple solutions

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Machine Learning Analysis of Impact of Western us Fires on Central us Hailstorms

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Advances in Atmospheric sciences 2024年第7期41卷 1450-1462页

作者： Xinming LIN Jiwen FAN Yuwei ZHANG ZJason HOu Pacific Northwest National Laboratory RichlandWA 99354USA Argonne National Laboratory LemontIL 60439USA

Fires,including wildfires,harm air quality and essential public services like transportation,communication,and *** fires can also influence atmospheric conditions,including temperature and aerosols,potentially affecting severe convective ***,we investigate the remote impacts of fires in the western united states(Wus)on the occurrence of large hail(size:≥2.54 cm)in the central us(Cus)over the 20-year period of 2001–20 using the machine learning(ML),Random Forest(RF),and Extreme Gradient Boosting(XGB)*** developed RF and XGB models demonstrate high accuracy(>90%)and F1 scores of up to 0.78 in predicting large hail occurrences when Wus fires and Cus hailstorms coincide,particularly in four states(Wyoming,south Dakota,Nebraska,and Kansas).The key contributing variables identified from both ML models include the meteorological variables in the fire region(temperature and moisture),the westerly wind over the plume transport path,and the fire features(i.e.,the maximum fire power and burned area).The results confirm a linkage between Wus fires and severe weather in the Cus,corroborating the findings of our previous modeling study conducted on case simulations with a detailed physics model.

关键词： wildfire severe convective storm hailstorm machine learning

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simultaneous control of ferromagnetism and ferroelasticity by oxygen octahedral backbone stretching

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Chinese Physics B 2024年第9期33卷 186-192页

作者： Genhao Liang Hui Cao Long Cheng Junkun Zha Mingrui Bao Fei Ye Hua Zhou Aidi Zhao Xiaofang Zhai department of Physics University of Science and Technology of ChinaHefei 230026China school of Physical science and Technology ShanghaiTech UniversityShanghai 201210China Materials science Division Argonne National LaboratoryLemontIL 60439USA X-ray science Division Advanced Photon SourceArgonne National LaboratoryLemontIL 60439USA

Coexistence of ferromagnetism and ferroelasticity in a single material is an intriguing phenomenon,but has been rarely *** we studied both the ferromagnetism and ferroelasticity in a group of LaCoO3 films with systematically tuned atomic *** found that all films exhibit ferroelastic domains with four-fold symmetry and the larger domain size(higher elasticity)is always accompanied by stronger *** performed synchrotron x-ray diffraction studies to investigate the backbone structure of the CoO6 octahedra,and found that both the ferromagnetism and the elasticity are simultaneously enhanced when the in-plane Co–O–Co bond angles are *** the study demonstrates the inextricable correlation between the ferromagnetism and ferroelasticity mediated through the octahedral backbone structure,which may open up new possibilities to develop multifunctional materials.

关键词： perovskite oxide film ferromagnetism ferroelasticity twin domain

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A data-driven reduced-order model for stiff chemical kinetics using dynamics-informed training

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energy and AI 2024年第1期15卷 181-192页

作者： Vijayamanikandan Vijayarangan Harshavardhana A.uranakara shivam Barwey Riccardo Malpica Galassi Mohammad Rafi Malik Mauro Valorani Venkat Raman Hong G.Im CCRC King Abdullah University of Science and TechnologyThuwalSaudi Arabia Argonne Leadership Computing Facility Argonne National LaboratoryLemontIL 60439USA Mechanical and Aerospace Engineering department Sapienza University of RomeVia Eudossiana18Rome 00184Italy department of Aerospace Engineering University of MichiganAnn ArborMI 48109USA

A data-based reduced-order model(ROM)is developed to accelerate the time integration of stiff chemically reacting systems by effectively removing the stiffness arising from a wide spectrum of chemical time ***,the objective of this work is to develop a ROM that acts as a non-stiff surrogate model for the time evolution of the thermochemical state vector(temperature and species mass fractions)during an otherwise highly stiff and nonlinear ignition *** model follows an encode-forecast-decode strategy that combines a nonlinear autoencoder(AE)for dimensionality reduction(encode and decode steps)with a neural ordinary differential equation(NODE)for modeling the dynamical system in the AE-provided latent space(forecasting step).By means of detailed timescale analysis by leveraging the dynamical system Jacobians,this work shows how data-based projection operators provided by autoencoders can inherently construct the latent spaces by removing unnecessary fast timescales,even more effectively than physics-based counterparts based on an eigenvalue analysis.A key finding is that the most significant degree of stiffness reduction is achieved through an end-to-end training strategy,where both AE and neural ODE parameters are optimized simultaneously,allowing the discovered latent space to be *** addition to end-to-end training,this work highlights the vital contribution of AE nonlinearity in the stiffness reduction *** the prediction of homogeneous ignition phenomena for H2-air and C2H4-air mixtures,the proposed ROM achieves several ordersof-magnitude increase in the integration time step size when compared to(a)a baseline CVODE solver for the full-chemical system,(b)statistical technique–principal component analysis(PCA),and(c)computational singular perturbation(CsP),a vetted physics-based stiffness-reducing modeling framework.

关键词： stiff system Chemical kinetics Reacting flows Autoencoders Neural ODE

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Assembly of highly efficient aqueous light-harvesting system from sequence-defined peptoids for cytosolic microRNA detection

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Nano Research 2024年第2期17卷 788-796页

作者： Yang song Xiaoli Cai Mingming Wang Dan Du Yuehe Lin Chun-Long Chen department of Mechanical and Materials Engineering Washington State UniversityPullmanWA 99164USA Division of Physical sciences Pacific Northwest National LaboratoryRichlandWA 99352USA department of Chemical Engineering University of WashingtonSeattleWA 98195USA

Precisely controlled spatial distributions of artificial light-harvesting systems in aqueous media are of significant importance for mimicking natural light-harvesting systems;however,they are often restrained by the solubility and the aggregation-caused quenching effect of the hydrophobic ***,we report one highly efficient artificial light-harvesting system based on peptoid nanotubes that mimic the hierarchical cylindrical structure of natural *** high crystallinity of these nanotubes enabled the organization of arrays of donor chromophores with precisely controlled spatial distributions,favoring an efficient Förster resonance energy transfer(FRET)process in aqueous *** FRET system exhibits an extremely high efficiency of 98.6%with a fluorescence quantum yield of 40%and an antenna effect of *** further demonstrated the use of this artificial light-harvesting system for quantifying miR-210 within cancer *** fluorescence intensity ratio of donor to acceptor is linearly related to the concentration of intercellular miR-210 in the range of 3.3–156 copies/*** high sensitivity in intracellular detection of miR-210 using this artificial light-harvesting system offers a great opportunity and pathways for biological imaging and detection,and for the further creation of microRNA(miRNA)toolbox for quantitative epigenetics and personalized medicine.

关键词： light-harvesting peptoid nanotube Förster resonance energy transfer intracellular RNA detection

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