Membre

@article{xu:hal-04129627,

title = {Investigating silica interface rate-dependent friction behavior under dry and lubricated conditions with molecular dynamics},

author = {Wang-Qi Xu and Zhen-Yu Yin and YuanYuan Zheng},

url = {https://hal.science/hal-04129627},

doi = {10.1007/s11440-022-01792-2},

year  = {2023},

date = {2023-01-01},

urldate = {2023-01-01},

journal = {Acta Geotechnica},

publisher = {Springer Verlag},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{wei:hal-04129737,

title = {Atomistic study on thermo-mechanical behavior and structural anisotropy of montmorillonite under triaxial tension and compression},

author = {Peng-Chang Wei and YuanYuan Zheng and Ali Zaoui and Zhen-Yu Yin},

url = {https://hal.science/hal-04129737},

doi = {10.1016/j.clay.2023.106817},

year  = {2023},

date = {2023-03-01},

urldate = {2023-03-01},

journal = {Applied Clay Science},

volume = {233},

pages = {106817},

publisher = {Elsevier},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{ZHANG2023130107,

title = {Interlayer adsorption of cationic dye on cationic surfactant-modified and unmodified montmorillonite},

author = {Li-Lan Zhang and Ali Zaoui and Wassila Sekkal and YuanYuan Zheng},

url = {https://www.sciencedirect.com/science/article/pii/S030438942201901X},

doi = {https://doi.org/10.1016/j.jhazmat.2022.130107},

issn = {0304-3894},

year  = {2023},

date = {2023-01-01},

urldate = {2023-01-01},

journal = {Journal of Hazardous Materials},

volume = {442},

pages = {130107},

abstract = {Water pollution by toxic organic dyes is one of the most critical health and environmental problems worldwide. By means of molecular dynamics method, the present work aims to evaluate the applicability of montmorillonite (Mt) modified by hexadecyltrimethylammonium cations (HDTMA+) compared to unmodified Na-Mt for the adsorption of cationic methylene blue (MB) dye. The results showed that the adsorption energy of MB on both HDTMA-Mt and Na-Mt absorbent ranged from − 100 to − 250 kJ/mol, indicating the effectiveness of two types of adsorbents in dye water treatment. The highest adsorption energy was found at w = 50% in each adsorbent system. Adsorption mechanisms of MB depend on molecular orientations, which is influenced by the surfactant and water content. The adsorption mechanism of MB is chemisorption dominated by strong electrostatic interaction between CH3 groups of MB and oxygen atoms of Mt surfaces. Besides, physisorption also plays a minor role in MB orientations. It is found that the existence of cationic surfactants can slightly improve the adsorption capacity of MB only at higher water content through enlarging the interlayer space of Mt and reducing mobility of MB. However, there will be a negative impact on the reduction of adsorption sites for dyes especially at low water content. Our results provide a possible application for swelling clay minerals being a promising adsorbent for dyes-surfactants co-existing wastewater treatment.},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{xu:hal-04528971,

title = {FRP–soil interfacial mechanical properties with molecular dynamics simulations: Insights into friction and creep behavior},

author = {Wang-qi Xu and Zhen-yu Yin and Yuanyuan Zheng},

url = {https://hal.science/hal-04528971},

doi = {10.1002/nag.3607},

year  = {2023},

date = {2023-08-01},

urldate = {2023-08-01},

journal = {International Journal for Numerical and Analytical Methods in Geomechanics},

volume = {47},

number = {16},

pages = {2951-2967},

publisher = {Wiley},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{wei:hal-04297601,

title = {Nanoscale friction at the quartz-quartz/kaolinite interface},

author = {Peng-chang Wei and Yong Xiong and Yuanyuan Zheng and Ali Zaoui and Zhen-Yu Yin and Weiwei Niu},

url = {https://hal.science/hal-04297601},

doi = {10.1016/j.colsurfa.2023.132296},

year  = {2023},

date = {2023-11-01},

urldate = {2023-11-01},

journal = {Colloids and Surfaces A: Physicochemical and Engineering Aspects},

volume = {676},

pages = {132296},

publisher = {Elsevier},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{wei:hal-04129737b,

title = {Atomistic study on thermo-mechanical behavior and structural anisotropy of montmorillonite under triaxial tension and compression},

author = {Peng-Chang Wei and Yuanyuan Zheng and Ali Zaoui and Zhen-Yu Yin},

url = {https://hal.science/hal-04129737},

doi = {10.1016/j.clay.2023.106817},

year  = {2023},

date = {2023-03-01},

urldate = {2023-03-01},

journal = {Applied Clay Science},

volume = {233},

pages = {106817},

publisher = {Elsevier},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{WEI2022106622,

title = {Effect of water content and structural anisotropy on tensile mechanical properties of montmorillonite using molecular dynamics},

author = {Pengchang Wei and YuanYuan Zheng and Yong Xiong and Shengbiao Zhou and Kamal Al-Zaoari and Ali Zaoui},

url = {https://www.sciencedirect.com/science/article/pii/S0169131722002174},

doi = {https://doi.org/10.1016/j.clay.2022.106622},

issn = {0169-1317},

year  = {2022},

date = {2022-01-01},

urldate = {2022-01-01},

journal = {Applied Clay Science},

volume = {228},

pages = {106622},

abstract = {The mechanical behavior of montmorillonite is sensitive to water content and structural anisotropy. In this study, the evolution of atomic structure and mechanical behavior of different hydrated montmorillonite under tension has been investigated using Molecular Dynamics simulations. External deformation has been applied to montmorillonite with a strain rate of 5 × 10−7 fs−1 for uniaxial tensile test, stretched along directions parallel (x- and y-direction) and perpendicular (z-direction) to the clay sheets. The bond-breakage criterion based on the radial distribution function of atom pairs and the evolution of broken bonds with tensile strain, were applied to explore the deformation and failure mechanism of the montmorillonite-water system. Simulation results indicated that the water content increased, causing a decrease in the ultimate tensile strength and Young's modulus, as well as more and more plasticity for montmorillonite, especially in z-direction. Moreover, the sequence of tensile mechanical strength was y > x > z. Stretching along the x- and y-direction, fractures occurred in the silicon‑oxygen tetrahedral and aluminum‑oxygen octahedral sheets, where the aluminum‑oxygen bond was easier to be broken, and the normalized number of total broken bonds in the y-direction was superior to the x-direction. Stretching along the z-direction, only the hydrogen bonds in the interlaminar space were broken. In terms of three directions, the anisotropy behavior was found in ultimate tensile strength, Young's modulus, residual tensile strength, and the evolution of broken bonds.},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{WEI2022118945,

title = {Temperature and pressure effect on tensile behavior of ice-Ih under low strain rate: A molecular dynamics study},

author = {Pengchang Wei and Daoyang Zhuang and YuanYuan Zheng and Ali Zaoui and Wei Ma},

url = {https://www.sciencedirect.com/science/article/pii/S0167732222004834},

doi = {https://doi.org/10.1016/j.molliq.2022.118945},

issn = {0167-7322},

year  = {2022},

date = {2022-01-01},

urldate = {2022-01-01},

journal = {Journal of Molecular Liquids},

volume = {355},

pages = {118945},

abstract = {The mechanical behavior of ice is complex, especially with the effect of temperature and pressure, which may significantly affect the safety in various engineering, where slow deformation of ice may bring more hidden, sudden, and severe damage. The mechanical behavior of ice-Ih under a low strain rate with the effect of temperature and confining pressure is still unclear, especially at the nanoscale. In this work, the tensile behavior of ice-Ih is investigated using Molecular Dynamics simulation method. The tensile test of ice-Ih was all performed along the y-direction ([010] crystal orientation) with a constant strain rate of 1 × 108 s−1. The effect of temperature (73 to 270 K with 1 atm), as well as the confining pressure (1 atm to 200 MPa, combined with 100 K, 150 K, 200 K, and 250 K) on the tensile behavior of ice-Ih, was studied, respectively. The tensile stress–strain response under different temperatures was obtained, and the linear relationship of temperature and Young’s modulus was consistent with other previous studies. The tensile strength of ice-Ih decreased linearly with increasing temperature under low strain rate, which is quite different from the cases under high strain rate. The solid-solid phase transition was observed at 73 ∼ 140 K, and the solid-liquid phase transition at 150 ∼ 270 K, where more energy is required in completely solid-liquid phase transition at 250 ∼ 270 K than solid-solid phase transition at 73 ∼ 140 K. The evolution of total potential energy increment and structural failure with strain significantly depended on the phase transition of ice-Ih. Moreover, the ice-Ih is earlier and more likely to be melted at higher confining pressure.},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{ZHANG2021105961,

title = {Nanoscale mechanical behavior of kaolinite under uniaxial strain conditions},

author = {Li-Lan Zhang and YuanYuan Zheng and PengChang Wei and Qiu-Feng Diao and Zhen-Yu Yin},

url = {https://www.sciencedirect.com/science/article/pii/S0169131720305263},

doi = {https://doi.org/10.1016/j.clay.2020.105961},

issn = {0169-1317},

year  = {2021},

date = {2021-01-01},

urldate = {2021-01-01},

journal = {Applied Clay Science},

volume = {201},

pages = {105961},

abstract = {Nanoscale mechanical behavior of kaolinite as a fundamental failure mechanism has been investigated under uniaxial tension and compression using Molecular Dynamics (MD) simulation methods. External deformation has been applied on kaolinite with a strain rate of 5 × 10−7fs−1 for tensile and compressive tests in the directions parallel (x-, y-direction)/perpendicular (z-direction) to clay mineral layers. Results showed that better mechanical performance was presented in the directions parallel to clay mineral layers than the other direction due to its continuous lattice in this plane. However, the elastic modulus of kaolinite in the z-direction was almost half of that in the other directions, which nearly equals the overall elastic modulus of kaolinite with a value of about 72.6 GPa. Compression in the x- and y-directions resulted in the separation of clay mineral layers then bending toward the octahedral sheet till crack. Compression in the z-direction resulted in slippage of clay mineral layers at the first fracture then resistance till the second fracture at the strain of about 0.2. Tension would cause cracks in the direction perpendicular to the strain direction, which may be a cleavage fracture or cracks in clay mineral sheets. Different failure modes under tension and compression were originated from the layered structure of kaolinite.},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{WEI2021106155,

title = {Nanoscale friction characteristics of hydrated montmorillonites using molecular dynamics},

author = {PengChang Wei and Li-Lan Zhang and YuanYuan Zheng and Qiu-Feng Diao and Dao-Yang Zhuang and Zhen-Yu Yin},

url = {https://www.sciencedirect.com/science/article/pii/S0169131721001794},

doi = {https://doi.org/10.1016/j.clay.2021.106155},

issn = {0169-1317},

year  = {2021},

date = {2021-01-01},

urldate = {2021-01-01},

journal = {Applied Clay Science},

volume = {210},

pages = {106155},

abstract = {The interparticle friction behavior of saturated clay controls its mechanical properties, but remains unclear at nanoscale. As one of major clay minerals, the hydrated montmorillonite (MMT) is selected to investigate the nanoscale friction characteristics using Molecular Dynamics simulation method. Two portions of MMT representing two particles with a water film in the middle are created to simulate an undrained system. A virtual spring is applied on the upper MMT portion to provide the sliding with a constant velocity relative to the bottom portion. The effects of normal load and sliding velocity on the frictional behavior are then investigated. The friction coefficients of hydrated MMT at different cases were measured and compared with other experimental and simulation results for the validation. The evolution of normal load with the number of hydrogen bonds for hydrated MMT was finally analyzed. All simulation results indicated that the friction load fluctuated periodically with a cycle of about 9.10 Å at sliding velocity inferior 0.001 Å•fs−1, which was nearly equal to montmorillonite's lattice constant along the sliding direction; the fluctuation amplitude of the friction load increased with the decreasing sliding velocity; the relationship between the average friction load and the logarithm of sliding velocity followed a power function; the friction coefficient and the cohesion were found to increase approximately linearly with sliding velocity.},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{YIN2020107577,

title = {Modelling of suction bucket foundation in clay: From finite element analyses to macro-elements},

author = {Zhen-Yu Yin and Jing-Cheng Teng and Zheng Li and YuanYuan Zheng},

url = {https://www.sciencedirect.com/science/article/pii/S0029801820305850},

doi = {https://doi.org/10.1016/j.oceaneng.2020.107577},

issn = {0029-8018},

year  = {2020},

date = {2020-01-01},

urldate = {2020-01-01},

journal = {Ocean Engineering},

volume = {210},

pages = {107577},

abstract = {This study aims at modelling the suction bucket foundation in clay from full finite element analyses to simplified macro-element. To ensure the reliability of finite element simulation results as much as possible, two well-known constitutive models, the Modified Cam-Clay model (MCC) and the Hardening Soil model (HS), are adopted respectively for the foundation soil which is normally consolidated clay with parameters directly determined from laboratory tests instead of inverse analysis or fitting using simple models in previous studies. The finite element analyses using both models are validated by comparing centrifugal tests and further extended to study the failure patterns in V–H–M (Vertical force–Horizontal force–Moment) space through radial displacement tests. Based on all results, two new alternative analytical formulations based on both models are then proposed to describe the three-dimensional (3D) failure envelope in V–H–M space. Finally, two new alternative macro-element design models of suction bucket foundation in clay under the same framework of hypoplasticity for both monotonic and cyclic loading conditions are proposed. By comparing with experimental results, the effectiveness and efficiency of both macro-element models are verified applicable and the one based on HS has slightly better performance than the one of MCC.},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{zhang:hal-04529031,

title = {A LSTM surrogate modelling approach for caisson foundations},

author = {Pin Zhang and Zhen-Yu Yin and Yuanyuan Zheng and Fu-Ping Gao},

url = {https://hal.science/hal-04529031},

doi = {10.1016/j.oceaneng.2020.107263},

year  = {2020},

date = {2020-05-01},

urldate = {2020-05-01},

journal = {Ocean Engineering},

volume = {204},

pages = {107263},

publisher = {Elsevier},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{zhengmechanical,

title = {Mechanical behavior in hydrated Na-montmorillonite clay},

author = {Yuanyuan Zheng and Ali Zaoui},

year  = {2018},

date = {2018-01-01},

urldate = {2018-01-01},

journal = {PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS},

volume = {505},

pages = {582--590},

publisher = {Wiely},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{Zheng2017,

title = {Wetting and nanodroplet contact angle of the clay 2:1 surface: The case of Na-montmorillonite (001)},

author = {Yuanyuan Zheng and Ali Zaoui},

year  = {2017},

date = {2017-01-01},

journal = {Applied Surface Science},

number = {396},

pages = {717�722},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{ZHEN2014A,

title = {Interactions between clay portions with various contacts and subjected to specific environmental conditions APPLIED SURFACE SCIENCE 292, 311-318 (2014).},

author = {Yuanyuan Zheng and Ali Zaoui and A Pasteau},

url = {http://www.sciencedirect.com/science/article/pii/S0169433213022162},

doi = {10.1016/j.apsusc.2013.11.138},

year  = {2014},

date = {2014-01-01},

journal = {APPLIED SURFACE SCIENCE},

volume = {292},

pages = {311-318},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{L13029,

title = {Ŧemperature effects on the diffusion of water and monovalent counterions in the hydrated montmorillonite, Physica A/ Statistical Mechanics and its applications 392, 5994-6001},

author = {Yuanyuan Zheng and Ali Zaoui},

year  = {2013},

date = {2013-01-01},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{Zheng2011a,

title = {Ħow water and counterions diffuse into the hydrated montmorillonite,Solid State Ionics 203, 80-85 (2011).},

author = {Yuanyuan Zheng and Ali Zaoui},

year  = {2011},

date = {2011-01-01},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{Zheng2011b,

title = {A theoretical study of swelling and shrinking of hydrated Wyomingmontmorillonite APPLIED CLAY SCIENCE Volume: 51 Issue: 1-2 Pages:177-181 DOI: 10.1016/j.clay.2010.10.027},

author = {Yuanyuan Zheng and Ali Zaoui and Isam Shahrour},

year  = {2011},

date = {2011-01-01},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{ZHENG2010,

title = {Ħow Water and Counterions diffuse into the Ħydrated Montmorillonite;American Mineralogist, volume 95, pages 1493-1499, 2010.},

author = {Yuanyuan Zheng and Ali Zaoui and Isam Shahrour},

year  = {2010},

date = {2010-01-01},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}

@article{Zheng2010a,

title = {Evolution of the interlayer space of hydrated montmorillonite asa function of temperature, AMERICAN MINERALOGIST Volume: 95 Issue:10 Pages: 1493-1499 DOI: 10.2138/am.2010.3541 Published: OCT 2010.},

author = {Yuanyuan Zheng and Ali Zaoui and Isam Shahrour},

year  = {2010},

date = {2010-01-01},

note = {ACL},

keywords = {ER1},

pubstate = {published},

tppubtype = {article}

}