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Cao, J., Wang, C., Gonzalez-Libreros, J., Tu, Y., Elfgren, L. & Sas, G. (2025). Investigation of the mechanical properties of C-S-H and α-Fe2O3/Fe3O4 interfaces: A reactive molecular dynamics study. Computational materials science, 248, Article ID 113586.
Open this publication in new window or tab >>Investigation of the mechanical properties of C-S-H and α-Fe2O3/Fe3O4 interfaces: A reactive molecular dynamics study
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2025 (English)In: Computational materials science, ISSN 0927-0256, E-ISSN 1879-0801, Vol. 248, article id 113586Article in journal (Refereed) Published
Abstract [en]

Corrosion of steel reinforcement in concrete is a significant cause of structural failure, particularly in environments exposed to chloride ions and mechanical stress. The passivation film on steel reinforcement, composed of hematite or magnetite, plays a crucial role in protecting the steel from further corrosion. However, the intrusion of harmful ions or mechanical stress can compromise the film’s integrity, transforming it into a loose structure and accelerating the corrosion process, leading to structural failure. This study investigates the mechanical behaviors at the interfaces between corrosion products (hematite and magnetite) and C-S-H using reactive molecular dynamics. C-S-H and interfacial models incorporating hematite and magnetite were developed, with stress–strain analysis refined by filtering raw data and using true strain rather than engineering strain to improve the precision of the stress–strain responses. The results indicate that the Magnetite-CSH interface is more prone to loosening under external forces compared to the Hematite-CSH interface, thereby reducing its corrosion resistance. Structural evolution analysis under uniaxial tension highlights the detrimental effects of passivation film degradation on interfacial mechanical properties. This study contributes to improving the precision of stress–strain responses in MD models and facilitates comparison of mechanical properties at the nanoscale with results from other scales. The findings provide valuable guidance for improving the durability and performance of construction materials in corrosive environments, helping to bridge the gap between molecular-level simulations and macroscopic experimental data.

Place, publisher, year, edition, pages
Elsevier, 2025
Keywords
Molecular dynamics, C-S-H, Hematite (α-Fe2O3), Magnetite (Fe3O4), Interface, Mechanical property
National Category
Other Materials Engineering Physical Chemistry
Research subject
Structural Engineering
Identifiers
urn:nbn:se:ltu:diva-111083 (URN)10.1016/j.commatsci.2024.113586 (DOI)2-s2.0-85211247025 (Scopus ID)
Funder
Swedish Research Council Formas, 2023-01443Luleå Railway Research Centre (JVTC)Swedish Transport Administration
Note

Validerad;2024;Nivå 2;2025-01-01 (signyg);

Funder: China Scholarship Council (202206090034);

Fulltext license: CC BY

Available from: 2024-12-20 Created: 2024-12-20 Last updated: 2024-12-20Bibliographically approved
Min, X., Zhang, J., Tu, Y., Li, X., Wang, C., Sas, G. & Elfgren, L. (2024). A full-range fatigue life prediction model for RC beams strengthened with prestressed CFRP plates accounting for the impact of FRP debonding. Engineering structures, 301, Article ID 117305.
Open this publication in new window or tab >>A full-range fatigue life prediction model for RC beams strengthened with prestressed CFRP plates accounting for the impact of FRP debonding
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2024 (English)In: Engineering structures, ISSN 0141-0296, E-ISSN 1873-7323, Vol. 301, article id 117305Article in journal (Refereed) Published
Place, publisher, year, edition, pages
Elsevier, 2024
National Category
Infrastructure Engineering
Research subject
Structural Engineering
Identifiers
urn:nbn:se:ltu:diva-103512 (URN)10.1016/j.engstruct.2023.117305 (DOI)001139402800001 ()2-s2.0-85179467577 (Scopus ID)
Note

Validerad;2024;Nivå 2;2024-01-19 (signyg);

Funder: Natural Science Foundation of Jiangsu Province of China (grant nos. BK20230703); the Scientific Research Foundation of Nanjing Institute of Technology (grant nos. YKJ202122); the Natural Science Foundation of the Jiangsu Higher Education Institutions of China (23KJB560010); National Key Research and Development Program of China (grant nos. 2017YFC0703006-01); Array (2017YFC0703006-01)

Available from: 2024-01-08 Created: 2024-01-08 Last updated: 2024-04-04Bibliographically approved
Wang, C., Zhang, J., Gonzalez-Libreros, J., Tu, Y., Elfgren, L. & Sas, G. (2024). A quantitative residual stiffness model for carbon fiber reinforced polymer tendons. Fatigue & Fracture of Engineering Materials & Structures, 47(6), 2068-2084
Open this publication in new window or tab >>A quantitative residual stiffness model for carbon fiber reinforced polymer tendons
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2024 (English)In: Fatigue & Fracture of Engineering Materials & Structures, ISSN 8756-758X, E-ISSN 1460-2695, Vol. 47, no 6, p. 2068-2084Article in journal (Refereed) Published
Abstract [en]

In this study, tension-tension fatigue tests were conducted to investigate the residual stiffness degradation of carbon fiber-reinforced polymer (CFRP) tendons. Different stress levels were used in the tests, and measurements of residual stiffness and the number of loading cycles were taken. Based on experimental data for CFRP tendons, a quantitative residual stiffness model was developed by modifying Yao's model. This model is applicable to various stress levels. To assess its accuracy and applicability, the predicted results of this model were compared with those of cited models from other researchers. The findings revealed a three-stage degradation of residual stiffness in CFRP tendons under different stress levels. Furthermore, it was observed that the proportion of fatigue life accounted for by Stage III decreased with smaller stress ranges, while the proportion accounted for by Stage II increased. The proposed quantitative residual stiffness model was verified using both experimental and cited data. Tension-tension fatigue tests of CFRP tendons were conducted at various stress levels. A quantitative model was proposed based on the residual stiffness of the CFRP tendon. Stress level influence on stiffness degradation of composite material was discussed. Model accuracy was verified against experimental and cited data.

Place, publisher, year, edition, pages
John Wiley & Sons, 2024
Keywords
carbon fiber reinforced polymer (CFRP) tendon, quantitative model, residual stiffness, three-stage degradation
National Category
Composite Science and Engineering
Research subject
Structural Engineering
Identifiers
urn:nbn:se:ltu:diva-105004 (URN)10.1111/ffe.14290 (DOI)001194229500001 ()2-s2.0-85189614627 (Scopus ID)
Funder
Swedish Research Council Formas, 2023-01443
Note

Validerad;2024;Nivå 2;2024-05-21 (joosat);

Funder: National Key Research and Development Program of China (2017YFC0703006-01);

Full text license: CC BY

Available from: 2024-04-08 Created: 2024-04-08 Last updated: 2024-05-21Bibliographically approved
Fang, M., Wang, T., Guo, T., Shi, P., Jiang, B., Wang, C., . . . Elfgren, L. (2024). Compressive reactive molecular dynamics on mechanical and structural behaviors of geopolymers: Imposing lateral constraints and varied temperatures. Applied Clay Science, 249, Article ID 107257.
Open this publication in new window or tab >>Compressive reactive molecular dynamics on mechanical and structural behaviors of geopolymers: Imposing lateral constraints and varied temperatures
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2024 (English)In: Applied Clay Science, ISSN 0169-1317, E-ISSN 1872-9053, Vol. 249, article id 107257Article in journal (Refereed) Published
Place, publisher, year, edition, pages
Elsevier Ltd, 2024
National Category
Other Materials Engineering
Research subject
Structural Engineering
Identifiers
urn:nbn:se:ltu:diva-103908 (URN)10.1016/j.clay.2024.107257 (DOI)001161999800001 ()2-s2.0-85182403837 (Scopus ID)
Note

Validerad;2024;Nivå 2;2024-02-16 (joosat);

Funder: National Natural Science Foundation of China (51378104, U23A20661); Jiangsu Province (BZ2021011); Fundamental Research Funds for the Central Universities (2242022k30030, 2242022k30031); National Science Fund for Distinguished Young Scholars (52125802);

Available from: 2024-01-24 Created: 2024-01-24 Last updated: 2024-03-07Bibliographically approved
Liu, D., Wang, C., Gonzalez-Libreros, J., Tu, Y., Elfgren, L., Sas, G., . . . Höjsten, T. (2024). FEM-based dynamic analysis of noise barriers under train-induced aerodynamic load. In: J S Jensen; D Frangopol; J W Schmidt (Ed.), Bridge Maintenance, Safety, Management and Sustainability: . Paper presented at 12th International Conference on Bridge Maintenance, Safety and Management (IABMAS 2024), Copenhagen, Denmark, June 24-28, 2024 (pp. 3817-3824). CRC Press
Open this publication in new window or tab >>FEM-based dynamic analysis of noise barriers under train-induced aerodynamic load
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2024 (English)In: Bridge Maintenance, Safety, Management and Sustainability / [ed] J S Jensen; D Frangopol; J W Schmidt, CRC Press, 2024, p. 3817-3824Conference paper, Published paper (Refereed)
Abstract [en]

Railway noise barriers should provide excellent sound insulation and sufficient load-bearing capacity. High-speed railway noise barriers experience significant and transient aerodynamic loads from passing trains, resulting in noticeable dynamic responses. In this study, three simplified load models were applied to a noise barrier to compare the dynamic responses to those obtained under a reference load from computational fluid dynamics (CFD) simulations, Results show that the natural frequency of target noise barriers exceeds 10 Hz, significantly surpassing the excitation frequency of the train-induced areodynamic load, thereby minimizing the likelhood of resonance. The displacement or stress evolution closely correlatesd with the variation of pressure over time. Along the longitudinal direction of the noise barrier, the stress range initially increases, stabilizes, and eventually decreases, reaching its maximum at the penultimate post. Compared to the two simplified rectangular load models, the triangular load model with a distribution load length of 12 m better represents the detailed time-varying aerodynamic load.

Place, publisher, year, edition, pages
CRC Press, 2024
Keywords
Noise barriers, Train-induced aerodynamic load, Dynamic analysis
National Category
Fluid Mechanics and Acoustics
Research subject
Structural Engineering
Identifiers
urn:nbn:se:ltu:diva-108354 (URN)10.1201/9781003483755-450 (DOI)2-s2.0-85200421298 (Scopus ID)
Conference
12th International Conference on Bridge Maintenance, Safety and Management (IABMAS 2024), Copenhagen, Denmark, June 24-28, 2024
Funder
Swedish Transport Administration, BBT-2019-022
Note

Full text license: CC BY-NC-ND;

ISBN for host publication: 978-1-032-77040-6, 978-1-032-77560-9, 978-1-003-48375-5 

Available from: 2024-07-18 Created: 2024-07-18 Last updated: 2024-08-13Bibliographically approved
Liu, D., Wang, C., Gonzalez-Libreros, J., Tu, Y., Elfgren, L. & Sas, G. (2024). Modified calculation model of train-induced aerodynamic pressure on vertical noise barriers considering the train geometry effect. Journal of Wind Engineering and Industrial Aerodynamics, 249, Article ID 105750.
Open this publication in new window or tab >>Modified calculation model of train-induced aerodynamic pressure on vertical noise barriers considering the train geometry effect
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2024 (English)In: Journal of Wind Engineering and Industrial Aerodynamics, ISSN 0167-6105, E-ISSN 1872-8197, Vol. 249, article id 105750Article in journal (Refereed) Published
Abstract [en]

High-speed trains (HSTs) generate air disturbance, leading to significant aerodynamic pressure on the noise barriers. Differences in train geometry result in variations in the aerodynamic pressure on noise barriers, implying that existing European standard calculation models may not necessarily be suitable for all types of HSTs. In this paper, the influence of the width, height, and nose length of the train on the aerodynamic pressure on vertical noise barriers was studied using computational fluid dynamics (CFD) simulations. Results showed that taller and wider trains result in greater aerodynamic loads on noise barriers. Conversely, an increase in the nose length of a train leads to a reduction in such pressure. Using grey relational analysis, correlation of various factors with the train-induced aerodynamic pressure is, from strong to weak: distance to the track center, width, height, and nose length of the train. Building upon the EN 14067-4 calculation model, the shape coefficients of trains with varying geometric characteristics were derived using the simulation data obtained in this study. A modified pressure calculation model was established accounting for the differences in geometric features of HSTs and pressure distribution in the vertical direction of noise barriers and validated using relevant data from the literature.

Place, publisher, year, edition, pages
Elsevier, 2024
Keywords
Aerodynamic pressure, Computational fluid dynamics simulation, Pressure calculation model, Train geometry, Vertical noise barrier
National Category
Fluid Mechanics and Acoustics
Research subject
Structural Engineering
Identifiers
urn:nbn:se:ltu:diva-101567 (URN)10.1016/j.jweia.2024.105750 (DOI)001289120300001 ()2-s2.0-85191294975 (Scopus ID)
Funder
Swedish Transport Administration, BBT-2019-022
Note

Validerad;2024;Nivå 2;2024-06-28 (joosat);

Full text: CC BY License

Available from: 2023-10-04 Created: 2023-10-04 Last updated: 2024-11-20Bibliographically approved
Tu, Y., Wang, T., Wen, R., Cao, J., Fang, M., Wang, C., . . . Elfgren, L. (2024). Molecular dynamics study on the adsorption of radioactive ions by geopolymers. Advances in Cement Research, 36(3), 129-141
Open this publication in new window or tab >>Molecular dynamics study on the adsorption of radioactive ions by geopolymers
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2024 (English)In: Advances in Cement Research, ISSN 0951-7197, E-ISSN 1751-7605, Vol. 36, no 3, p. 129-141Article in journal (Refereed) Published
Place, publisher, year, edition, pages
ICE Publishing, 2024
National Category
Other Chemical Engineering
Research subject
Structural Engineering
Identifiers
urn:nbn:se:ltu:diva-99416 (URN)10.1680/jadcr.22.00085 (DOI)001024535500001 ()2-s2.0-85164507020 (Scopus ID)
Note

Validerad;2024;Nivå 2;2024-04-05 (joosat);

Funder: National Natural Science Foundation of China (51378104); Jiangsu Province (BZ2021011); Fundamental Research Funds for the Central Universities (2242022k30030, 2242022k30031)

Available from: 2023-08-09 Created: 2023-08-09 Last updated: 2024-04-05Bibliographically approved
Tu, Y., Jiang, B., Guo, T., Fang, M., Wang, T., Shi, P., . . . Sas, G. (2024). Nanoscale insights into NASH under high-velocity fluids erosion: A molecular dynamics study. Journal of Building Engineering, 94, Article ID 109830.
Open this publication in new window or tab >>Nanoscale insights into NASH under high-velocity fluids erosion: A molecular dynamics study
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2024 (English)In: Journal of Building Engineering, E-ISSN 2352-7102, Vol. 94, article id 109830Article in journal (Refereed) Published
Abstract [en]

The poor durability of geopolymer is a major factor hindering its application, and erosion from high-velocity fluids exacerbates this drawback. This study aimed to characterize the microstructural features of geopolymer under high-velocity fluids erosion and investigate the influence of harmful ions on erosion damage. Models of geopolymer/water solution and geopolymer/NaCl solution were constructed to simulate the erosion of geopolymer by high-velocity fluids. The results indicated that under high-velocity fluids erosion, most of the atoms on the surface of the geopolymer experienced leaching, indicating destruction of the substrate. Additionally, water molecules in solution were able to form hydrogen bonds to the substrate surface, accelerating its degradation. Under NaCl solution erosion, Na ions interacted with the exposed bridging oxygen in the geopolymer, and ion exchange occurred between Na ions and the substrate, making the substrate more unstable and leaching more pronounced. The findings of this study provide nanoscale insights into the erosion resistance of geopolymer that could guide the development of new erosion-resistant materials and methods.

Place, publisher, year, edition, pages
Elsevier, 2024
Keywords
High-velocity fluids, Molecular dynamics, Sea water, Sodium aluminosilicate hydrate
National Category
Mechanical Engineering Physical Sciences Chemical Sciences
Research subject
Structural Engineering
Identifiers
urn:nbn:se:ltu:diva-108261 (URN)10.1016/j.jobe.2024.109830 (DOI)001262919500001 ()2-s2.0-85196732589 (Scopus ID)
Note

Validerad;2024;Nivå 2;2024-07-03 (hanlid);

Funder: National Natural Science Foundation of China (51378104); National Science Fund for Distinguished Young Scholars (52125802); Policy guidance plan of Jiangsu Province (BZ2021011); Fundamental Research Funds for the Central Universities (2242022k30030, 2242022k30031)

Available from: 2024-07-03 Created: 2024-07-03 Last updated: 2024-11-20Bibliographically approved
Jin, J., Liu, D. & Tu, Y. (2024). Numerical Simulation of Aerodynamic Pressure on Sound Barriers from High-Speed Trains with Different Nose Lengths. Applied Sciences, 14(7), Article ID 2898.
Open this publication in new window or tab >>Numerical Simulation of Aerodynamic Pressure on Sound Barriers from High-Speed Trains with Different Nose Lengths
2024 (English)In: Applied Sciences, E-ISSN 2076-3417, Vol. 14, no 7, article id 2898Article in journal (Refereed) Published
Abstract [en]

For high-speed railway sound barriers, determining the aerodynamic pressure generated by high-speed trains is crucial for their structural design. This paper investigates the distribution of aerodynamic pressure on the sound barrier caused by high-speed trains with different nose lengths, utilizing the computational fluid dynamics (CFD) simulation method. The accuracy of the numerical simulation method employed is verified through comparison with field test results from the literature. Research findings reveal that when a high-speed train passes through a sound barrier, significant “head wave” and “wake wave” effects occur, with the pressure peak of the “head wave” being notably greater than that of the “wake wave”. As the distance between the sound barrier and the center of the train gradually increases, the aerodynamic pressure on the sound barrier gradually decreases. The nose length of the train has a considerable impact on the aerodynamic pressure exerted on the sound barrier. The streamlined shape of longer-nose trains can significantly reduce the aerodynamic effects on the sound barrier, resulting in a notably smaller pressure peak compared to shorter-nose trains. Finally, by establishing the relationship between the train nose length and the aerodynamic pressure peak, a calculation formula for the train-induced aerodynamic pressure acting on the sound barrier is proposed, taking into account the nose length of the high-speed train.

Place, publisher, year, edition, pages
MDPI, 2024
Keywords
aerodynamic pressure, sound barrier, high-speed trains, fluid dynamics, numerical simulation, nose length of high-speed train
National Category
Fluid Mechanics and Acoustics Energy Engineering
Research subject
Structural Engineering
Identifiers
urn:nbn:se:ltu:diva-105172 (URN)10.3390/app14072898 (DOI)001200850500001 ()2-s2.0-85192518675 (Scopus ID)
Note

Validerad;2024;Nivå 2;2024-04-23 (signyg);

Funder: Natural Science Foundation of China (51378104); Jiangsu Province (BZ2021011); Fundamental Research Funds for the Central Universities (2242022k30030, 2242022k30031);

Full text license: CC BY 4.0

Available from: 2024-04-22 Created: 2024-04-22 Last updated: 2024-11-20Bibliographically approved
Liu, D., Wang, C., Gonzalez, J., Enoksson, O., Höjsten, T., Tu, Y., . . . Sas, G. (2024). Numerical simulation of train-induced aerodynamic pressure on railway noise barriers. In: Dynamics of railway infrastructures: . Paper presented at XII International Conference on Structural Dynamics, Delft, Netherlands, July 2-5, 2023.. Institute of Physics Publishing (IOPP), 10, Article ID 102002.
Open this publication in new window or tab >>Numerical simulation of train-induced aerodynamic pressure on railway noise barriers
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2024 (English)In: Dynamics of railway infrastructures, Institute of Physics Publishing (IOPP), 2024, Vol. 10, article id 102002Conference paper, Published paper (Refereed)
Abstract [en]

Noise barriers built parallel to the railway to reduce noise pollution, will be subjected to strong aerodynamic pressure from high-speed trains and have significant dynamic responses under such pressure. Based on computational fluid dynamics (CFD), a numerical simulation of train-induce aerodynamic pressure on noise barriers was performed. Time-varying pressure and its distribution along height direction of noise barriers were analysed, and the effect of different factors on results, i.e., the distance from noise barriers to track centre and the height of noise barrier, were discussed. Results show that the geometric changes in train nose and tail cause the obvious transient pressure pulse, and the pressure magnitude from nose is higher than that from tail. When the measuring height increases, the pressure gradually decreases, which can be well characterized by a height coefficient equation from Germany DB code. The pressure magnitude increases non-linearly when the distance to track centre decreases. Importantly, the height of noise barrier is also an important factor affecting pressure magnitude on noise barriers and when the height of noise barrier increases, the pressure magnitude gradually increases but tends to be stable at higher heights. An exponential equation can well characterize such effect of height of noise barrier on train-induced aerodynamic pressure.

Place, publisher, year, edition, pages
Institute of Physics Publishing (IOPP), 2024
Series
Journal of Physics: Conference Series (JPCS) ; 2647
Keywords
Railway noise barrier, CFD simulation, Aerodynamic pressure, High-speed train
National Category
Civil Engineering
Research subject
Structural Engineering
Identifiers
urn:nbn:se:ltu:diva-101565 (URN)10.1088/1742-6596/2647/10/102002 (DOI)2-s2.0-85197809488 (Scopus ID)
Conference
XII International Conference on Structural Dynamics, Delft, Netherlands, July 2-5, 2023.
Funder
Swedish Transport Administration, BBT-2019-022
Note

Full text license: CC BY 4.0;

Available from: 2023-10-04 Created: 2023-10-04 Last updated: 2024-08-28Bibliographically approved
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ORCID iD: ORCID iD iconorcid.org/0000-0002-8372-1967

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