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Search Results (207)

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Keywords = stiffness moduli

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18 pages, 2377 KB  
Article
Photo Crosslinkable Hybrid Hydrogels for High Fidelity Direct Write 3D Printing: Rheology, Curing Kinetics, and Bio-Scaffold Fabrication
by Riley Rohauer, Kory Schimmelpfennig, Perrin Woods, Rokeya Sarah, Ahasan Habib and Christopher L. Lewis
J. Funct. Biomater. 2026, 17(1), 30; https://doi.org/10.3390/jfb17010030 - 4 Jan 2026
Viewed by 428
Abstract
This work characterizes hybrid hydrogels prepared via the combination of natural and synthetic polymers. By incorporating a biocompatible compound, poly(ethylene glycol) diacrylate (PEGDA, Mn = 400), into alginate and carboxymethyl cellulose (CMC)-based hydrogels, the in situ UV crosslinking of these materials was [...] Read more.
This work characterizes hybrid hydrogels prepared via the combination of natural and synthetic polymers. By incorporating a biocompatible compound, poly(ethylene glycol) diacrylate (PEGDA, Mn = 400), into alginate and carboxymethyl cellulose (CMC)-based hydrogels, the in situ UV crosslinking of these materials was assessed. A custom direct-write (DW) 3D bioprinter was utilized to prepare hybrid hydrogel constructs and scaffolds. A control sample, which consisted of 4% w/v alginate and 4% w/v CMC, was prepared and evaluated in addition to three PEGDA (4.5, 6.5, and 10% w/v)-containing hybrid hydrogels. Rotational rheology was utilized to evaluate the thixotropic behavior of these materials. Filament fusion tests were employed to generate bilayer constructs of various pore sizes, providing metrics for the printability and diffusion rate of hydrogels post-extrusion. Printability indicates the shape fidelity of pore geometry, whereas diffusion rate represents material spreading after deposition. Curing kinetics of PEGDA-containing hydrogels were evaluated using photo-Differential Scanning Calorimetry (DSC) and photorheology. The Kamal model was fitted to photo-DSC results, enabling an assessment and comparison of the curing kinetics for PEGDA-containing hydrogels. Photorheological results highlight the increase in hydrogel stiffness concomitant with PEGDA content. The range of obtained complex moduli (G*) provides utility for the development of brain, kidney, and heart tissue (620–4600 Pa). The in situ UV irradiation of PEGDA-containing hydrogels improved the shape fidelity of printed bilayers and decreased filament diffusion rates. In situ UV irradiation enabled 10-layer scaffolds with 1 × 1 mm pore sizes to be printed. Ultimately, this study highlights the utility of PEGDA-containing hybrid hydrogels for high-resolution DW 3D bioprinting and potential application toward customizable tissue analogs. Full article
(This article belongs to the Special Issue 3D Bioprinting for Tissue Engineering and Regenerative Medicine)
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20 pages, 11214 KB  
Article
Microstructure, Mechanical, and Machining Properties of 2024 Al Composites Reinforced with TiB2, SiC, and Diamond Particles
by Chuan Tan, Shuang Xiong, Qianwen Bi, Hui Wang, Bin Li, Limin Jiang, Jianhong Yi and Xiaoqing Zuo
Metals 2026, 16(1), 18; https://doi.org/10.3390/met16010018 - 24 Dec 2025
Viewed by 313
Abstract
Particle-reinforced aluminum matrix composites demonstrate remarkable potential for use in aerospace, precision instruments, and electronic packaging applications due to their superior specific strength, high specific stiffness, and low thermal expansion coefficient. However, increasing the reinforcement volume fraction to enhance the elastic modulus often [...] Read more.
Particle-reinforced aluminum matrix composites demonstrate remarkable potential for use in aerospace, precision instruments, and electronic packaging applications due to their superior specific strength, high specific stiffness, and low thermal expansion coefficient. However, increasing the reinforcement volume fraction to enhance the elastic modulus often leads to a reduction in plasticity and machining performance. This study investigates hot-pressed 27 vol.% TiB2/2024, 15 vol.% diamond/2024, and 37 vol.% SiC/2024 composite with equivalent elastic moduli, focusing on the effects of TiB2 particle size and T6 heat treatment on their microstructure, mechanical properties, and machining performance. The results reveal that increasing the TiB2 particle size from 7 μm to 25 μm reduces the tensile strength from 397.1 MPa to 371.7 MPa, increases surface roughness values from 110 nm to 177 nm, but simultaneously decreases tool wear. Among the tested composites, the 27 vol.% TiB2/2024 composite exhibits optimal interfacial bonding without Al4C3 formation, providing the most effective load-bearing strengthening, as well as the lowest surface roughness and minimal tool wear. Moreover, the T6 heat treatment further enhanced the tensile strength of the 27 vol.% TiB2/2024 composite from 397.1 MPa to 421.7 MPa, while reducing the surface roughness values during turning from 110 nm to 79 nm and further minimizing tool wear, thus achieving outstanding overall mechanical and machining performance. Full article
(This article belongs to the Special Issue Design and Development of Metal Matrix Composites (2nd Edition))
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30 pages, 7355 KB  
Article
Estimation of the XGBoost Regression Model Used in the Prediction of Pavement’s Mechanical and Geometrical Parameters Based on Static Interpretation of the FWD Test
by Marcin Daniel Gajewski, Pengyuan Xia, Beata Gajewska, Jorge Pais and Mikołaj Miecznikowski
Appl. Sci. 2025, 15(24), 12943; https://doi.org/10.3390/app152412943 - 8 Dec 2025
Viewed by 382
Abstract
The FWD is commonly used to conduct a non-destructive evaluation of the capacity of the pavement. The layered pavement is loaded locally by falling weight, and deflection is recorded at many points. Based on these results, if the pavement geometry is known, the [...] Read more.
The FWD is commonly used to conduct a non-destructive evaluation of the capacity of the pavement. The layered pavement is loaded locally by falling weight, and deflection is recorded at many points. Based on these results, if the pavement geometry is known, the mechanical properties of the pavement may be determined using the back-calculation approach. Analytical, numerical, or ML methods can be used for back-calculation. An analytical solution for a multi-layered structure leads to non-linear relationships for the thickness or stiffness of each layer, but provides an accurate solution. The other methods, like numerical or ML methods, are just approximation methods with different levels of accuracy. In this paper, the accuracy of the XGBoost ML regression model in predicting mechanical and geometrical pavement parameters was estimated. The database was generated from a static analytical solution of an axially symmetrical problem implemented in the form of JPav software and then explored by training regression models to predict the moduli and thickness of pavement layers. Two other databases were created using PCA (Principal Component Analysis) and FDM-like (Feature Difference Method) to compare models trained with the complete deflection database. The results showed that models trained with the complete deflection database had the best average prediction performance compared to the other two. In contrast, models trained with the database pre-processed by PCA showed a similar predicting performance to that of the previous models, but with a slight loss in precision. Models trained with the database pre-processed by the FDM-like approach exhibited excellent prediction on some features but performed worse on the rest. The primary objective of this work is to develop a model that enables the determination of pavement layer thickness and moduli from the deflections obtained in FWD tests. The analysis carried out allowed us to conclude that it is possible to obtain some pavement variables from the deflections, while others require a more sophisticated approach. Full article
(This article belongs to the Special Issue Advances in Structural Health Monitoring in Civil Engineering)
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19 pages, 3954 KB  
Article
Improvement of Structural, Elastic, and Magnetic Properties of Vanadium-Doped Lithium Ferrite
by W. R. Agami, H. M. Elsayed and A. M. Faramawy
Compounds 2025, 5(4), 54; https://doi.org/10.3390/compounds5040054 - 1 Dec 2025
Viewed by 307
Abstract
The influence of vanadium substitution on the structure, elastic, mechanical, and magnetic behavior of lithium ferrite (Li0.5+xVxFe2.5−2xO4; x = 0.00–0.2) was systematically studied. X-ray diffraction (XRD) was used to investigate the crystal structure, and infrared [...] Read more.
The influence of vanadium substitution on the structure, elastic, mechanical, and magnetic behavior of lithium ferrite (Li0.5+xVxFe2.5−2xO4; x = 0.00–0.2) was systematically studied. X-ray diffraction (XRD) was used to investigate the crystal structure, and infrared spectroscopy (IR) was used to determine the cation distribution between the two ferrite sublattices, in addition to the elastic and mechanical behavior of Li0.5+xVxFe2.5−2xO4 ferrites. X-ray analysis revealed a monotonic decrease in lattice parameter from 8.344 Å to 8.320 Å with increasing V5+ content, confirming lattice contraction and stronger metal–oxygen bonding. Despite a moderate increase in porosity (from 6.9% to 8.9%), the elastic constants C11 and C12 increased, indicating improved stiffness and reduced compressibility. The derived Young’s, bulk, and rigidity moduli rose with the doping of V5+. Correspondingly, the longitudinal, shear, and mean velocities (Vl, Vs, and Vm) increased. The Debye temperature also showed a linear rise from 705 K to 723 K with V5+ doping, directly reflecting enhanced lattice stiffness and phonon frequency. Furthermore, both the saturation magnetization (MS) and the initial permeability (μi) increased up to V5+ concentration x = 0.1 and then decreased. Curie temperature (TC) decreased with increasing V5+ concentration, while both the saturation magnetization (MS) and the initial permeability (μi) increased up to V5+ concentration x = 0.1 and then decreased, while the coercivity (HC) showed the reverse trend. These results confirm that V5+ incorporation significantly enhances the Li ferrite, improving its elastic strength, lattice energy, thermal stability, and magnetically controlling properties and making them suitable for a variety of daily uses such as magneto-elastic sensors, high-frequency devices, and applications requiring mechanically robust ferrite materials. Full article
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19 pages, 2107 KB  
Article
Analytical Study of Microstructural Effects on the Degradation of Elastic Properties in Cement Paste
by Jing Xue and Jianfu Shao
Sci 2025, 7(4), 173; https://doi.org/10.3390/sci7040173 - 1 Dec 2025
Viewed by 432
Abstract
This study presents an analytical and multiscale investigation of the degradation of elastic properties in ordinary Portland cement (OPC) paste subjected to calcium leaching. Eight representative microstructures and three homogenization schemes (Mori–Tanaka, Hashin–Shtrikman, and Voigt) were evaluated to determine the most suitable configuration [...] Read more.
This study presents an analytical and multiscale investigation of the degradation of elastic properties in ordinary Portland cement (OPC) paste subjected to calcium leaching. Eight representative microstructures and three homogenization schemes (Mori–Tanaka, Hashin–Shtrikman, and Voigt) were evaluated to determine the most suitable configuration for predicting stiffness evolution. Model validation against benchmark experimental data at 14 and 56 days demonstrated good agreement, with prediction errors within 10%. Simulation results reveal that progressive decalcification leads to significant reductions in both bulk and shear moduli, with the calcium hydroxide (CH) phase being the most sensitive, followed by low-density (LD) and high-density (HD) calcium silicate hydrate (CSH). The overall stiffness loss increases with the water-to-cement ratio (w/c), exceeding 90% at w/c=0.5 under complete decalcification. A sensitivity analysis further shows that the rate of modulus degradation decreases with increasing w/c, reflecting a mechanical normalization effect rather than improved chemical stability. These findings highlight the dominant role of calcium preservation in maintaining mechanical integrity and provide a robust theoretical framework for predicting the chemo-mechanical degradation and long-term durability of cement-based materials in aggressive environments. Full article
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27 pages, 13809 KB  
Article
Full Orthotropic Mechanical Characterization of Pinus radiata Plywood Through Tensile, Compression and Shear Testing with Miniaturized Specimens
by Moisés Sandoval, Masoud Javadi, Paula Soto-Zúñiga, Juan Pablo Cárdenas-Ramírez, Michael Arnett, Angelo Oñate, Rodrigo Cancino, Erick I. Saavedra Flores and Víctor Tuninetti
Forests 2025, 16(11), 1676; https://doi.org/10.3390/f16111676 - 3 Nov 2025
Viewed by 647
Abstract
This study introduces and validates a miniaturized testing methodology for the complete orthotropic characterization of structural plywood, including out-of-plane directions that are typically difficult to access. Novel small-scale geometries were developed for tension and shear configurations, with compliance corrections applied to ensure accurate [...] Read more.
This study introduces and validates a miniaturized testing methodology for the complete orthotropic characterization of structural plywood, including out-of-plane directions that are typically difficult to access. Novel small-scale geometries were developed for tension and shear configurations, with compliance corrections applied to ensure accurate stress–strain responses. The method proved reliable and sensitive to mechanical differences arising from veneer architecture, adhesive type, and interfacial bonding. Two sets of 18 mm structural plywood panels—manufactured with distinct adhesive systems, one bio-based (F1) and one phenol-formaldehyde (F2)—were systematically tested under tensile, compressive, and shear loading in ten orthogonal configurations (Tx, Ty, Tz, Cx, Cy, Cz, τxy, τyx, τxz, τyz), following standards NCh 3617, EN 789, and ASTM B831. Tensile moduli were approximately twice the corresponding compressive values, while out-of-plane moduli reached only 6–11% of in-plane values. F1 exhibited higher stiffness in both tension and compression, particularly in transverse directions, due to thicker perpendicular veneers enhancing bending restraint and shear coupling. In contrast, F2 achieved greater peak shear strength owing to its more uniform veneer structure, which improved stress distribution and delayed interlaminar failure. Observed asymmetry between tension and compression reflected microstructural mechanisms such as fiber alignment and cell-wall buckling. The miniature-specimen data provide reliable input for constitutive calibration and finite-element modeling, while revealing clear links between veneer-thickness distribution, shear-transfer efficiency, and macroscopic performance. The proposed framework enables efficient, reproducible orthotropic characterization for optimized, lightweight, and carbon-efficient timber systems. Full article
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17 pages, 10249 KB  
Article
Mater-Bi-Based Biocomposites Reinforced with Lemongrass: A Comparison Between Leaf- and Culm-Derived Particles
by Manuela Ceraulo, Luigi Botta, Carmelo Sanfilippo, Sanjay Mavinkere Rangappa, Suchart Siengchin and Vincenzo Fiore
Polymers 2025, 17(21), 2909; https://doi.org/10.3390/polym17212909 - 30 Oct 2025
Viewed by 571
Abstract
In this study, aiming to develop novel biocomposites that offer competitive properties while retaining their renewable and biodegradable characteristics, a biodegradable polymer matrix (Mater-Bi® HF51L2) was reinforced with natural particles extracted from the culm and leaf of Cymbopogon flexuosus (lemongrass). Particles (<500 [...] Read more.
In this study, aiming to develop novel biocomposites that offer competitive properties while retaining their renewable and biodegradable characteristics, a biodegradable polymer matrix (Mater-Bi® HF51L2) was reinforced with natural particles extracted from the culm and leaf of Cymbopogon flexuosus (lemongrass). Particles (<500 µm) were incorporated at 10 and 20 wt.% via twin-screw extrusion followed by compression moulding. Morphological analysis via SEM revealed distinct structural differences between culm- and leaf-derived particles, with the latter exhibiting smoother surfaces, higher density, and better dispersion in the matrix, resulting in lower void content. Quasi-static mechanical tests showed increased stiffness with filler content, particularly for leaf-based composites. This material, at 20 wt.% filler loadings, enhanced the tensile and flexural moduli of the neat Mater-Bi approximately three and two times, respectively, a result attributed to enhanced interfacial adhesion. Rheological measurements (rotational and capillary) indicated significant increases in complex viscosity, particularly for leaf-filled systems, confirming restricted polymer chain mobility and good matrix–filler interaction. Dynamic mechanical thermal tests (DMTA) results showed an increased storage modulus and a shift in glass transition temperature (Tg) for all biocomposites in comparison to Mater-Bi matrix. Specifically, the neat matrix had a Tg of −28 °C, which increased to −24 °C and −18 °C for the 20 wt.% culm-reinforced and leaf-reinforced biocomposites, respectively. Overall, the leaf-derived particles demonstrated superior reinforcing potential, effectively improving the mechanical, rheological, and thermal properties of Mater-Bi-based biocomposites. Full article
(This article belongs to the Section Polymer Composites and Nanocomposites)
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25 pages, 5253 KB  
Article
Formulation of Sustainable Materials from Agar/Glycerol/Water Gels: An Alternative to Polyurethane Foams in Single-Use Applications
by Perrine Pipart, Bruno Bresson, Alba Marcellan, Théo Merland, Yvette Tran, Jean-Charles Gorges, Olivier Carion and Dominique Hourdet
Gels 2025, 11(10), 842; https://doi.org/10.3390/gels11100842 - 21 Oct 2025
Viewed by 1358
Abstract
New compostable materials have been developed to replace single-use soft materials such as polyurethane foams (PUR). To this end, eco-friendly systems have been formulated on the basis of agar gels prepared in mixed solvent (glycerol/water) to meet specifications, i.e., stiffness of several hundred [...] Read more.
New compostable materials have been developed to replace single-use soft materials such as polyurethane foams (PUR). To this end, eco-friendly systems have been formulated on the basis of agar gels prepared in mixed solvent (glycerol/water) to meet specifications, i.e., stiffness of several hundred kPa, reasonable extensibility, and good stability when exposed to open air. While the addition of glycerol slows down gelation kinetics, mechanical properties are improved up to a glycerol content of 80 wt%, with enhanced extensibility of the gels while maintaining high Young’s moduli. Swelling analyses of mixed gels, in water or pure glycerol, demonstrate the preservation of an energetic network, with no change in volume, in pure water and the transition towards an entropic network in glycerol related to the partial dissociation of helix bundles. Dimensional and mechanical analysis of gels aged in an open atmosphere at room temperature shows that the hygroscopic character of glycerol enables sufficient water retention to maintain the physical network, with antagonistic effects linked to relative increases in glycerol, which tends to weaken the network, and agar, which on the contrary strengthens it. Complementary analyses carried out on aged agar gels formulated with an initial glycerol/water mass composition of 60/40, the most suitable for the targeted development, enabled the comparison of the properties of agar gels favorably with those of PURs and verified their stability during long-term storage, as well as their non-toxicity and compostability. Full article
(This article belongs to the Special Issue Food Hydrocolloids and Hydrogels: Rheology and Texture Analysis)
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15 pages, 3834 KB  
Article
Nanomechanical Properties of Rib Bones in Diabetic vs. Healthy Rat Models
by Tamás Tarjányi, Csaba Rosztóczy, Ferenc Peták, Fruzsina Kun-Szabó, Gábor Gulyás, József Tolnai, Krisztián Bali, Petra Somogyi, Rebeka Anna Kiss and Gergely H. Fodor
Nanomaterials 2025, 15(20), 1582; https://doi.org/10.3390/nano15201582 - 17 Oct 2025
Viewed by 753
Abstract
This study examines how diabetes mellitus and physiological aging influence the nanomechanical behavior of rat rib cortical bone using combined static and dynamic nanoindentation. Ribs from young control, old, and streptozotocin-induced diabetic rats were analyzed to quantify both intrinsic and frequency-dependent mechanical properties. [...] Read more.
This study examines how diabetes mellitus and physiological aging influence the nanomechanical behavior of rat rib cortical bone using combined static and dynamic nanoindentation. Ribs from young control, old, and streptozotocin-induced diabetic rats were analyzed to quantify both intrinsic and frequency-dependent mechanical properties. Static nanoindentation revealed markedly higher hardness and elastic modulus in the diabetic group (0.47 ± 0.22 GPa and 9.53 ± 3.03 GPa, respectively) compared to controls (0.11 ± 0.03 GPa and 3.21 ± 0.51 GPa; p < 0.001). The modulus-to-hardness ratio, an indicator of fracture toughness, was reduced from 30.34 in controls to 20.45 in diabetics, suggesting increased stiffness but greater brittleness. Dynamic nanoindentation (0–4.5 Hz) demonstrated significant aging-related changes in the storage and loss moduli (p < 0.001), while the loss factor (tan δ < 1) and viscosity remained similar across groups, indicating predominantly solid-like behavior. These results show that diabetes stiffens bone tissue through matrix-level alterations, whereas aging primarily affects its viscoelastic damping capacity. The combined static–dynamic nanoindentation protocol provides a robust framework for distinguishing disease- and age-related bone degradation at the tissue scale. Translationally, the findings help explain why bones in diabetic or elderly individuals may fracture despite normal mineral density, underscoring the need to assess bone quality beyond conventional densitometry. Full article
(This article belongs to the Special Issue Advances in Nanoindentation and Nanomechanics)
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23 pages, 2906 KB  
Article
Effect of PEG-600 Incorporation on the Mechanical and Thermal Response of Tunable Fiber-Reinforced Shape Memory Polymer Composites
by Marylen T. De la Cruz, Riana Gabrielle P. Gamboa, Ricky Kristan M. Raguindin, Jon Dewitt E. Dalisay and Eduardo R. Magdaluyo
Polymers 2025, 17(20), 2742; https://doi.org/10.3390/polym17202742 - 14 Oct 2025
Cited by 1 | Viewed by 1771
Abstract
Shape memory polymer composites (SMPCs) are an intelligent class of materials capable of self-actuation, offering promising applications in diverse stimuli-responsive material systems. This study developed epoxy-based SMPCs reinforced with carbon–aramid fibers at a 15:85 ratio, with their glass transition temperature (Tg) [...] Read more.
Shape memory polymer composites (SMPCs) are an intelligent class of materials capable of self-actuation, offering promising applications in diverse stimuli-responsive material systems. This study developed epoxy-based SMPCs reinforced with carbon–aramid fibers at a 15:85 ratio, with their glass transition temperature (Tg) tailored by incorporating 5 wt.% (SMPC-5) and 10 wt.% (SMPC-10) polyethylene glycol (PEG-600). Dynamic mechanical analysis (DMA) confirmed that PEG addition effectively reduced the Tg from 89.79 °C in the neat composite (SMPC-P) to 70.28 °C in SMPC-5 and 59.34 °C in SMPC-10. Incorporating 5 wt.% PEG enhanced storage and loss moduli, whereas excessive plasticization at 10 wt.% reduced stiffness. Infrared spectroscopy analysis revealed shifts and increased intensities in hydroxyl (OH), aliphatic C-H, and carbonyl (C=O) groups, indicating enhanced intermolecular interactions and bond formation. Tensile testing showed that the carbon–aramid filler significantly improved tensile strength and stiffness, with SMPC-10 achieving the highest tensile strength (233.59 MPa) and SMPC-5 the highest Young’s modulus (14.081 GPa). These results highlight the complementary role of carbon–aramid reinforcement and PEG plasticization in tuning thermomechanical behavior, providing baseline insights for designing SMPCs with tailored actuation and reliable structural performance. Full article
(This article belongs to the Special Issue Multifunctional Polymer Composite Materials, 2nd Edition)
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23 pages, 4535 KB  
Article
Effective Elastic Moduli at Reservoir Scale: A Case Study of the Soultz-sous-Forêts Fractured Reservoir
by Dariush Javani, Jean Schmittbuhl and François H. Cornet
Geosciences 2025, 15(10), 371; https://doi.org/10.3390/geosciences15100371 - 24 Sep 2025
Cited by 1 | Viewed by 716
Abstract
The presence of discontinuities in fractured reservoirs, their mechanical and physical characteristics, and fluid flow through them are important factors influencing their effective large-scale properties. In this paper, the variation of elastic moduli in a block measuring 100 × 100 × 100 m [...] Read more.
The presence of discontinuities in fractured reservoirs, their mechanical and physical characteristics, and fluid flow through them are important factors influencing their effective large-scale properties. In this paper, the variation of elastic moduli in a block measuring 100 × 100 × 100 m3 that hosts a discrete fracture network (DFN) is evaluated using the discrete element method (DEM). Fractures are characterised by (1) constant, (2) interlocked, and (3) mismatched stiffness properties. First, three uniaxial verification tests were performed on a block (1 × 1 × 2 m3) containing a circular finite fracture (diameter = 0.5 m) to validate the developed numerical algorithm that implements the three fracture stiffnesses mentioned above. The validated algorithms were generalised to fractures in a DFN embedded in a 100 × 100 × 100 m3 rock block that reproduces in situ conditions at various depths (4.7 km, 2.3 km, and 0.5 km) of the Soultz-sous-Forêts geothermal site. The effective elastic moduli of this large-scale rock mass were then numerically evaluated through a triaxial loading scenario by comparing to the numerically evaluated stress field using the DFN, with the stress field computed using an effective homogeneous elastic block. Based on the results obtained, we evaluate the influence of fracture interaction and stress perturbation around fractures on the effective elastic moduli and subsequently on the large-scale P-wave velocity. The numerical results differ from the elastic moduli of the rock matrix at higher fracture densities, unlike the other methods. Additionally, the effect of nonlinear fracture stiffness is reduced by increasing the depth or stress level in both the numerical and semi-analytical methods. Full article
(This article belongs to the Section Geomechanics)
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18 pages, 2746 KB  
Article
First-Principles Investigation of Structural, Electronic, and Optical Transitions in FexZr1−xO2 Solid Solutions
by Djelloul Nouar, Ahmed Hamdi, Ali Benghia and Mohammed ElSaid Sarhani
Appl. Sci. 2025, 15(18), 10224; https://doi.org/10.3390/app151810224 - 19 Sep 2025
Viewed by 1337
Abstract
First-principles density-functional theory (PBE, Quantum ESPRESSO) was employed to quantify how Fe substitution modulates the structural, elastic, electronic, and optical behaviour of cubic fluorite FexZr1−xO2 (x = 0.00–1.00). The fluorite FeO2 end member was treated as a [...] Read more.
First-principles density-functional theory (PBE, Quantum ESPRESSO) was employed to quantify how Fe substitution modulates the structural, elastic, electronic, and optical behaviour of cubic fluorite FexZr1−xO2 (x = 0.00–1.00). The fluorite FeO2 end member was treated as a hypothetical ambient-pressure limit to trace trends across the solid solution (experimental FeO2 being stabilized in the high-pressure pyrite phase). Mechanical stability was verified via the cubic Born criteria, and composition-dependent stiffness and anisotropy were assessed through Voigt–Reuss–Hill moduli, Pugh ratio, and elastic indices. A strong band-gap narrowing was found—from 3.41 eV (x = 0) to ≈0.02 eV (x = 0.50)—which was accompanied by a visible–NIR red-shift, large absorption (α ≈ 105 cm−1 at higher x), and enhanced refractive index and permittivity; metallic-like response was indicated at high Fe content. Spin-polarized calculations converged to zero total and absolute magnetization, indicating a non-magnetic ground state at 0 K within PBE. The effect of oxygen vacancies (V0)—expected under Fe3+ charge compensation—was explicitly considered: V0 is anticipated to influence lattice metrics, elastic moduli (B, G, G/B), and sub-gap optical activity, potentially modifying stability and optical figures of merit. Stoichiometric (formal Fe4+) predictions were distinguished from V0-rich scenarios. Absolute band gaps may be underestimated at the PBE level. Full article
(This article belongs to the Section Materials Science and Engineering)
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25 pages, 13196 KB  
Article
Effect of Printing Temperature on the Microstructure and Tensile Properties of Polylactic Acid–Magnetic Iron Composites Manufactured by Material Extrusion
by Meriem Bouchetara, Sofiane Belhabib, Alessia Melelli, Jonathan Perrin, Timm Weitkamp, Ahmed Koubaa, Mahfoud Tahlaiti, Mustapha Nouri and Sofiane Guessasma
Polymers 2025, 17(18), 2485; https://doi.org/10.3390/polym17182485 - 14 Sep 2025
Viewed by 1063
Abstract
In this study, we examined how printing temperature affects the microstructure and mechanical properties of polylactic acid (PLA) composite reinforced with iron oxide i.e., magnetite manufactured using a material extrusion technique. The composite was printed at temperatures from 185 °C to 215 °C. [...] Read more.
In this study, we examined how printing temperature affects the microstructure and mechanical properties of polylactic acid (PLA) composite reinforced with iron oxide i.e., magnetite manufactured using a material extrusion technique. The composite was printed at temperatures from 185 °C to 215 °C. Microstructure analysis via synchrotron radiation X-ray microtomography revealed changes in both iron oxide and porosity contents within the printed structures. Mechanical testing results demonstrated a limited effect of the printing temperature on tensile performance. Finite element computation is considered to predict the elasticity behavior of the printed composite by converting 3D images into 3D structural meshes. When implementing a two-phase model, the predictions show a leading role of the iron oxide content, and an overestimation of the stiffness of the composite. A three-phase model demonstrates a better matching of the experimental results suggesting a limited load transfer across the PLA-iron oxide interface with Young’s moduli in the interphase zone as small as 10% of PLA Young’s modulus. Magnetic actuation demonstrates that experiments on PLA-iron oxide plates reveal a pronounced thickness-dependent limitation, with the maximum deflection observed in thin strips of 0.4 mm. Full article
(This article belongs to the Special Issue Additive Manufacturing Based on Polymer Materials)
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14 pages, 15180 KB  
Article
A Neural-Operator Surrogate for Platelet Deformation Across Capillary Numbers
by Marco Laudato
Bioengineering 2025, 12(9), 958; https://doi.org/10.3390/bioengineering12090958 - 6 Sep 2025
Cited by 1 | Viewed by 1064
Abstract
Reliable multiscale models of thrombosis require platelet-scale fidelity at organ-scale cost, a gap that scientific machine learning has the potential to narrow. We trained a DeepONet surrogate on platelet dynamics generated with LAMMPS for platelets spanning ten elastic moduli and capillary numbers (0.07–0.77). [...] Read more.
Reliable multiscale models of thrombosis require platelet-scale fidelity at organ-scale cost, a gap that scientific machine learning has the potential to narrow. We trained a DeepONet surrogate on platelet dynamics generated with LAMMPS for platelets spanning ten elastic moduli and capillary numbers (0.07–0.77). The network takes as input the wall shear stress, bond stiffness, time, and initial particle coordinates and returns the full three-dimensional deformation of the membrane. Mean-squared-error minimization with Adam and adaptive learning-rate decay yields a median displacement error below 1%, a 90th percentile below 3%, and a worst case below 4% over the entire calibrated range while accelerating computation by four to five orders of magnitude. Leave-extremes-out retraining shows acceptable extrapolation: the held-out stiffest and most compliant platelets retain sub-3% median error and an 8% maximum. Error peaks coincide with transient membrane self-contact, suggesting improvements via graph neural trunks and physics-informed torque regularization. These results represent a first demonstration of how the surrogate has the potential for coupling with continuum CFD, enabling future platelet-resolved hemodynamic simulations in patient-specific geometries and opening new avenues for predictive thrombosis modeling. Full article
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15 pages, 3430 KB  
Article
3D Printed Parts Exhibit Superior Elastic Properties to Milled Ones
by Laisvidas Striška, Dainius Vaičiulis, Sonata Tolvaišienė, Dainius Udris, Nikolajus Kozulinas, Rokas Astrauskas, Arūnas Ramanavičius and Inga Morkvėnaitė
Coatings 2025, 15(8), 963; https://doi.org/10.3390/coatings15080963 - 19 Aug 2025
Cited by 2 | Viewed by 864
Abstract
While many studies on fused filament fabrication (FFF)-printed polymers focus on ultimate tensile strength or failure analysis, the elastic region of the stress–strain curve is frequently overlooked. However, in most engineering applications, components operate well within the elastic range. In mechanical joints, support [...] Read more.
While many studies on fused filament fabrication (FFF)-printed polymers focus on ultimate tensile strength or failure analysis, the elastic region of the stress–strain curve is frequently overlooked. However, in most engineering applications, components operate well within the elastic range. In mechanical joints, support frames, and other load-bearing structures, stiffness and elastic response are more critical than post-failure behavior, as these properties determine system performance during standard operating conditions before any damage occurs. This study examines the elastic properties of acrylonitrile butadiene styrene (ABS) components fabricated via FFF, with a focus on the impact of printing orientation and nozzle temperature. Tensile tests were performed according to ISO 527-2:1993, and the results were compared to those of milled ABS parts (referred to as FT). Two print orientations were studied: XT, where the layers are oriented perpendicular to the loading direction, and ZT, where the layers are aligned parallel to the loading direction (load-aligned). The study reveals that printing orientation has a significant impact on mechanical behavior. The specimens printed in the ZT orientation exhibited superior elastic modulus and tensile strength compared to the XT specimens and also outperformed the milled FT parts. At 245 °C, the ZT specimens achieved an average tensile strength of 41.0 MPa, substantially higher than the FT’s 31.1 MPa. Moreover, the ZT had approximately 12.6% higher elastic moduli than the FT (1.97 GPa ZT compared to 1.74 GPa FT). Although the FT parts showed higher strain at break, the ZT-printed parts demonstrated a stiffness and strength that suggest their viability as replacements for machined components in load-bearing applications. Full article
(This article belongs to the Section Environmental Aspects in Colloid and Interface Science)
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