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16 pages, 2516 KB  
Article
Machine Learning and RSM for Lattice Structure Optimization
by Giampiero Donnici, Marco Freddi and Leonardo Frizziero
Polymers 2026, 18(5), 627; https://doi.org/10.3390/polym18050627 - 3 Mar 2026
Abstract
This study concerns the analysis of lattice structures printed with EPAX resin for the manufacturing of a motorcycling throttle cam with Response Surface Methodology (RSM) and Artificial Neural Networks (ANNs). The design of the pattern core in the lattice structure is defined parametrically [...] Read more.
This study concerns the analysis of lattice structures printed with EPAX resin for the manufacturing of a motorcycling throttle cam with Response Surface Methodology (RSM) and Artificial Neural Networks (ANNs). The design of the pattern core in the lattice structure is defined parametrically to identify optimal design points (best stiffness to weight ratio in particular). Some geometric parameters used as input in RSM and in the NN analysis include the origin of the lattice structure and its spatial orientation, cell dimensions, and thicknesses. The dataset obtained with this approach is used for an RSM analysis of variance (ANOVA) to highlight the most important inputs. NN analysis is performed on the same RSM dataset to confirm the results. Both methodologies identify in-domain points of optimal design due to the typical non-linear behavior of these structures. The literature and industrial experience already provide numerous references to studies characterizing lattice structures. However, related practical applications are often incomplete and only achieve functional rather than optimal models. The approach described also aims to overcome this limitation. The software used for the design is nTop 5.0.4. Full article
(This article belongs to the Special Issue Modeling of Polymer Composites and Nanocomposites (2nd Edition))
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17 pages, 1271 KB  
Article
A Practical Application of Real Options Valuation to Urban Development Projects—The Case of the Deferral Option
by Dimitrios Kantianis, Dimitrios Tsiotas and Thomas Krabokoukis
Urban Sci. 2026, 10(3), 134; https://doi.org/10.3390/urbansci10030134 - 3 Mar 2026
Abstract
Nowadays, the urban population is steadily increasing worldwide and, as a result, global construction output is expected to grow to more than 16 trillion EUR by 2030. This rapid urbanization has created a strong need for the successful selection and delivery of urban [...] Read more.
Nowadays, the urban population is steadily increasing worldwide and, as a result, global construction output is expected to grow to more than 16 trillion EUR by 2030. This rapid urbanization has created a strong need for the successful selection and delivery of urban development projects to meet the challenges related to the provision of sustainable and resilient infrastructure, together with affordable residence solutions. Meanwhile, the dominance of the traditional capital budgeting discounted cash flow (DCF) technique has long been questioned for its inability to be effectively applied to the complex, uncertain, and turbulent current environment. The main cause of this stems from its deficiencies in recognizing and incorporating the value of managerial interventions through strategic decisions to delay, expand, or even abandon an investment. A real options analysis (ROA) is proposed in this paper as a dynamic “wait and see” alternative to the static “now or never” DCF methodology, which is based entirely on a positive net present value (NPV) output. Thus, the aim of the research is to explore whether the practical application of ROA for the assessment of the financial viability of urban development capital investment projects can be improved from the obtained managerial flexibility in the decision-making process. Spreadsheet-based mathematical models are developed for the analysis and implementation of both the Black–Scholes formula and the binomial lattice method. The results are discussed and compared with a classic DCF analysis. The main advantages of using ROA, i.e., determining alternative paths of urban development and providing a practical and flexible means to adapt to changing external conditions, are highlighted through the application of a common type of real option to an actual new multistorey office building project. Based on the DCF model and its negative NPV, the investment under study is not viable. However, when simply considering the delay strategic option, the project turns out to be highly valuable. For comparison reasons, future work is recommended on alternative types of real options, like the compound staging option, and towards the use of alternative ROA tools, like the Monte Carlo Simulation technique, non-recombining binomial lattices, and the dividend-based version of the Black–Scholes model. Full article
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43 pages, 2158 KB  
Article
A Lightweight Post-Quantum Anonymous Attestation Framework for Traceable and Comprehensive Privacy Preservation in VANETs
by Esti Rahmawati Agustina, Kalamullah Ramli, Ruki Harwahyu, Teddy Surya Gunawan, Muhammad Salman, Andriani Adi Lestari and Arif Rahman Hakim
J. Cybersecur. Priv. 2026, 6(2), 44; https://doi.org/10.3390/jcp6020044 - 2 Mar 2026
Abstract
Vehicular ad hoc networks (VANETs) require authentication systems that balance privacy, scalability, and post-quantum security. While lattice-based V-LDAA offers quantum resistance, it faces challenges in signature size, traceability, and integration. We propose post-quantum traceable direct anonymous attestation (PQ-TDAA), combining National Institute of Standards [...] Read more.
Vehicular ad hoc networks (VANETs) require authentication systems that balance privacy, scalability, and post-quantum security. While lattice-based V-LDAA offers quantum resistance, it faces challenges in signature size, traceability, and integration. We propose post-quantum traceable direct anonymous attestation (PQ-TDAA), combining National Institute of Standards and Technology (NIST)-standard Dilithium2 and Falcon-512 signatures with adapted Beullens-style blind signatures and Fiat–Shamir simplified Schnorr proofs, reducing proof size by 69.2% (8 kB vs. V-LDAA’s 26 kB) and supporting European Telecommunications Standards Institute Technical Specification (ETSI TS) 102 941-compliant traceability through Road Side Unit (RSU)-assisted verification. Evaluated using SageMath, Python 3.11, and NS-3, PQ-TDAA-Falcon-512 achieves 8.1 ms and 49.7 ms end-to-end delays at 10 and 20 vehicles, respectively, with 64.7 Mbps goodput on congested 802.11p channels, showing promise for densities of ≤50 vehicles and advantages over Dilithium2. Real-world validation on ARM Cortex-A76 (Raspberry Pi 5, emulating automotive OBUs) yields sub-0.5 ms V2V cycles within 100 ms beacon intervals, supporting practical embedded deployment. Future work will extend PQ-TDAA to emerging 5G and NR-V2X settings, integrate more realistic mobility and channel models through coupled NS-3 and SUMO co-simulation, and investigate side-channel resistance for enhanced scalability and robustness in real deployments. Full article
(This article belongs to the Special Issue Applied Cryptography)
15 pages, 4419 KB  
Article
Zn Impregnation onto a Zeolite-Supported Metal Catalyst for Improving the Synergy Between Metal and Acid Sites: Facilitating the Production of 3-Acetyl-1-propanol
by Yuanding Hu, Yuanyuan Gao, Jiawen Zhang, Zhongyi Liu and Qiaoyun Liu
Catalysts 2026, 16(3), 227; https://doi.org/10.3390/catal16030227 - 2 Mar 2026
Abstract
3-Acetyl-1-propanol (3-AP) is a key intermediate in the pharmaceutical and pesticide industries, which can be synthesized from the biomass derivative 2-methylfuran (2-MF) through a one-step hydrogenation process with significant economic and environmental benefits. Zeolite-supported metal catalysts showed feasible application, but simply regulating the [...] Read more.
3-Acetyl-1-propanol (3-AP) is a key intermediate in the pharmaceutical and pesticide industries, which can be synthesized from the biomass derivative 2-methylfuran (2-MF) through a one-step hydrogenation process with significant economic and environmental benefits. Zeolite-supported metal catalysts showed feasible application, but simply regulating the acidic sites was difficult to break the activity–selectivity balance. Traditional single-metal Pd-based catalysts still suffer from low dispersion. This study constructed the PdZn/TS-1 catalyst for the efficient conversion of 2-MF into 3-AP. The low electronegativity of Zn facilitates the electron transfer from Zn to Pd, forming an electron-rich Pd active center. A small amount of Zn embedded in the Pd lattice causes lattice contraction, optimizing the spatial configuration of active sites. The synergy between the electronic and structural effects significantly improves catalytic performance. Under optimized conditions, the conversion rate of 2-MF reached 80.6%, and the yield of 3-AP reached 69.1%, providing a new paradigm for the design of catalysts for the directed hydrogenation of furan derivatives. Full article
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38 pages, 14606 KB  
Review
Toward General Design of Mn-Based Layered Oxide Cathodes for Sodium-Ion Batteries: From Thermodynamic Principles to Entropy Engineering
by Li Dong, Xiang-Yu Qian, Jian Xiong, Yi-Han Zhang, Xing Wang, Jing-Yi Ding, Fa-Jia Zhang, Jia-Qi Shen, Qi-Rui Zhang and Yong-Gang Sun
Molecules 2026, 31(5), 836; https://doi.org/10.3390/molecules31050836 (registering DOI) - 2 Mar 2026
Abstract
Mn-based layered oxide cathodes are pivotal for advancing sodium-ion batteries, yet their practical deployment is hindered by structural instability and complex phase transformations during cycling. This review provides a systematic overview of recent strategies aimed at rational design and performance enhancement of these [...] Read more.
Mn-based layered oxide cathodes are pivotal for advancing sodium-ion batteries, yet their practical deployment is hindered by structural instability and complex phase transformations during cycling. This review provides a systematic overview of recent strategies aimed at rational design and performance enhancement of these materials. It begins with fundamental thermodynamic principles governing phase formation, particularly P2/O3 structural dichotomy, and highlights the critical roles of sodium content, transition metal chemistry, and ionic potential in determining crystal stability. The emergence of high-entropy engineering is examined as a powerful approach to suppress detrimental phase transitions through configurational entropy stabilization, lattice distortion, and synergistic multi-element interactions. Furthermore, the integration of machine learning with multidimensional descriptors including electronegativity-weighted entropy and cationic potential enables more accurate predictions of phase behavior in complex compositional spaces. The review also highlights the decisive influence of synthesis protocols, where precise control over calcination conditions, atmosphere, and local elemental distribution enables the formation of targeted phase architectures, such as P2/O3 intergrowth, which exhibit superior electrochemical robustness. Collectively, these advances illustrate a shift from empirical trial and error toward a theory-guided, data-informed framework for designing high-performance layered oxide cathodes. Full article
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14 pages, 3444 KB  
Article
Scan-Strategy Dependent Microstructural Modulation in L-PBF Ti-6Al-4V Components Through Selective Rescanning
by Kalyan Nandigama, Bharath Bhushan Ravichander, Yash Parikh and Golden Kumar
J. Manuf. Mater. Process. 2026, 10(3), 88; https://doi.org/10.3390/jmmp10030088 (registering DOI) - 2 Mar 2026
Abstract
Laser Powder Bed Fusion (L-PBF) can enable in situ microstructural tailoring of metallic components by precisely controlling the layer-wise processing parameters. Layer rescanning is one such strategy used to induce localized microstructural modification. In this study, we investigated the effect of a lattice-based [...] Read more.
Laser Powder Bed Fusion (L-PBF) can enable in situ microstructural tailoring of metallic components by precisely controlling the layer-wise processing parameters. Layer rescanning is one such strategy used to induce localized microstructural modification. In this study, we investigated the effect of a lattice-based selective rescanning approach applied to different base scan strategies for Ti-6Al-4V samples. The lattice regions were selectively rescanned at 50% reduced laser power relative to the initial scan along the same laser path. Relative density, porosity, martensitic α′ morphology, phase fraction, and Vickers microhardness were compared with those of non-rescanned reference counterparts. Different scan strategies, including unidirectional, stripes, and chess, exhibited distinct responses to selective rescanning, resulting in localized variations in martensitic phase formation and hardness values. The extent of localized microstructural modification and hardness enhancement was strongly governed by the underlying scan strategy. Selective rescanning using the stripes strategy yielded the largest contrast between non-rescanned and rescanned regions. The unidirectional strategy showed strong effects of rescanning, but the heat-affected zones extended to the non-rescanned regions. In contrast, the chess strategy exhibited comparatively moderate changes owing to its inherent thermal-management characteristics. These findings demonstrate that selective rescanning can provide an effective, localized approach for tailoring microstructure and hardness enhancement in L-PBF Ti-6Al-4V, with its effectiveness strongly dependent on the underlying scan strategy. Full article
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15 pages, 4855 KB  
Article
Effect of Sodium Carbonate on Phosphorus Reaction Behavior and Iron Mineral Transformation During Direct Reduction
by Shichao Wu, Bo Li, Yonggang Wei, Haoyuan Xu and Tichang Sun
Minerals 2026, 16(3), 270; https://doi.org/10.3390/min16030270 - 28 Feb 2026
Viewed by 74
Abstract
The coal-based direct reduction followed by magnetic separation (CDRMS) is an efficient iron extraction and dephosphorization process, which requires adding additives to improve the phosphorus removal rate. Compared with other additives, sodium carbonate has the advantages of good iron index, high phosphorus removal [...] Read more.
The coal-based direct reduction followed by magnetic separation (CDRMS) is an efficient iron extraction and dephosphorization process, which requires adding additives to improve the phosphorus removal rate. Compared with other additives, sodium carbonate has the advantages of good iron index, high phosphorus removal rate and less environmental pollution. Its role in phosphorus-rich oolitic iron ore (PROIO) where phosphorus exists in the form of apatite has been proved. However, the influence on the phosphorus transformation process in the lattice of iron minerals is not clear. In this paper, the effect of sodium carbonate on phosphorus removal in iron minerals and iron recovery during CDRMS was studied. Compared with not adding chemicals, the addition of sodium carbonate significantly reduced the phosphorus content of direct reduced iron (DRI) from 0.69% to 0.09%. The iron grade increased from 93.28% to 95.08%, and the iron recovery rate rose from 90.61% to 96.48%. The mechanism of sodium carbonate was revealed by using a synchronous thermal analyzer (TG–DSC), X-ray diffractometer (XRD), X-ray photoelectron spectrometer (XPS), scanning electron microscope and energy dispersive spectrometer (SEM–EDS), and vibrating sample magnetometer (VSM). The results show that sodium carbonate reacted with silicon and aluminum components to form nepheline, and the lattice substitution of phosphorus in iron minerals and silicon in nepheline prevents the reduction of phosphorus. In addition, sodium carbonate promotes the reduction of iron minerals, resulting in an increase in the magnetic properties of the reduction products. Full article
(This article belongs to the Section Mineral Processing and Extractive Metallurgy)
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39 pages, 5307 KB  
Article
Tailoring Syringic Acid–Trimesic Acid Mixed-Linker MIL-100(Fe): Evaluation of Drug-Loading Capacity, Bioavailability, and Toxicity
by Joshua H. Santos, Hannah Jean Victoriano, Mary Sepulveda, Hung-En Liu, Shierrie Mae N. Valencia, Rikkamae Zinca Marie L. Walde, Emelda A. Ongo and Chia-Her Lin
Pharmaceutics 2026, 18(3), 309; https://doi.org/10.3390/pharmaceutics18030309 - 28 Feb 2026
Viewed by 70
Abstract
Background/Objectives: The use of the drug delivery system is notable for the systemic improvement of low orally bioavailable compounds, such as the bioactive phenolic acid, syringic acid. Innovative techniques are employed to enhance the performance of certain drug delivery systems. In connection with [...] Read more.
Background/Objectives: The use of the drug delivery system is notable for the systemic improvement of low orally bioavailable compounds, such as the bioactive phenolic acid, syringic acid. Innovative techniques are employed to enhance the performance of certain drug delivery systems. In connection with our previously reported journal with the use of MIL-100(Fe) as a drug carrier for syringic acid, this study utilized a mixed-linker synthesis of syringic acid and trimesic acid and characterized the properties in comparison with the unmodified MIL-100(Fe) through a solid solution approach. Methods: Modified MIL-100(Fe) was synthesized by substituting different molar concentrations of syringic acid for trimesic acid through de novo synthesis. Simple impregnation of syringic acid was carried out at 12, 24, 36, and 48 h and at 1:1 and 1:2 molar ratios of MIL-100(Fe) to syringic acid. Characterization was performed via PXRD, FTIR, BET, SEM, and DLS. In vivo studies included acute oral toxicity testing (OECD 425) and bioavailability assessment in Sprague Dawley rats. Results: The optimized amount of syringic acid to be substituted for trimesic acid is 0.10 mmol, as confirmed by the value of the PXRD. Optimized drug loading of 66.85 ± 0.004% was achieved using a 1:2 ratio of syringic acid to MIL-100(Fe)-10% over 36 h. Structural modifications were confirmed via FTIR, specifically through shifts at 1239.2 cm−1, while TGA demonstrated thermal stability up to approximately 350 °C. Morphological analysis by SEM showed octahedral particles (210.70 ± 1.23 nm), and a decrease in BET surface area post-loading verified successful encapsulation. While in vitro release was media-dependent, toxicity studies at 2000 mg/kg showed no adverse effects; notably, SGOT and SGPT levels decreased, though BUN and creatinine levels rose. Compared to pure oral syringic acid, the SYA@MIL-100(Fe)-10% formulation demonstrated a 5.09-fold increase in relative bioavailability. Furthermore, it outperformed intraperitoneal administration of the drug by 1.65-fold. Conclusions: Modification of MIL-100(Fe) by incorporating syringic acid into the framework as a substituted organic linker indicates that SYA@MIL-100(Fe)-10% is a safe and effective delivery system for syringic acid, enhancing oral bioavailability. To the best of our knowledge, this is the first study to investigate the mixed-linker synthesis of MIL-100(Fe) by utilizing syringic acid as a structural co-ligand, rather than solely as an encapsulated guest. While MIL-100(Fe) has been extensively employed as a carrier for various therapeutics, this research uniquely integrates the active agent into the framework lattice itself to modulate porosity and loading capacity, subsequently evaluating its systemic performance in an in vivo model. Full article
(This article belongs to the Special Issue Advances in Natural Product-Based Drug Delivery Systems)
21 pages, 614 KB  
Article
Fyber: A Flexible-Dimension Post-Quantum Key Encapsulation Mechanism for IoT
by Shunqi Ma, Shuwen Luo, Weizhi Wang, Xi Lin and Huiyan Chen
Symmetry 2026, 18(3), 426; https://doi.org/10.3390/sym18030426 - 28 Feb 2026
Viewed by 119
Abstract
Following the completion of the NIST post-quantum cryptography standardization, Kyber has been adopted as a key encapsulation mechanism (KEM) for quantum-resistant communication. Although lattice-based KEMs provide strong security and efficiency, most existing designs restrict the cyclotomic ring dimension to powers of two, which [...] Read more.
Following the completion of the NIST post-quantum cryptography standardization, Kyber has been adopted as a key encapsulation mechanism (KEM) for quantum-resistant communication. Although lattice-based KEMs provide strong security and efficiency, most existing designs restrict the cyclotomic ring dimension to powers of two, which limits parameter flexibility for heterogeneous and resource-constrained Internet of Things (IoT) devices. In this paper, we propose Fyber, a post-quantum KEM based on the Module Learning With Errors (M-LWE) problem over a module ring defined by the cyclotomic polynomial f(x)=xnxn/2+1, where n is a product of powers of 2 and 3. This construction enables mixed-radix parameter selection and allows finer-grained trade-offs between security and efficiency. To further improve performance on constrained platforms, we introduce an efficient non-Gaussian sampling method. The proposed KEM supports flexible security-level stratification for IoT applications, achieving reduced public key and ciphertext sizes for selected parameter sets at the cost of moderately increased computational overhead compared to Kyber, and fills intermediate security gaps between existing standardized parameter sets. Full article
(This article belongs to the Special Issue Symmetry and Asymmetry in IoT Security)
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10 pages, 1646 KB  
Article
Surface Energies and Interface Structures of CuZr2 Crystals
by Hong-Wen Han, Xi-Fang Chen and Jian-Gang Yao
Crystals 2026, 16(3), 169; https://doi.org/10.3390/cryst16030169 - 28 Feb 2026
Viewed by 76
Abstract
Cu-Cr-Zr alloy is a typical precipitation-strengthened alloy, and the interface stability between precipitates and the Cu matrix significantly influences the alloy’s strength and properties. However, research in this field is currently lacking. In light of this, we focus on the CuZr2 precipitate [...] Read more.
Cu-Cr-Zr alloy is a typical precipitation-strengthened alloy, and the interface stability between precipitates and the Cu matrix significantly influences the alloy’s strength and properties. However, research in this field is currently lacking. In light of this, we focus on the CuZr2 precipitate and investigate its surface and interface properties using the GGA/PBE method within density functional theory. The results indicate that the (100) and (010) surfaces of CuZr2 share the same atomic structure, with both being stoichiometric surfaces. By fitting the relationship between the total energy of surface supercells with varying numbers of atoms and the number of atomic layers, the surface energy values were accurately calculated. The (100) surface is a non-stoichiometric surface, featuring three surface terminations: Cu, Zr1, and Zr2, with the Zr2 termination being the most stable. Finally, based on experimental observations, the atomic structure of the CuZr2 (010)/Cu (110) interface was predicted. The calculated interfacial energy reveals that the lattice mismatch between the CuZr2 precipitate and the Cu matrix significantly affects interfacial stability. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
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21 pages, 10859 KB  
Article
REE Enrichment Process in the Maoniuping Carbonatite-Related REE Deposits, Mianning, Sichuan: Genetic and Mineralogical Evidence
by Yanan Jin, Wei Wang, Bin He, Zhi Zhao and Ruiwei Zhao
Minerals 2026, 16(3), 257; https://doi.org/10.3390/min16030257 - 28 Feb 2026
Viewed by 61
Abstract
The Maoniuping deposit, recognized as the world’s third-largest light rare earth (LREE) deposit, is characterized by exceptional ore-forming conditions and considerable exploration potential. Based on systematic mineralogical investigations of chevkinite, allanite, and bastnäsite, this paper synthesizes the trace elements and rare-earth element (REE) [...] Read more.
The Maoniuping deposit, recognized as the world’s third-largest light rare earth (LREE) deposit, is characterized by exceptional ore-forming conditions and considerable exploration potential. Based on systematic mineralogical investigations of chevkinite, allanite, and bastnäsite, this paper synthesizes the trace elements and rare-earth element (REE) geochemical characteristics of these minerals to elucidate their enrichment mechanisms and metallogenic processes. The results reveal a crystallization sequence of chevkinite → allanite → bastnäsite, accompanied by a progressive decrease in the content of Nb, Ta, Zr, Hf, Sr, and Ba. This trend indicates continuous magmatic–hydrothermal evolution of the ore-forming fluids. REE enrichment exhibits distinct stages: early-stage enrichment of HREE, mid-stage enrichment of Ce, Pr, and Nd, and late-stage dominance of La. For chevkinite (δCe = 0.98–1.11, avg. 1.05; δEu = 0.75–0.87, avg. 0.82) and bastnäsite (δCe = 0.81–1.15, avg. 0.88; δEu = 0.58–0.79, avg. 0.66), the evolution process of the continuous increase in oxygen fugacity within the metallogenic system is recorded. The low-temperature, high-oxygen fugacity environment facilitates the incorporation of LREEs into bastnäsite lattices, enabling the formation of large-scale REE ore bodies at structurally favorable positions. These findings provide direct mineralogical evidence for understanding REE enrichment mechanisms in alkaline magmatic–hydrothermal systems and offer crucial insights for metallogenic process inversion and exploration assessment of analogous REE deposits. Full article
(This article belongs to the Section Mineral Deposits)
13 pages, 354 KB  
Article
STA-Mediated Interferometry with a Single Trapped Particle
by Alvaro Rodriguez-Prieto, Sofía Martínez-Garaot and Ion Lizuain
Entropy 2026, 28(3), 267; https://doi.org/10.3390/e28030267 - 28 Feb 2026
Viewed by 119
Abstract
We reviewand update schemes for different measurements using STA-mediated guided interferometry with a single trapped particle. STA stands for “shortcuts to adiabaticity”, a set of techniques to achieve the results of adiabatic dynamics in shorter times. In the first scheme we presented a [...] Read more.
We reviewand update schemes for different measurements using STA-mediated guided interferometry with a single trapped particle. STA stands for “shortcuts to adiabaticity”, a set of techniques to achieve the results of adiabatic dynamics in shorter times. In the first scheme we presented a protocol aimed at detecting weak unknown forces. It consisted of a single ion trapped in a harmonic potential and driven by time-and-spin-dependent forces generated via off-resonant lasers. Our approach provided stability and the independence of the results on the motional states for the small-oscillations regime. We could, also, design faster-than-adiabatic processes with sensitivity control. However, it required a rotation of the trapping potential at the moment the experiment starts. A much more practical and broadly applicable design was then developed, where no rotation is involved. Here, a single atom is driven by two moving spin-dependent trapping potentials where we guide the arms of the interferometer via shortcuts to adiabatic paths. In this paper, in addition to a brief review of these two previous proposals, we revisit the first scheme and present a new protocol where the spin-dependent driving force is generated via a “shaken” optical lattice. This opens the possibility for additional interferometric measurements beyond an unknown force, for example, the mass of the trapped ion, while still preserving the advantages of the previously proposed method. Full article
(This article belongs to the Special Issue Shortcut to Adiabaticity in Classical and Quantum Systems)
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17 pages, 3027 KB  
Article
Synthesis of Crystalline Copper Oxide (CuO) Nanoparticles via a Combined Polyol and Thermal Decomposition in Air
by Mohammad Jahid Hasan, Matthew Moreno, Paige Law, Vikram Kapoor and Esteban Ureña-Benavides
Materials 2026, 19(5), 926; https://doi.org/10.3390/ma19050926 (registering DOI) - 28 Feb 2026
Viewed by 64
Abstract
Copper(II) oxide (CuO) nanoparticles are of growing interest due to their versatility in catalysis, energy storage, and environmental remediation. In this work, a novel air-assisted polyol–thermal decomposition method was developed to synthesize crystalline CuO nanoparticles with a controlled size. The reaction used copper(II) [...] Read more.
Copper(II) oxide (CuO) nanoparticles are of growing interest due to their versatility in catalysis, energy storage, and environmental remediation. In this work, a novel air-assisted polyol–thermal decomposition method was developed to synthesize crystalline CuO nanoparticles with a controlled size. The reaction used copper(II) acetate in 1,4-butanediol at 140 °C under varying airflow conditions and reaction times, followed by calcination at 400 °C in air. Continuous air bubbling minimized the formation of Cu2O and metallic Cu, while maximizing the CuO yield with shortened reaction times. The optimal conditions involved a 4 h polyol reaction while purging air at 1800 cm3/min, followed by 4 h of calcination. This method resulted in polycrystalline monoclinic CuO nanoparticles with a size of 73 ± 32 nm, as observed by TEM and XRD. FT-IR and Raman spectroscopy verified the compositional purity of the nanoparticles. To enhance colloidal stability, a citrate coating reaction of CuO was optimized using sodium citrate dihydrate or citric acid in either water or 1,4-butanediol. The optimal coating conditions employed sodium citrate in water with bath sonication and overhead stirring, yielding a zeta potential of −40.6 ± 0.4 mV at pH 7. This work provides a practical and tunable method for producing high-quality CuO nanoparticles suitable for diverse applications. Full article
(This article belongs to the Special Issue Novel Nanoparticles: Synthesis, Properties and Characterization)
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13 pages, 1282 KB  
Article
Lattice Distortion, Band Gap and Band Tail in Heavily Doped In2O3:Sn and ZnO:Al Thin Films Annealed at Different Temperatures in Nitrogen
by Cecilia Guillén
Electron. Mater. 2026, 7(1), 4; https://doi.org/10.3390/electronicmat7010004 - 28 Feb 2026
Viewed by 124
Abstract
Heavily doped metal oxide thin films combining high visible transmittance and low electrical resistance are used in a multitude of optoelectronic devices, where their performance is highly dependent on the structural defects and density of electronic states associated with doping. This study explores [...] Read more.
Heavily doped metal oxide thin films combining high visible transmittance and low electrical resistance are used in a multitude of optoelectronic devices, where their performance is highly dependent on the structural defects and density of electronic states associated with doping. This study explores the structural, optical, and electronic properties of Sn-doped indium oxide (In2O3:Sn) and Al-doped zinc oxide (ZnO:Al) thin films, which were prepared by sputtering on unheated glass substrates and subsequently annealed in N2 at different temperatures between 250 °C and 450 °C. These samples reach free electron densities above 1020 cm−3 due to the presence of extrinsic donors (mainly substitutional defects of SnIn and AlZn) and also intrinsic donors (oxygen vacancies), which change with the annealing temperature due to oxygen desorption and/or cation migration processes. The volume of the crystal lattice expands (up to a maximum of 1.1%) and the band gap widens (up to a maximum of 17.9%) with respect to the undoped material, increasing with electron density. Additional absorption is due to band tail, at an energy ~10% below the undoped band gap, which varies slightly with the carrier concentration. The same general behavior is observed for both materials, with particularities in terms of crystal lattice and electronic states, which can be tuned by the heating temperature. Full article
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20 pages, 2787 KB  
Article
Vibrational Characteristics of High-Quality MBE Grown GaAs1−x−ySbyNx/GaAs (001) Epilayers
by Devki N. Talwar and Hao-Hsiung Lin
Materials 2026, 19(5), 923; https://doi.org/10.3390/ma19050923 (registering DOI) - 28 Feb 2026
Viewed by 118
Abstract
The significant disparity between the size and electronegativity of N and group-V (P, As, Sb) atoms in dilute III–V-Ns remains a cornerstone for developing the next-generation electronics. Variations in the structural, optical, and phonon properties of the quaternary GaAs1−x−ySbyN [...] Read more.
The significant disparity between the size and electronegativity of N and group-V (P, As, Sb) atoms in dilute III–V-Ns remains a cornerstone for developing the next-generation electronics. Variations in the structural, optical, and phonon properties of the quaternary GaAs1−x−ySbyNx alloys are being used for improving the high-performance photovoltaic energy and optoelectronic technologies. Bandgap Eg tunability has assisted efficient light emission/detection to cover the crucial optical fiber wavelengths for the low-cost integrated chips in data communications and sensing devices. The lattice dynamical properties of these materials are critical for assessing the reliability to evaluate the performance of long-wavelength lasers, photodetectors, and multi-junction solar cells. Our systematic Raman measurements on high-quality MBE grown GaAs0.946Sb0.032N0.022/GaAs samples have detected ωTO(Γ)GaAs and ωTO(Γ)GaAs phonons along with a high frequency NAs local mode near ~476 cm−1. Weak phonon structures on both sides of the broad 476 cm−1 band are interpreted forming a complex NAs–Ga–SbAs defect center. Using a realistic rigid-ion model in the Green’s function framework, the simulations of impurity modes for isolated and complex defects have provided corroboration to the experimental data. Full article
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