Size Dependence Research Articles

Exceptional strength-ductility synergy in the novel metastable FeCoCrNiVSi high-entropy alloys via tuning the grain size dependency of the transformation-induced plasticity effect

In-depth knowledge of the coupling between grain refinement and the transformation-induced plasticity (TRIP) effect in metastable alloys is a viable approach for the improvement of strength-ductility synergy, which needs systematic research with consideration of commercial austenitic stainless steels and novel high-entropy alloys (HEAs). Accordingly, in the present work, two Si-containing metastable HEAs in the Fe47Co30Cr10Ni5V8-xSix system (x = 3 and 6 at.%) were designed, and the TRIP-assisted AISI 304L stainless steel was also considered for comparison. The alloys were processed by cold rolling and annealing to obtain different grain sizes. Reducing the stacking fault energy (SFE) through adjusting chemical composition contributes to minimizing the detrimental effect of grain refinement on the ductility of TRIP alloys, while extremely low SFE must be avoided owing to the fast kinetics of deformation-induced martensitic phase transformation, which leads to the deterioration of ductility. In contrast to AISI 304L stainless steel, a strong TRIP effect was maintained upon grain refinement in the Fe47Co30Cr10Ni5V2Si6 HEA due to the remaining apparent SFE in the appropriate TRIP range. The tuned kinetics of martensitic transformation was found to be responsible for the exceptional ductility (∼65%) of Fe47Co30Cr10Ni5V2Si6 HEA at an ultrahigh tensile strength of 1250 MPa. Therefore, considering the identical trend of SFE with grain size, an appropriate initial SFE value is important for tuning the grain size dependency of the TRIP effect. Moreover, the ultrahigh strength was attributed to the high volume fraction of α΄-martensite as well as the high strength of the martensite phase due to the high Si content. Accordingly, for achieving strong-yet-ductile HEAs, a high Si content is recommended to benefit from solid solution strengthening in the martensite phase, a specially-designed chemical composition is needed for attaining a high volume fraction of α΄-martensite, and SFE should be in a desirable range to tune the kinetics of martensitic phase transformation.

Design and Control of Polymeric Network Architectures Based on Network Dimension Theory

AbstractA new design policy to synthesize nanogel molecules having desired dimensions under unperturbed state is proposed. Miniemulsion copolymerization of vinyl and divinyl monomers, both conventional free‐radical polymerization and ideal living polymerization, is used to illustrate the method. For the network formation dynamics, the newly proposed model that takes into account the size and structure dependence of cross‐linking/cyclization reactions is employed. The master curve relationship that indicates the maximum average dimensions for randomly cross‐linked networks is used as a guideline and the network dimension is controlled by the magnitude of network maturity index NMI, which is the average number of cycle rank per primary chain. By appropriately sizing the NMI, it is possible to synthesize network polymers with dimensions equal to or greater than the maximum dimensions achievable with a homogeneous, randomly cross‐linked network polymer of the same cycle rank and molecular weight. The current strategy of designing and controlling 3D size is applicable regardless of the reaction mechanism of network formation and will also be applied to the synthesis of macro‐gels.

Determination of the particle size distribution of cube-shaped colloidal perovskite quantum dots from photoluminescence spectra: A combined theoretical-experimental approach.

A theoretical-experimental approach is proposed to convert the photoluminescence spectra of colloidal perovskite quantum dot ensembles into accurate estimates for their intrinsic particle size distribution functions. Two main problems were addressed and properly correlated: the size dependence of the first excitonic transition in a single cube-shaped quantum dot and the inhomogeneous broadening of the fluorescence line shape due to the size nonuniformity of the chemically prepared quantum dot suspension in addition to the single-dot homogeneous broadening. By applying the reported methodology to CsPbBr3 quantum dot samples belonging to the strong and intermediate confinement regimes, the calculated size distributions exhibited close agreement with those obtained from transmission electron microscopy, with precise estimates for the average particle size and standard deviation. Specifically for strongly confined ultrasmall CsPbBr3 quantum dots, the presented spectroscopic model for size distribution computation is based on a new analytical expression for the size-dependent bandgap, which was developed within the framework of the finite-depth square-well effective mass approximation accounting for band nonparabolicity effects. Such a quantum mechanical approach correctly predicts the expected transition to the intermediate confinement regime in sufficiently large quantum dots, which are traditionally described by the well-known bandgap equation in the infinite potential barrier limit with a spatially correlated electron-hole wavefunction and nonparabolic carrier effective masses. The proposed calculation scheme originates from general theoretical considerations so that it can be readily adapted to semiconductor quantum dots of many other systems, from all inorganic metal halides to hybrid perovskite materials, regardless of the adopted chemical synthesis route.

An Increase in The Cross-Section of Two-Photon Absorption of Styrene Dye in Supramolecular Complexes with Cucurbituriles

Two-photon absorption cross sections of aqueous solutions of the styryl dye trans-4-[4-(dimethylamino)styryl]-1-methylpyridinium iodide (DASPI) and its inclusion complexes with cucurbit[n]urils (CB[n] n = 6–8) were measured using fluorescence spectroscopy. A nonmonotonic dependence of the cross-section size on the excitation wavelength and on the cavitand cavity size was found. Compared with a free dye, a sevenfold increase in the two-photon absorption cross section was observed in DASPI inclusion complexes with CB[8] at an excitation wavelength of 980 nm.

Size and Shape Dependence of Hydrogen-Induced Phase Transformation and Sorption Hysteresis in Palladium Nanoparticles

Abstract Phase transitions of metals in hydrogen environments are critically important for applications in energy storage, catalysis, and sensing. Nanostructured metallic particles can lead to faster charging and discharging kinetics, increased lifespan, and enhanced catalytic activities. However, establishing a direct causal link between nanoparticle structure and function remains challenging. In this work, we establish a computational framework to explore the atomic configuration of a metal-hydrogen (M-H) system when in equilibrium with a H environment. This approach combines Diffusive Molecular Dynamics with an iteration strategy, aiming to minimize the system's free energy and ensure uniform chemical potential across the system that matches that of the H environment. Applying this framework, we investigate H chemical potential-composition isotherms during the hydrogenation and dehydrogenation of palladium nanoparticles, ranging in size from $3.9$ nm to $15.6$ nm and featuring various shapes including cube, rhombic dodecahedron, octahedron, and sphere. Our findings reveal an abrupt phase transformation in all examined particles during both H loading and unloading processes, accompanied by a distinct hysteresis gap between absorption and desorption chemical potentials. Notably, as particle size increases, absorption chemical potential rises while desorption chemical potential declines, consequently widening the hysteresis gap across all shapes. Regarding shape effects, we observe that, at a given size, cubic particles exhibit the lowest absorption chemical potentials during H loading, whereas octahedral particles demonstrate the highest. Moreover, octahedral particles also exhibit the highest desorption chemical potentials during H unloading. These size and shape effects are elucidated by statistics of atomic volumetric strains resulting from specific facet orientations and inhomogeneous H distributions. Prior to phase transformation in absorption, a H-rich surface shell induces lattice expansion in the H-poor core, while before phase transformation in desorption, surface stress promotes lattice compression in the H-rich core. The magnitude of the volumetric strains correlates well with the size and shape dependence, underlining their pivotal role in the observed phenomena.

Size-Resolved Shape Evolution in Inorganic Nanocrystals Captured via High-Throughput Deep Learning-Driven Statistical Characterization.

Precise size and shape control in nanocrystal synthesis is essential for utilizing nanocrystals in various industrial applications, such as catalysis, sensing, and energy conversion. However, traditional ensemble measurements often overlook the subtle size and shape distributions of individual nanocrystals, hindering the establishment of robust structure-property relationships. In this study, we uncover intricate shape evolutions and growth mechanisms in Co3O4 nanocrystal synthesis at a subnanometer scale, enabled by deep-learning-assisted statistical characterization. By first controlling synthetic parameters such as cobalt precursor concentration and water amount then using high resolution electron microscopy imaging to identify the geometric features of individual nanocrystals, this study provides insights into the interplay between synthesis conditions and the size-dependent shape evolution in colloidal nanocrystals. Utilizing population-wide imaging data encompassing over 441,067 nanocrystals, we analyze their characteristics and elucidate previously unobserved size-resolved shape evolution. This high-throughput statistical analysis is essential for representing the entire population accurately and enables the study of the size dependency of growth regimes in shaping nanocrystals. Our findings provide experimental quantification of the growth regime transition based on the size of the crystals, specifically (i) for faceting and (ii) from thermodynamic to kinetic, as evidenced by transitions from convex to concave polyhedral crystals. Additionally, we introduce the concept of an "onset radius," which describes the critical size thresholds at which these transitions occur. This discovery has implications beyond achieving nanocrystals with desired morphology; it enables finely tuned correlation between geometry and material properties, advancing the field of colloidal nanocrystal synthesis and its applications.

Impact of grain size on the performance of WSe2 FETs revealed by first principles calculations

Abstract We theoretically investigate the grain size dependence of the mobility of WSe2 field-effect-transistors (FETs), experimental results on which have been recently reported. Larger grain size (LG) WSe2 has been modeled by single monolayer WSe2 of infinite length. We model smaller grain size (SG) WSe2 as a partial monolayer of WSe2 with a zigzag edge WSe2 nanoribbon. Our results show that the step edges of the partial monolayer WSe2 function as electron traps. Moreover, the effective mass of SG WSe2 appears to be much larger than that of LG WSe2 because of hybridization with gap states originating from step edges at the conduction band minimum. These results coincide with recent experiments that show that the on-currents of SG WSe2 are much lower than those of LG WSe2. Hence, our calculated results indicate that large grain fabrication is essential for advanced large-scale integration (LSI) using WSe2 FETs.

Size-dependency and lattice-discreetness effect on fracture toughness in 2D crystals under antiplanar loading

AbstractFracture toughness is the material property characterizing resistance to failure. Predicting its value from the solid structure at the atomistic scale remains elusive, even in the simplest situations of brittle fracture. We report here numerical simulations of crack propagation in two-dimensional fuse networks of different periodic geometries, which are electrical analogs of bidimensional brittle crystals under antiplanar loading. Fracture energy is determined from Griffith’s analysis of energy balance during crack propagation, and fracture toughness is determined from fits of the displacement fields with Williams’ asymptotic solutions. Significant size dependencies are evidenced in small lattices, with fracture energy and fracture toughness both converging algebraically with system size toward well-defined material-constant values in the limit of infinite system size. The convergence speed depends on the loading conditions and is faster when the symmetry of the considered lattice increases. The material constants at infinity obey Irwin’s relation and properly define the material resistance to failure. Their values are approached up to $$\sim 15\%$$ ∼ 15 % using the recent analytical method proposed in Nguyen and Bonamy (Phys Rev Lett 123:205503, 2019). Nevertheless, the deviation remains finite and does not vanish when the system size goes to infinity. We finally show that this deviation is a consequence of the lattice discreetness and decreases when the super-singular terms of Williams’ solutions (absent in a continuum medium but present here due to lattice discreetness) are taken into account.

Edge-state-mediated RKKY coupling in graphene nanoflakes

We investigate the long-range behavior and size dependence of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in hexagonal and triangular graphene nanoflakes with zigzag and armchair edges. We employ the tight-binding model with exact diagonalization to calculate the RKKY interaction as a function of the distance between magnetic impurities, nanoflake size, and edge geometry. Our findings demonstrate a strong dependency of the RKKY interaction on edge geometry and flake size, with notable changes in the RKKY interaction strength. We further analyze the influence of structural defects on the interaction strength of exchange interactions.

Understanding the mechanisms of change in social norms around tobacco use: A systematic review and meta-analysis of interventions.

Tobacco use spreads through social networks influencing social norms around tobacco use. However, the social norms scholarship is extremely diverse and occasionally conflicting, complicating efforts to understand how best to leverage social norms to reduce tobacco use. This study systematically reviewed and meta-analyzed this vast terrain by focusing on social norms measurement and mechanism, and intervention effectiveness and modality aimed at changing social norms around tobacco use and actual tobacco use. We searched Scopus, PubMed, PsycInfo, Clinicaltrials.gov, ProQuest Dissertations, the Cochrane Trial Registry, as well as the websites of the Society for Research on Nicotine and Tobacco, the Open Science Framework, medrXiv and the Truth Initiative for experimental and quasi-experimental evaluation studies of interventions designed to shift tobacco use. We included studies written in English from inception to 30 May 2024. We only included studies which noted social norms or social influence as part of the intervention design or set of measured variables. We excluded studies with only one time point, without an intervention being evaluatedand those not published in English. Study screening followed the PRISMA 2020 guidelines, and was conducted by at least two independent reviewers who resolved discrepancies through discussion and consensus. All included studies were analyzed in a narrative synthesis, and those providing sufficient statistics for tobacco and social norms outcomes were included in meta-analyses, which were performed separately for tobacco outcomes and social norms outcomes. Study outcomes were transformed into a standardized mean difference (Hedges' g) and several meta-regressions were fit to explore sources of heterogeneity using a robust variance estimation specification to handle effect size dependency. A total of 95 studies met inclusion criteria for the narrative synthesis, 200 effect sizes from 86 studies were included in the tobacco outcomes meta-analysis, and 66 effect sizes from 29 studies were included in the social norms outcomes meta-analysis. Nearly 90% of included studies were conducted in high-income settings, with the remainder conducted in middle-income settings. No studies were conducted in Latin America or on the African continent. Social norms change interventions had a statistically significant effect on reducing tobacco use and pro-tobacco social normative perceptions [g = 0.233, 95% confidence interval (CI) = 0.166, 0.301, P < 0.001 and g = 0.292, 95% CI = 0.090, 0.494, P = 0.007, respectively]. Interventions were commonly conducted among schoolchildren in classrooms through multicomponent education sessions, often coupled with regular 'booster' sessions over time. Among adult populations, motivational interviewing and other counselling approaches were used in some cases, and few interventions leveraged digital technologies to change social norms. Social norms change interventions appear to be effective for reducing tobacco use and pro-tobacco social normative perceptions. In particular, leveraging role models appears to be the most effective social norms change mechanisms for tobacco control.

Advanced Anti-icing and Deicing Strategies for Overhead Power Transmission Lines Based on Giant Magnetocaloric Effect of La0.7Ca0.254Sr0.046MnO3.

Perovskite manganates (AMnO3) exhibit diverse structural, thermal, electrical, and magnetic properties. Their strong magnetocaloric effect (MCE) near the Curie temperature (TC) makes them ideal for magnetic-thermal anti-icing and deicing in power transmission lines. Below TC, ferromagnetic AMnO3 produces heat through multiple mechanisms, with the changing magnetic field induced by the strong AC current, causing heat through magnetic hysteresis and eddy currents, alongside the direct MCE. Above TC, no heating is generated, as MCE is unfavorable, thus preventing additional energy loss at elevated temperatures. In this work, La0.7Ca0.254Sr0.046MnO3 with TC close to 0 °C were synthesized by solid-state reaction. It is found that particle size >10 μm is beneficial for a large MCE, based on the results of particle size dependence of MCE. The resulting maximum magnetic entropy change at 277 K is 7.69 J·kg-1·K-1, and an adiabatic temperature change of 3.87 K at 277 K is achieved under 5 T. The prototype cable is fabricated using a well-established wire drawing process. A climate-simulation chamber is employed for the anti-icing and deicing experiments. The prototype cables demonstrated a strong capability for deicing and anti-icing. This simple and cost-effective prototype cable shows significant potential for mitigating the icing problem of overhead high-voltage power transmission lines.

Understanding and Quantifying Molecular Flexibility: Torsion Angular Bin Strings.

Molecular flexibility is a commonly used, but not easily quantified term. It is at the core of understanding composition and size of a conformational ensemble and contributes to many molecular properties. For many computational workflows, it is necessary to reduce a conformational ensemble to meaningful representatives, however defining them and guaranteeing the ensemble's completeness is difficult. We introduce the concepts of torsion angular bin strings (TABS) as a discrete vector representation of a conformer's dihedral angles and the number of possible TABS (nTABS) as an estimation for the ensemble size of a molecule, respectively. Here, we show that nTABS corresponds to an upper limit for the size of the conformational space of small molecules and compare the classification of conformer ensembles by TABS with classifications by RMSD. Overcoming known drawbacks like the molecular size dependency and threshold picking of the RMSD measure, TABS is shown to meaningfully discretize the conformational space and hence allows e.g. for fast checks of the coverage of the conformational space. The current proof-of-concept implementation is based on the ETKDGv3 conformer generator as implemented in the RDKit and known torsion preferences extracted from small-molecule crystallographic data.

Estimation of local variation in Young's modulus over a gold nanocontact using microscopic nanomechanical measurement method.

Nanoscale materials tend to have a single crystal domain, leading to not only size dependence but also orientation dependence of their mechanical properties. Recently, we developed a microscopic nanomechanical measurement method (MNMM), which enabled us to obtain equivalent spring constants (force gradients) of nanocontacts while observing their atomic structures by transmission electron microscopy (TEM). Therein, we evaluated Young's modulus based on a model that a newly introduced layer at the thinnest section of a nanocontact determined the change in the measured equivalent spring constant, and discussed their size dependence. However, this model is not general for other nanomaterials that do not exhibit the introduction of a new atomic layer while stretching. In this study, using MNMM, we propose a new analytical method to directly retrieve the local Young's modulus of nanomaterials by measuring initial lattice spacing and its displacement of a local region in the TEM image during the stretching of the nanocontact. This reveals the size dependence of local Young's modulus at various positions of the nanocontact at once. As a result, our estimated Young's modulus for a gold [111] nanocontact showed a size dependence similar to the one previously reported. This indicates that this analytical method benefits in revealing the mechanical properties of not only nanomaterials but also structurally heterogeneous materials such as high-entropy alloys.&#xD.

Controlling the luminescence of CdSe quantum dots in the fluorinephosphate glass

A series of fluorophosphate glasses with CdSe and CdSe+ZnSe are successfully synthesized. After heat treatment above the glass transition temperature, CdSe quantum dots with sizes 1.5–5.5 nm are formed. The luminescence spectra of CdSe quantum dots are analyzed at various temperatures, excitation energies and chemical composition of glass. The influence of selenium content on the growth features of quantum dots is shown. The size dependence of luminescence quantum yield on the QDs size is found. The 2.0–2.5 nm-sized QDs demonstrate trap emission in the region of 1.7–1.85 eV with a maximum quantum yield of 60 %. It is found that only a broad band due to the transition from the low state of the conduction band and the shallow donor trap states to the deep accepter trap levels is observed. This broad emission band is observed at any selenium cadmium ratio and zinc introduction.

On the Size Dependence in the Recent Time-Dependent Theory of Tropical Cyclone Intensification

Abstract Previous observational studies have shown that the intensification rate (IR) of a tropical cyclone (TC) is often correlated with its real-time size. However, no any size parameter explicitly appears in the recent time-dependent theory of TC intensification, while the theory can still well capture the intensity evolution of simulated TCs. This study provides a detailed analysis to address how TC real-time size affects its intensification and why no size parameter explicitly appears in the theory based on the results from axisymmetric numerical simulations. The results show that the overall correlation between the TC IR and real-time size as reported in previous observational studies, in terms of both the radius of maximum wind (RMW) and the radius of 17 m s−1 wind (R17), is largely related to the correlation between the IR and intensity because the size and intensity are highly interrelated. As a result, the correlation between the TC IR and size for a given intensity is rather weak. Diagnostic analysis shows that the TC real-time size (RMW and R17) has two opposing effects on intensification. A larger TC size tends to result in a higher steady-state intensity but reduce the conversion efficiency of thermodynamic energy to inner-core kinetic energy or the degree of moist neutrality of the eyewall ascent for a given intensity. The former is favorable, while the latter is unfavorable for intensification. The two effects are implicitly included in the theory and largely offset, resulting in the weak dependence of the IR on TC size for a given intensity.

Energy allocation theory for bacterial growth control in and out of steady state

Efficient allocation of energy resources to key physiological functions allows living organisms to grow and thrive in diverse environments and adapt to a wide range of perturbations. To quantitatively understand how unicellular organisms utilize their energy resources in response to changes in growth environment, we introduce a theory of dynamic energy allocation that describes cellular growth dynamics by partitioning metabolizable energy into key physiological functions: growth, division, cell shape regulation, energy storage and loss through dissipation. By optimizing the energy flux for growth, we develop the equations governing the time evolution of cell morphology and growth rate in diverse environments. The resulting model accurately captures experimentally observed dependencies of bacterial cell size on growth rate, superlinear scaling of metabolic rate with cell size and predicts nutrient-dependent trade-offs between energy expended for growth, division and shape maintenance. By calibrating model parameters with experimental data for the model organism Escherichia coli , our model describes bacterial growth control in dynamic conditions, particularly during nutrient shifts and osmotic shocks. Integrating both the mechanical properties of the cell and underlying biochemical regulation, our model predicts the driving factors behind a wide range of observed morphological and growth phenomena with minimal added complexity.

X-ray occultations in active galactic nuclei: Physical properties of eclipsing clouds as part of the broad-line region cloud ensemble

Context. Short-term X-ray variability in active galactic nuclei (AGNs) can be explained as being due to varying X-ray absorption induced by the temporary occultation of the primary X-ray source, when moving absorbing clouds cross the line of sight to the X-ray source itself. Earlier work suggests that these absorbing clouds have physical properties similar to those of broad-line region (BLR) emitting clouds and are located in the same spatial region. Aims. We intend to extract physical information on each individual absorber associated with any given occultation event detected in our sample and to analyse general properties of the cloud ensemble whose components can produce X-ray eclipses. Methods. From the analysis of previously detected occultation events, two ‘observables’ characterising each single occultation event can be derived: the peak fractional hardness ratio variation (ΔHR/HR) and the duration of the event normalised by a characteristic eclipse timescale evaluated for each AGN source. To determine the eclipsing cloud properties, we devised a procedure a) based on simplifying assumptions on the geometry of both the X-ray source and the cloud-like gas condensations, and on the cloud X-ray absorbing properties in the energy range of interest (2–10 keV), and b) relying on a set of simulated instrumental responses from both XMM and Suzaku relevant instruments to different incoming X-ray spectra, absorbed with varying absorber column density and maximum covering factor during the occultation. Thus, we derived information on the individual cloud producing any given occultation event, determining the cloud radius normalised to that of the X-ray source, the spatial location of the cloud, and an estimate of the cloud gas number density for reasonable values of the equivalent absorber column density. Results. The physical properties of eclipsing clouds that we obtained are consistent with those of BLR clouds. We can exclude the dominance, in the ensemble cloud size distribution, of clouds larger than about 10–12 times the Schwarzschild radius characterising each AGN, and we do not find any significant dependence of the cloud physical size on the distance from the central black hole, in agreement with the results of our previous work. As for the number density of these gas condensations, with our procedure we obtained values within a range of ∼109 − 1011 cm−3, which is consistent with the estimates derived from broad emission line analysis.

Uniaxial compression performance of anti-tetrachiral structures considering the effects of cell size and boundary conditions

Anti-tetrachiral structures (AS) are typical metamaterials known for their negative Poisson's ratio. The existing analysis of the mechanical properties of AS is conducted by applying the energy method to a unit cell with periodic boundary conditions (PBC). In available works, the shear force at the structure's boundaries is neglected. But is it permissible to disregard the impact of shear forces at the boundaries on the structure's equivalent mechanical properties? By examining the deformation relationship between the ribs and the nodal rings, we developed a uniaxial compression model for AS under both free and constrained boundary conditions, which accurately predicts the mechanical properties of the AS structure. This model was validated through numerical simulations and experiments. The findings reveal that the equivalent mechanical properties of AS exhibit a size dependence related to the cell size. For example, for AS with equivalent density and identical overall dimensions, the equivalent Young's modulus of an AS with 2×2 cells will be twice that of an AS with 4×4 cells. Furthermore, the size effect of the structure can be neglected when the number of cells larger than 8×8. Moreover, it is found that the present model considering boundary conditions exhibits an equivalent Young's modulus 25% higher than the model neglecting boundary conditions. The study's findings indicate that the presence of boundary conditions can disrupt PBC, leading to significant discrepancies between theoretical derivations and practical applications.

Size dependence of electrical resistivity caused by stress-induced rejuvenation for metallic glassy microfibers

In this paper, we investigate the electrical transport properties of Zr-, La- and Pd-based metallic glassy fibers (MGFs) with diameters at microscale, which are fabricated by superplastic deformation at high temperatures. It is found that with the decrease of the diameter, the resistivity of the MGF increases with decreasing temperature more quickly. As compared to the thicker one, the structure of the thinner MGF is more strongly rejuvenated with a larger relaxation enthalpy, a larger average short-range atomic distance and less crystal-like structure induced by the larger normal stress during its formation process. Based on the evolution of the heterogeneous structure, the dependence of electrical resistivity on the size for the MGFs is interpreted within the extended Ziman liquid-metal theory. The results might be significant for controlling the electrical properties of MGFs via tunning their glassy states and applying them in micro-electromechanical systems.

Composition, Temperature, and Size Regulation of Refractive Index in Ternary Group-Ⅲ Nitride Alloys: a Bond Relaxation Investigation

Abstract The physical origins of composition-, temperature-, and size-motivated changes in refractive index in crystals have long been a puzzle. Combining the bond-order-length-strength theory, local bond average approach, and core-shell structural model, we investigated the refractive indexes in dependencies of composition, temperature, and size for the ternary wurtzite group-Ⅲ nitride alloys. The theoretical reproduction of the observations disclosed that (ⅰ) the doping of small atoms caused the contraction in bond length, the strengthening in bond energy, and the decrease of refractive index, whereas the doping of large atoms led to an elongation of bond length, a weakening of bond energy, and an increase of refractive index; (ⅱ) the refractive index is inversely proportional to the cohesive energy and the cube of the Debye temperature; and (ⅲ) with the gradual decrease in solid size, the coordination number lowers, the bond length contracts, the bond energy gains, the surface-to-volume ratio rises, and the refractive index decreases. The proposed formulation not only shows an in-depth comprehension of the physical essence of the stimuli impact on the refractive index but also is expected to be conducive to the exploitation, optimization, and operation of the new-type photonic, piezoelectric, and pyroelectric nanometer devices for the ternary wurtzite alloys.