The micro-structural properties of III-V group semiconducting Indium Phosphide (InP) material make it suitable candidate for the majority of nano electronics and optoelectronic applications. The present work focused on evaluation of temperature dependent study of nanoscale InP in wurtzite phase within temperature range 3001500K. The Lennard-Jones many-body interaction potential was utilized to evaluate the second-order elastic constants (SOECs) at the selected temperatures. The computation of other ultrasonic, mechanical and thermophysical features e.g. thermal conductivity, specific heat, energy density etc., of nanoscale InP are based on the obtained values of SOECs. The polynomial regression-based machine learning model has been employed to improve the physical consistency and predictive accuracy of the nonlinear, thermo elastic and acoustical evolution of InP material within the temperature range of 300K-1500K. The correlation analysis depicts pronounced interdependency between the phonon transfer mechanism, elastic stiffness and thermal conductivity of nanoscale InP at higher temperatures, emphasizing the influential role of anharmonic lattice dynamics. The results provide a robust predictive framework reliable reference data for the thermal design of InP-based nano electronic and optoelectronic devices.
The theoretical investigation has been performed for the B2/CsCl-type structured intermetallic materials ScM (M = Ni, Cu, Pt, Hg) to study their elastic, thermal, and ultrasonic features at 300 K. In this study, by means of Born potential model, higher order elastic constants have been carried out for the ScM in their B2 phase. The estimated results of second order elastic constants are employed to enumerate the mechanical features e.g., Lame modulus, Poisson’s factor, Zener anisotropy factor, Pugh’s factor. The ultrasonic velocities alongwith the Debye mean velocity have been estimated for wave passing through intermetallic systems ScM in ⟨100⟩, ⟨110⟩, ⟨111⟩ orientations utilizing SOECs and density. Further, the thermal properties such as thermal conductivity and relaxation time have been found out for the chosen intermetallic systems. Finally, we computed the acoustic attenuation of ScM, which has been enumerate at 300 K based on Akhiezer and thermo-elastic mechanisms. The study of the achieved results concedes the fundamental properties of B2 structured intermetallics ScM.
Using spin-polarized density functional theory, a comprehensive first-principles investigation has been carried out on the structural, magnetic, electronic, and thermal features of cobalt-doped zigzag-single-walled carbon nanotubes (z-SWCNTs) with chirality between (4,0) and (10,0) range. Energetic analysis indicates that all investigated nanotube configurations remain energetically favourable after Co substitution. Larger-diameter nanotubes exhibit higher cohesive energies, suggesting enhanced structural stability, whereas lower formation energies in smaller-diameter systems indicate more favourable Co incorporation in highly curved nanotubes. Furthermore, ab initio molecular dynamics (AIMD) simulations conducted at room temperature verified the thermal stability of the cobalt-doped z-SWCNT structure. Electronic structure analysis reveals strong chirality-dependent behaviour induced by Co doping. Most investigated nanotubes exhibit metallic characteristics, while only the (5,0) and (7,0) Co-doped SWCNTs display semi-metallic nature with complete spin polarization at the side of the Fermi level. This electronic response stems from strong hybridization among cobalt d states and carbon p orbitals close to the Fermi level. The magnetic analysis demonstrates that Co substitution induces localized magnetic moments mainly around the Co atom and adjoining carbon atoms, with smaller-diameter nanotubes showing improved magnetic behaviour because of stronger curvature-induced cobalt 3d–carbon 2p hybridization. In contrast, the (8,0) nanotube exhibits magnetic quenching associated with chirality-dependent electronic symmetry. Twice cobalt doping further reveals competing ferromagnetic and antiferromagnetic interactions with low energy differences, which indicate tunable magnetic phase stability. The obtained results offer important insight for the rational design of Co-doped SWCNTs for nanoelectronic and spintronic applications.
A comprehensive investigation of the elastic, mechanical, and thermo-acoustic properties of lead monochalcogenides PbX (X = S, Se) has been carried out along the principal crystallographic directions , and within the temperature range of 0–300 K using ultrasonic nondestructive evaluation method. The second- and third-order elastic constants (SOECs and TOECs) were computed using the Coulomb and Born–Mayer potential frameworks, confirming the elastic stability of the materials under study. Derived mechanical parameters and ultrasonic velocities were obtained from SOECs, indicating brittle mechanical behavior based on the Pugh’s ratio. At 300 K, the Debye temperature, Debye velocity, lattice thermal conductivity, acoustic nonlinearity parameter, and ultrasonic attenuation coefficient were evaluated along the studied orientations. Among all the directions, the orientation exhibited the highest Debye temperature and Debye velocity. The dominant mechanism of ultrasonic attenuation was identified as Akhiezer-type, emphasizing its relevance in thermal dissipation and acoustic damping. The findings suggest that PbSe possesses superior elastic stiffness, whereas PbS exhibits enhanced thermal conductivity and stronger phonon interactions. These characteristics underscore the potential of PbS and PbSe for applications in thermoelectric and ultrasonic sensing technologies.
Comprehensive understanding of the structural, mechanical, electronic, and thermodynamic behavior of intermetallic compounds is vital for unlocking their technological potential. This work explores a systematic investigation of the physical properties of ytterbium gold (YbAu) along the crystallographic directions < 100 >, < 110 >, < 111 > using the ultrasonic nondestructive evaluation technique employing the Born-Mayer theoretical model. The optimized structural parameters confirm the stability of YbAu and show good agreement with available literature. Elastic constants and derived moduli indicate that YbAu is mechanically stable and exhibits ductile behavior. Furthermore, the elastic anisotropy of the mechanical constants confirms the anisotropic nature of YbAu using the 3D surfaces. The second-order elastic constants along with density have been used to calculate ultrasonic velocities, thermophysical parameters and acoustic coupling constants which are further used to obtain thermoacoustic loss and Akhiezer loss in the temperature range 100-300 K. Overall, present study along with the comparative discussion with available results delivers the first comprehensive theoretical report on YbAu, offering fundamental understanding and guidance for future experimental investigations and potential applications of this material.
The present paper reports investigation of elastic, mechanical, thermal, and ultrasonic features of B4 ternary alloy GaxAl1-xN (0 <= x <= 1.0) at T = 300K. The second- and third-order elastic constants (SOECs and TOECs) were enumerated using the Lennard-Jones potential to judge the elastic stability of the selected alloys at 300 K. Pugh's ratio and Poisson's ratio show that all alloys display brittleness. The reducing trend of ultrasonic wave velocity with rising gallium concentration provides an indication of progressive lattice softening. The Debye characteristic temperature, thermal conductivity and relaxation time were assessed from elastic constants and ultrasonic velocities to explore the ultrasonic attenuation of the selected alloys. The semiconducting nature of the selected alloys has been confirmed by 10-11 s order of the relaxation time. The machine learning algorithms, namely Random Forest and XGBoost have been utilized for comparative performance analysis across various statistical metrices. It is clear from the observed trends that XGBoost performs stable and better conditions in maximum situations, as manifest from the lower fault values and smoother differences.The scatter plot investigation provides information about the strong pact between forecasted and observed values. The theoretical results are in consistent with the existing computational and experimental data, validating the applied theoretical model.
In the present investigation, the temperature-dependent elastic, mechanical, thermal and acoustic features of terbium monopnictides (TbX; X = As, Sb, Bi) in rock-salt (B1) structure have been theoretically investigated. The second-order elastic constants were calculated to assess mechanical stability and anisotropy. Key mechanical parameters - Young's modulus, shear modulus, bulk modulus, Poisson's ratio and compressibility - have been evaluated and visualized in 2D and 3D to investigate elastic anisotropy. Ultrasonic velocities (longitudinal, transverse and average), Debye temperature, thermal conductivity and thermal relaxation time were also estimated to understand the phonon transport and acoustic performance of the selected TbX. The results reveal significant thermal sensitivity in elastic and thermomechanical responses, with systematic trends across the pnictogen series. These findings highlight the potential of TbAs, TbSb and TbBi for high-temperature and high-frequency applications, including thermoelectric energy conversion, advanced microelectronics and thermal management systems.
Aim:This study aims to evaluate and compare the impact of dosimetric parameters on lungs, heart, and associated normal tissue complication probability (NTCP) values among three different right (RT) prescription doses in patients with synchronous bilateral breast cancer (SBBC). Materials and Methods:For retrospectively selected five patients diagnosed with SBBC, volumetric-modulated arc therapy treatment plans were developed across three different fractionation schedules: ultra-hypofractionated (UHF) (26 Gy/5#), hypofractionated (HF) (40.05 Gy/15#), and conventional fractionation (CF) (50 Gy/25#). The dosimetric parameters, including conformity index (CI), coverage index, homogeneity index, D95%, and V105%, along with the doses to organ at risk (OAR) (lung, heart, left anterior descending artery), were assessed. NTCP models were used to estimate the risks of complications. Results:The dose-volume parameters for OAR exhibited a parabolic trend (χ2) with the prescribed dose, showing significant statistical differences across various fractionation schedules (P = 0.985, P < 0.001). NTCP models indicated a reduction in risks with UHF compared to CF and HF, with probabilities of grade ≥2 radiation pneumonitis ranging from 2.69% to 6.80% and symptomatic fibrosis probabilities from 22.45% to 38.91%, both of which increased from UHF to CF. The calculations for biological effective dose and equivalent dose in 2 Gy fractions showed greater biological effectiveness for late-responding tissues in CF, while the impact on tumor control remained more uniform across different fractionation schemes. Conclusion:This study provides evidence in favor of hypofractionation for breast cancer radiotherapy, showing promise in minimizing normal tissue side effects.
The elastic, mechanical, and thermoacoustic properties of transition metal carbides (VC, NbC, and TaC) were systematically analyzed with respect to orientation and temperature. The second-third-and fourth-order elastic constants were determined using the Coulomb and Born-Mayer potential model in the temperature regime 0-500 K. The analysis confirmed the elastic stability of VC, NbC and TaC. Mechanical properties derived from the second-order elastic constants, reveals that VC, NbC, and TaC exhibit brittle characteristics at room temperature. The thermal parameters, including Debye temperature, thermal conductivity and thermal relaxation time were evaluated along the <100>, <110>, <111> orientations. The Debye velocity and Debye temperature were observed to reach maximum values along the <100> direction. The relaxation time due to thermal phonon process is of the order of intermetallics. Ultrasonic attenuation was predominantly governed by the Akhiezer mechanism rather than thermal relaxation effects. The calculated values were compared with other B1-structured materials, and the performance of VC, NbC, and TaC was assessed based on the obtained parameters.
The mechanical, elastic, thermophysical and nonlinear ultrasonic effect of scandium nitride (ScN) were studied in B1 and B2 both phases at 300K. The working out of the second- and third-order elastic constants (SOECs and TOECs) for ScN were done by using Coulomb and Born-Mayer potential model. The mechanical properties were calculated with the help of SOECs using Voigt–Reuss–Hill approximation. The nonlinear ultrasonic velocities, Debye average velocity and Debye temperature were evaluated with the calculated values of SOECs. The thermophysical properties of ScN were computed along <100>, <110> and <111> crystallographic orientations. Finally, the ultrasonic attenuation along suitable crystallographic direction was calculated in ScN at 300K. The acquired results were compared and discussed with existing findings of the ScN in B1 and B2 both phases.
Background: Optimal radiotherapy technique selection for left-sided breast cancer remains challenging. This study compared volumetric-modulated arc therapy (VMAT), VMAT+IMRT (VMAT+IMRT) and IMRT+VMAT (IMRT+VMAT) using an innovative integrated scoring system and risk factor (RF) assessment.Methods: Retrospectively analysed 41 patients with left-sided breast cancer. Treatment plans were evaluated using an integrated scoring system considering tumour coverage and organs at risk (OARs) sparing. RF analysis assessed potential adverse effects on the heart and lungs. Correlation analysis explored relationships between integrated scores and risk factors.Results: VMAT showed the best overall integrated score (10931 +/- 01707), followed by IMRT+VMAT (12011 +/- 02440) and VMAT+IMRT (12264 +/- 02499). VMAT had the highest percentage of Excellent OAR plans (146%), while VMAT+IMRT and IMRT+VMAT showed better PTV coverage (537% and 512% Excellent, respectively). RF analysis revealed: VMAT (heart RF: 0341, lung RF: 0671), VMAT+IMRT (heart RF: 0294, lung RF: 0750) and IMRT+VMAT (heart RF: 0533, lung RF: 0546). Correlation analysis showed strong positive correlations between integrated scores and lung RF for VMAT (r = 0671) and VMAT+IMRT (r = 0750), with IMRT+VMAT showing moderate correlations for lung (r = 0546) and heart (r = 0533) RFs.Conclusion: VMAT demonstrated the best balance between PTV coverage and OAR sparing, hybrid techniques improved target coverage but increased risk to OAR. The RF analysis highlighted varying impacts on heart and lung across techniques. This analysis provides valuable insights for technique selection, potentially improving treatment outcomes and reducing complications in left-sided breast cancer radiotherapy.
Objective: To find the optimal dose weighting for a combination of three-dimensional conformal radiotherapy (3DCRT) and hybrid volumetric modulated arc therapy (hVMAT) plans for thoracic oesophageal cancer radiation therapy.Methods and Materials: This retrospective study involved fourteen patients diagnosed with carcinoma of the oesophagus previously treated with VMAT radiotherapy techniques. Four hVMAT plans were developed for each patient, with a prescribed dose of 50.4 Gy delivered over 28 fractions. The plans incorporated varying ratios of 3DCRT and VMAT techniques: hVMAT-1(33% 2F 3DCRT/67% VMAT), hVMAT-2 (33% 3F 3DCRT/67% VMAT), hVMAT-3 (67% 2F 3DCRT/33% VMAT), and hVMAT-4 (67% 3F 3DCRT/33% VMAT). Dose volume histograms were used to assess the coverage of the planning target volume (PTV) and to analyse dosimetric parameters, including the doses received by organs at risk.Result: In the four hVMAT techniques, statistically insignificant differences were observed in PTV doses, conformity index and homogeneity index. Notably, monitor unit values differed significantly in three techniques, except for hVMAT-1(p = 0.358). hVMAT-3 demonstrated lower lung mean dose and lung V20Gy values (14.5 +/- 3.97, 21.09 +/- 9.02) compared to other techniques. There were statistically significant differences in heart mean doses between hVMAT-1 and hVMAT-2, or hVMAT-3 and hVMAT-4 plans (p = 0.462, p = 0.542). However, a significant difference in spinal cord Dmax was found only in hVMAT-1(p = 0.024).Conclusion: The hVMAT -1 and hVMAT-2 techniques (33% 2F 3DCRT/67% Arc) appear to be the most suitable weighting for the hybrid VMAT technique, offering optimal sparing of the lungs and heart while ensuring adequate coverage of the planning target volume.
The ultrasonic and thermophysical properties of the platinum group metal nitrides (PGMNs) osmium nitride, iridium nitride and platinum nitride were scrutinised along <100>, <110> and <111> orientations at room temperature. In the present work, we evaluate the second, third and fourth order elastic constants (SOECs, TOECs and FOECs) of the PGMNs in the temperature span 0-500 K using the Coulomb and Born-Mayer potential model. At T = 0 K, the mechanical properties of the PGMNs were investigated for potential industrial applications. The ultrasonic wave velocity and other thermophysical parameters have been determined to evaluate the thermal performance of the chosen materials along the <100>, <110> and <111> orientations. The ultrasonic attenuation resulting from both the phonon-viscosity mechanism and the thermoelastic relaxation mechanism was calculated for three different orientations at room temperature. These calculated results were then analysed and compared with provided data on the selected materials and similar material types.
Nonlinear elastic and thermoacoustical investigation of heavy rare earth pnictides DyPn (Pn=P, As, Sb, Bi) has been carried out at different temperature in different directions. The second and third order, elastic constants for B1 structured DyPn have been obtained in temperature interval 0-300K applying Born-Mayer potential model. The Cauchy and Born stability criteria predict that DyPn are elastically stable. The bulk and shear modulus are decreasing with atomic number which is highest for DyP and lowest for DyBi. The shear modulus to bulk modulus ratio are less than 0.57 which illustrates that chosen DyPn are brittle in temperature span 0-300K. The ultrasonic characteristics of DyPn have been tudied by calculating ultrasonic velocities, thermal conductivity, relaxation time and Gr & uuml;neisen parameter. The Debye characteristic temperature and thermal conductivity are highest for DyP at 100K along <111> direction for best suited thermal performance. The results of thermal relaxation time show that chosen DyPn are semimetallic in nature. The nonlinear Gruneisen parameter increases as DyBi>DySb>DyAs>DyP. The results in present study are calculated precisely and compared with previous structured values.
Cervical cancer presents considerable public health issues, particularly in its advanced stages, which require the implementation of effective management strategies. The role of radiation therapy in treatment is vital, highlighting the necessity for enhanced delivery techniques. We retrospectiveselected 15 patients with cervical cancer in FIGO stages IIB to IVA. 3DCRT, IMRT and Rapid Arc plans were compared in terms of target, organs at risk (OARs), conformity index (CI), uniformity index (UI), homogeneity index (HI), grandient index (GI), uniformity dosimetry index (UDI), conformation number (CN) and also recorded eclipse gradient index (GM), the high dose spillage index (outside the PTV) and the dose spillage index (R50
This study investigates the elastic stability of lithium-lead (LiPb) alloy by calculating second- and third-order elastic constants across a temperature range of 0-500K using the Born-Mayer potential model. Mechanical parameters derived from second-order elastic constants indicate that LiPb behaves as a ductile material at room temperature, as reflected by the Pugh ratio. The 3D visualizations of Young's modulus (E), bulk modulus (B), and shear modulus (G) demonstrate the anisotropic nature of LiPb. Ultrasonic velocity and attenuation evaluations indicate that the <100> direction is optimal for ultrasonic wave transmission, resulting in the lowest total attenuation. The Debye temperature and thermal conductivity decrease with rising temperature, illustrating the temperature-dependent thermophysical properties. These results give us important information for industrial uses that need mechanical and ultrasonic stability. Additionally, a machine learning (ML) technique employing Random Forest regression was employed to forecast thermal conductivity based on elastic constants, ultrasonic velocities, and crystallographic orientation. The model accurately represented the anisotropic and temperature-sensitive properties of LiPb, with SHAP analysis pinpointing temperature, direction, and elastic stiffness (C-11, C-12) as critical predictive variables. This data-driven method is a useful predictive tool that can be used alongside traditional simulations to screen materials for thermal applications.
This study investigates the temperature-dependent elastic, mechanical, thermal, and acoustic features of alkaline earth semiconductors calcium monochalcogenides CaX (X = S, Se, Te). First of all, the second- and third-order elastic constants have been calculated in the temperature range 0-500 K using the Born-potential model. The evaluated SOECs values were utilized to compute the mechanical constants at 0 K and 300 K. Selected materials in the present investigation have been found mechanically stable and brittle, in nature. The elastic anisotropy of the mechanical moduli has been presented using the 3D surface. SOECs have also been employed to perceive the acoustical wave velocities for longitudinal and shear modes of propagation and Debye mean velocities along <100>, <110>, and <111> directions. SOECs and TOECs were used to calculate the acoustic Gr & uuml;neisen parameters. Further, the Debye characteristic temperature, thermal conductivity, specific heat, and energy density were computed for CaX. Finally, the direction-dependent ultrasonic attenuation due to phonon-phonon interaction and thermelastic relaxation process has been computed for CaX at room temperature. The results obtained have been validated with existing results that are accessible for the chosen materials.
Purpose:The purpose of this study was to assess the dosimetric consistency and clinical interchangeability of treatment plans between factory beam-matched Varian TrueBeam SVC and Clinac iX linear accelerators across various anatomical locations. Materials and Methods:Eighty clinical plans were analyzed, including 40 intensity modulated radiotherapy (IMRT) plans (20 for cervix and 20 for head and neck) and 40 volumetric modulated arc therapy (VMAT) plans (20 for breast and 20 for urinary bladder). Both linacs were independently commissioned per AAPM-106 protocols. Plans were recalculated on the alternate machine and compared statistically. Patient-specific QA was performed using ArcCHECK with 3%/2 mm gamma criteria. Transferable fractions were estimated using ICRU-50 (±5%) and AAPM TG-40 (±2%) guidelines to determine fractions safely deliverable without re-planning. Results:Beam commissioning showed excellent agreement within ±1% for all dosimetric parameters. Head and neck IMRT had minimal differences (D95%: -0.26%, P < 0.001) and the highest transferability (median 39%, 10-14 fractions). Breast VMAT achieved consistent organ-at-risk sparing with moderate transferability (median 19%, 2-4 fractions). Urinary bladder VMAT displayed acceptable transferability (median 29%, 7-11 fractions). Cervical IMRT showed systematic dose increases on TrueBeam (planning target volume D95%: +1.57%, P = 0.012) with limited transferability (median 14%, 1-2 fractions). All plans exceeded gamma passing rates of 97.3%, with VMAT demonstrating superior consistency over IMRT (99.1% vs. 97.3-98.6%). Conclusions:Linear accelerators that are beam-matched in factories provide safe interchangeability of treatment plans for the majority of clinical scenarios, with VMAT showing improved consistency over IMRT due to continuous arc delivery averaging out minor machine-specific variations in multileaf collimator positioning and dose rate.
The temperature dependent mechanical, thermo-physical and nonlinear ultrasonic properties of europium monopnictides EuX (X: N, P, As and Sb) were studied in this exploration. The 2nd and 3rdorder elastic constants (SOECs and TOECs) of EuX were computed with the help of Coulomb and Born-Mayer potential applying two fundamental indicators i.e., the nearest neighbour distance and the hardness parameter in the temperature span 100-300K. Further the SOECs are applied to enumerate the mechanical variables such as elastic moduli, Zener anisotropic ratio, Poisson's ratio and Pugh's index using Voigt-Reuss-Hill (VRH) approach at T=300K. The results derived from elastic and mechanical properties confirm the mechanical stability and brittle nature of EuX. The acoustical velocities have been enumerated using the SOECs and density of EuX along <100>, <110> and <111> directions at T=300K. All above physical parameters have been utilized to compute the direction dependent Gruneisen parameter and Debye characteristic temperature of EuX at T=300K. The achieved values of this exploration are discussed and equated with materials of similar characteristics.
The propagation of ultrasonic wave in the hexagonal closed packed (hcp) structured lanthanide metal titanium (Ti) has been investigated in temperature range 300-1000K. For this, initially the higher-order elastic constants (SOECs and TOECs) have been computed using Lennard–Jones interaction potential model. With the help of SOECs, other elastic moduli such as Young’s modulus (Y), bulk modulus (B), shear modulus (G), Poisson’s ratio (σ), and Pugh’s ratio (B/G) have been computed for Ti metal using Voigt–Reuss–Hill (VRH) approximation. Later on, orientation dependent three types of ultrasonic velocities including Debye average velocities have been evaluated utilizing calculated values of SOECs and density of Ti in the same temperature range. Thermophysical properties such as lattice thermal conductivity, thermal relaxation time, thermal energy density, specific heat at constant volume and acoustic coupling constant of Ti have been also evaluated at same physical conditions. The ultrasonic attenuation due to phonon-phonon interaction is most significant in chosen physical conditions. The ultrasonic properties have been correlated with thermophysical properties to understand the microstructural features and nature of the material.