Stabilizing superconductivity of ternary metal pentahydride [Formula: see text] via electronic topological transitions under high pressure from first principles evolutionary algorithm.

We explored the phase stability of ternary pentahydride [Formula: see text] based on the first principles evolutionary algorithm. Here, we successfully search for a candidate structure up to 500 GPa. As a consequence, the possible stable structure of [Formula: see text] is found be to a monoclinic structure with space group Pm at a pressure of 50 GPa. Moreover, the orthorhombic structure with a space group of Cmcm is found to be thermodynamically stable above 316 GPa. With this, the Kohn-Sham equation plays a crucial role in determining the structural stability and the electronic structure. Therefore, its structural stability is discussed in term of electronic band structure, Fermi surface topology, and dynamic stability. With these results, we propose that the superconducting transition temperature ([Formula: see text]) of Cmcm structure is estimated to be 50 K at 450 GPa. This could be implied that the proposed Cmcm structure may be emerging as a new class of superconductive ternary metal pentahydride. Our findings pave the way for further studies on an experimental observation that can be synthesized at high pressure.

High-temperature superconductor of sodalite-like clathrate hafnium hexahydride.

Hafnium hydrogen compounds have recently become the vibrant materials for structural prediction at high pressure, from their high potential candidate for high-temperature superconductors. In this work, we predict [Formula: see text] by exploiting the evolutionary searching. A high-pressure phase adopts a sodalite-like clathrate structure, showing the body-centered cubic structure with a space group of [Formula: see text]. The first-principles calculations have been used, including the zero-point energy, to investigate the probable structures up to 600 GPa, and find that the [Formula: see text] structure is thermodynamically and dynamically stable. This remarkable result of the [Formula: see text] structure shows the van Hove singularity at the Fermi level by determining the density of states. We calculate a superconducting transition temperature ([Formula: see text]) using Allen-Dynes equation and demonstrated that it exhibits superconductivity under high pressure with relatively high-[Formula: see text] of 132 K.

Determination of field output correction factors of radiophotoluminescence glass dosimeter and CC01 ionization chamber and validation against IAEA-AAPM TRS-483 code of practice.

PURPOSE: To determine the field output correction factors of the radiophotoluminescence glass dosimeter (RPLGD) in parallel and perpendicular orientations with reference to CC01, the ionization chamber. METHODS: The dose to a small water volume and the sensitive volume of the RPLGD and the IBA-CC01 were determined for 6-MV, 100-cm SAD, 10-cm depth using egs_chamber user-code. The RPLGD in perpendicular and parallel orientations to the beam axis were studied. The field output correction factors of each detector for 0.5 × 0.5 to 10 × 10 cm2 field sizes were determined. These field output correction factors were validated by comparing field output factors against data determined from IAEA-AAPM TRS-483 code of practice. RESULTS: The field output correction factors of all detectors were within 5% for field sizes down to 0.8 × 0.8 cm2. For 0.5 × 0.5 cm2, the field output correction factors of CC01, RPLGD in perpendicular and parallel orientations differed from unity by 14%, 19%, and 5%, respectively. The percentage difference between field output factors determined using RPLGD and CC01 data, corrected using the field output correction factors determined in this work and measurements with CC01 data corrected using TRS-483, was less than 3% for all field sizes, except for the smallest field size of RPLGD in perpendicular orientation and the CC01. CONCLUSIONS: The field output correction factors of RPLGD and CC01 are reported. The validation proves that RPLGD in parallel orientation combined with the field output correction factors is the most suitable for determining the field output factors for the smallest field used in this study.

Characterization of natural rubber as a bolus material for electron beam radiotherapy.

BACKGROUND: Bolus is an accessory that is directly placed on the surface region to shift the radiation dose up to the skin during high energy photon and electron beam irradiations. The aim of this study was to mold the bolus using natural rubber material and assess both the physical and dosimetric characteristics. MATERIALS AND METHODS: A natural rubber with additional plasticizer material was fabricated as a bolus sheet. The physical properties of natural rubber bolus sheets have been investigated using computed tomography (CT) images. Gafchromic EBT3 films were used to acquire the dose at depth of 0, 2, 3, and 3.5 cm for the 9-MeV therapeutic electron beam. A comparison of our natural rubber bolus sheets to the commercial bolus sheets was studied. RESULTS: The in-house natural rubber bolus sheets with the thickness of 0.32 and 0.52 cm were successfully made. Relative electron density of the two sheets was consistent with each other. However, similar to the commercial boluses, the natural rubber boluses were not provided with the same CT number over the whole sheet. Different bolus material gave different dose at the surface. Both material and thickness of the bolus showed a stronger impact on the dose beyond the depth of maximum dose. CONCLUSION: Because of the density, simple fabrication, and vast availability, natural rubber material has an effective potential to be used as a bolus sheet in radiotherapy.

Equivalent square formula for determining the surface dose of rectangular field from 6 MV therapeutic photon beam.

The purpose of the study was to investigate the use of the equivalent square formula for determining the surface dose from a rectangular photon beam. A 6 MV therapeutic photon beam delivered from a Varian Clinac 23EX medical linear accelerator was modeled using the EGS4nrc Monte Carlo simulation package. It was then used to calculate the dose in the build-up region from both square and rectangular fields. The field patterns were defined by various settings of the X- and Y-collimator jaw ranging from 5 to 20 cm. Dose measurements were performed using a thermoluminescence dosimeter and a Markus parallel-plate ionization chamber on the four square fields (5 × 5, 10 × 10, 15 × 15, and 20 × 20 cm2). The surface dose was acquired by extrapolating the build-up doses to the surface. An equivalent square for a rectangular field was determined using the area-to-perimeter formula, and the surface dose of the equivalent square was estimated using the square-field data. The surface dose of square field increased linearly from approximately 10% to 28% as the side of the square field increased from 5 to 20 cm. The influence of collimator exchange on the surface dose was found to be not significant. The difference in the percentage surface dose of the rectangular field compared to that of the relevant equivalent square was insignificant and can be clinically neglected. The use of the area-to-perimeter formula for an equivalent square field can provide a clinically acceptable surface dose estimation for a rectangular field from a 6 MV therapy photon beam.

An investigation of the depth dose in the build-up region, and surface dose for a 6-MV therapeutic photon beam: Monte Carlo simulation and measurements.

The percentage depth dose in the build-up region and the surface dose for the 6-MV photon beam from a Varian Clinac 23EX medical linear accelerator was investigated for square field sizes of 5 × 5, 10 × 10, 15 × 15 and 20 × 20 cm(2)using the EGS4nrc Monte Carlo (MC) simulation package. The depth dose was found to change rapidly in the build-up region, and the percentage surface dose increased proportionally with the field size from approximately 10% to 30%. The measurements were also taken using four common detectors: TLD chips, PFD dosimeter, parallel-plate and cylindrical ionization chamber, and compared with MC simulated data, which served as the gold standard in our study. The surface doses obtained from each detector were derived from the extrapolation of the measured depth doses near the surface and were all found to be higher than that of the MC simulation. The lowest and highest over-responses in the surface dose measurement were found with the TLD chip and the CC13 cylindrical ionization chamber, respectively. Increasing the field size increased the percentage surface dose almost linearly in the various dosimeters and also in the MC simulation. Interestingly, the use of the CC13 ionization chamber eliminates the high gradient feature of the depth dose near the surface. The correction factors for the measured surface dose from each dosimeter for square field sizes of between 5 × 5 and 20 × 20 cm(2)are introduced.

Monte Carlo simulation of average glandular dose and an investigation of influencing factors.

This study aims to determine the average absorbed dose of radiation in glandular tissue during mammography and to investigate factors that influence the average glandular dose, particularly the local distribution of glandular tissue within the breast and breast skin thickness. An EGSnrc Monte Carlo code and associated codes were employed in the simulation. The breast voxel models used consist of a homogeneous and heterogeneous mixture of adipose and glandular tissues embedded in a skin layer. The percent depth dose and normalized average glandular dose coefficients for spectra of Mo-Mo target-filter combination were calculated. The results showed good agreement with the experimental results (percent depth dose) and literature values (normalized average glandular dose coefficients) when the breast model is homogeneous. Additional investigation of a heterogeneous breast phantom indicates that the local distribution of glandular tissue within the breast, as well as breast skin thickness, could affect the average glandular dose considerably more than that of a typical homogeneous breast model. This problem may be a concern in most practical situations of breast dosimetry when assessing the radiation risk to patients.

A comparison of mammographic x-ray spectra: simulation with EGSnrc and experiment with CdTe detector.

Mammographic x-ray spectra simulated by BEAMnrc/EGSnrc Monte Carlo code were qualitatively compared with the results obtained from the direct measurement using a cadmium telluride x-ray spectroscopy system and from the generation of IPEM report number 78. Generally, there is good agreement between the simulated and measured spectra, though there are slight differences at low energy in which the K-characteristic x-ray intensity is relatively higher for IPEM spectra. In addition, transmission curves were measured and simulated using a breast tissue-equivalent phantom (BR-12) as filtration. Comparison of the transmission curves shows good agreement. Moreover, the first half value layer (HVL) from direct measurement using ion chamber was consistent with the first HVL calculated by simulated spectra. Therefore, Monte Carlo may be used as an alternative tool for obtaining x-ray spectra when direct measurement is not available.

An empirical model for independent dose verification of the Gamma Knife treatment planning.

A formalism for an independent dose verification of the Gamma Knife treatment planning is developed. It is based on the approximation that isodose distribution for a single shot is in the shape of an ellipsoid in three-dimensional space. The dose profiles for a phantom along each of the three major axes are fitted to a function which contains the terms that represent the contributions from a point source, an extrafocal scattering, and a flat background. The fitting parameters are extracted for all four helmet collimators, at various shot locations, and with different skull shapes. The 33 parameters of a patient's skull shape obtained from the Skull Scaling Instrument measurements are modeled for individual patients. The relative doses for a treatment volume in the form of 31 x 31 x 31 matrix of points are extracted from the treatment planning system, the Leksell Gamma-Plan (LGP). Our model evaluates the relative doses using the same input parameters as in the LGP, which are skull measurement data, shot location, weight, gamma-angle of the head frame, and helmet collimator size. For 29 single-shot cases, the discrepancy of dose at the focus point between the calculation and the LGP is found to be within -1% to 2%. For multi-shot cases, the value and the coordinate of the maximum dose point from the calculation agree within +/-7% and +/-3 mm with the LGP results. In general, the calculated doses agree with the LGP calculations within +/-10% for the off-center locations. Results of calculation with this method for the dimension and location of the 50% isodose line are in good agreement with results from Leksell GammaPlan. Therefore, this method can be served as a useful tool for secondary quality assurance of Gamma Knife treatment plans.