Beryllium Oxide Research Articles

Identification CH3F and CH3Cl molecules by the beryllium oxide nanocluster in presence of environmental gases: Electronic study via DFT

Identification CH3F and CH3Cl molecules by the beryllium oxide nanocluster in presence of environmental gases: Electronic study via DFT

Synthesis and Investigation of Properties of Beryllium Ceramics Modified with Titanium Dioxide Nanoparticles.

Samples of beryllium ceramics, with the addition of micro- and nanoparticles TiO2, have been obtained by the method of thermoplastic slip casting. The microstructure of batch ceramics, consisting of micropowders and ceramics with TiO2 nanoparticles sintered at an elevated temperature, has been investigated. It was found that the introduction of TiO2 nanoparticles leads to changes in the mechanisms of mass transfer and microstructure formation, and the mobility of TiO2 at interfacial grain boundaries increases, which leads to the formation of elements of a zonal shell structure. The reduction of intergranular boundaries leads to an increase in density, hardness, and mechanical strength of ceramics. The whole complex of properties of the synthesized material, with the addition of TiO2 nanoparticles in the amount of 1.0-1.5 wt.%, leads to an increase in the ability to absorb electromagnetic radiation in the frequency range of electric current 8.2-12.4 GHz. The analysis and updating of knowledge on synthesis, and the investigation of properties of beryllium ceramics modified by nanoparticles, seems to be significant. The obtained results can be used in the creation of absorbers of scattered microwave radiation based on (BeO + TiO2) ceramics.

Numerical assessment of ceramic micro heat exchangers working with nanofluids by Taguchi optimization approach

The rapid advancements in microsystems technology have necessitated the exploration of innovative materials for efficient thermal management in micro heat exchangers. This research delves into the performance evaluation of three ultra-high temperature ceramics (UHTCs): ZrB2, BeO, and Si3N4 as alternative micro heat exchanger fabrication materials. The study systematically assessed the ceramics' interaction with Al2O3-nanofluids across diverse volume percentages and mass flow rates using the Taguchi optimization method. Beryllium oxide (BeO) emerged as the superior material, registering warm outlet temperatures as low as 64.86°C and cold outlet peaks at 31.68°C. Sensitivity analyses further underscored the critical role of inlet temperature on outlet dynamics, with warm and cold outlets showing significances of ~72% and ~99%, respectively. Additionally, the research pinpointed 0.75 vol% as the optimal Al2O3-nanofluid concentration, yielding the most favorable performance metrics across the ceramics.

Beryllium oxide fullerene-like as a highly efficient sensor for formaldehyde: a DFT inspection

In tropospheric hydrocarbon oxidation triggered by the OH radical, formaldehyde (H2CO) is an essential reactive intermediate product. because of its toxicity and volatility, formaldehyde is harmful to human health. Therefore, formaldehyde removal is important for environmental pollution study. For multiple adsorption states, we present the adsorption energies, structures, energy gap (Eg), charge transfer, and electronic characteristics of formaldehyde (H2CO) on primary cations Li+, Li-, and two Li-encapsulated fullerene-like beryllium oxides (Be12O12, Li+@Be12O12, Li@Be12O12, and 2Li@Be12O12, respectively). By using DFT calculations, the results have been interpreted. The results show that the H2CO molecule weakly adsorbs to fullerene-like Be12O12, resulting in an energy release of around −0.38 to −0.14 eV and no substantial changes to its electrical characteristics. Compared to pure fullerene-like Be12O12, the H2CO adsorption properties of Li+@Be12O12, Li@Be12O12, and 2Li@Be12O12 are significantly improved. With the addition of H2CO, the most stable configuration energy gaps (Eg) shrank from 3.49 to 2.96 eV in the Li@Be12O12 and 2Li@Be12O12 samples. Additionally, it was demonstrated that following H2CO adsorption, the electrical conductance of Li@Be12O12 and 2Li@Be12O12 may be enhanced. The presence of H2CO molecules affects Li@Be12O12 and 2Li@Be12O12.

The applicability study and validation of TULIP code for full energy range spectrum

NECP-SARAX is a neutronics analysis code system for advanced reactor developed by Nuclear Engineering Computational Physics Laboratory of Xi'an Jiaotong University. In past few years, improvements have been implemented in TULIP code which is the cross-section generation module of NECP-SARAX, including the treatment of resonance interface, considering the self-shielding effect in non-resonance energy range, hyperfine group method and nuclear library with thermal scattering law. Previous studies show that NECP-SARAX has high performance in both fast and thermal spectrum system analysis. The accuracy of TULIP code in fast and thermal spectrum system analysis is demonstrated preliminarily. However, a systematic verification and validation is still necessary. In order to validate the applicability of TULIP code for full energy range, 147 fast spectrum critical experiment benchmarks and 170 thermal spectrum critical experiment benchmarks were selected from ICSBEP and used for analysis. The keff bias between TULIP code and reference value is less than 300 pcm for all fast spectrum benchmarks. And that bias keeps within 200 pcm for thermal spectrum benchmarks with neutron-moderating materials such as polyethylene, beryllium oxide, etc. The numerical results indicate that TULIP code has good performance for the analysis of fast and thermal spectrum system.

Modelling and Analysis of High-Performing Reconfigurable SPR Refractive Index Sensor Employing Beryllium Oxide, Nickel, and BlueP/WS2 Nanomaterials

Modelling and Analysis of High-Performing Reconfigurable SPR Refractive Index Sensor Employing Beryllium Oxide, Nickel, and BlueP/WS2 Nanomaterials

Theoretical study of perovskite nano material based surface plasmon resonance biosensor for cancers cell detection

The present study reports screening of cancer cells at the earliest stages using prism coupling-based surface plasmon resonance biosensors in a theoretical manner. The SPR sensors designed on Kretschmann configuration consisting of several layers like silver (Ag) metal, beryllium oxide (BeO) and hetero-structure BlueP/WSe2 layer deposited over BK7 glass prism. For maximum light absorption, a perovskite nano material, barium titanate (BaTiO3) layer is placed between BeO and hetero-structure BlueP/WSe2 to enhance the angular sensitivity. The light of 633 nm wavelength has been used for excitation of surface plasmon at metal dielectric interface. The refractive index of cancer cells lies between 1.360 and 1. 400. The optimized angular sensitivity of 216°/RIU and 360°/RIU for PCI-2 (normal, adrenal gland cancer), 248°/RIU and 254°/RIU for MDA-MB-231(normal, breast cancer cell) as well as 248°/RIU and 254°/RIU for MCF-7 (normal, breast cancer cell) respectively has been obtained. The maximum optimized angular sensitivity for adrenal gland cancer is 360°/RIU on employing perovskite layer. The sensor offers excellent performance parameters and covers wide range of refractive index sensing.

Study of electrophysical properties of beryllium ceramics with the addition of microand nanoparticles of titanium dioxide

In the present paper the research results of influence of nanoparticles TiO2 additions in the range 0,1 — 2,0 wt. % on electrophysical properties of oxide-beryllium ceramics (BeO + TiO2) made of micropowders are presented. The electrophysical characteristics of synthesized ceramics modified with 30 wt. % TiO2 microand nanoparticles in the electric current frequency range of 100 Hz — 100 MHz were studied by the total complex resistance method (impedance). It is known that the introduction of TiO2 addition to the BeOceramics after heat treatment in a reducing atmosphere is accompanied by a significant increase in electrical conductivity and the ability to absorb electromagnetic radiation in a wide range of frequencies. According to the results of the studies it was found that the addition of nanoparticles TiO2 into the (BeO + TiO2)-ceramics significantly reduces its static electrical resistance in comparison with the serial sample, and the specific conductivity of such ceramics significantly increases at high frequencies ~ 107 Hz. The addition of TiO2 nanoparticles significantly increases the dielectric losses of the sample sintered in the temperature range 1530 — 1550 °C. The values of real and imaginary parts of dielectric permittivity of such ceramics and the tangent of the angle of dielectric loss are two times higher compared to the serial sample — BT-30 (B — beryllium, T — titanium). The obtained results are unique in their kind, due to the experiment with a rare and strategically important material — beryllium oxide and the possibility of synthesizing new nanostructures based on it.

Molecular Dynamics Simulation of High Temperature Mechanical Properties of Nano-Polycrystalline Beryllium Oxide and Relevant Experimental Verification

This article investigated the deformation behavior of nano-polycrystalline beryllium oxide under tensile and compressive stress using the molecular dynamics simulation method. Both the tensile and compressive test results indicate that beryllium oxide breaks mainly along grain boundaries. At low temperature, there is little internal deformation of beryllium oxide grains. When the temperature is above 1473 K, the internal deformation of beryllium oxide grains also occurs, and the phenomenon becomes more obvious with the increase in temperature. This deformation within the grain should be plastic. The flexural strength fracture morphology of beryllium oxide also shows that the fracture mode of beryllium oxide is a brittle fracture at low temperature, while the slip bands appear at 1773 K. This indicates that beryllium oxide, as a ceramic material, can also undergo plastic deformation under high temperature and stress.

Detritiation of JET Beryllium and Tungsten

During the operation of a fusion reactor, first wall components are exposed to the plasma and therefore tritium, resulting in generation of tritiated materials that would be classified as intermediate level waste (ILW) following their removal from the vessel. Investigations were undertaken into the thermal treatment of beryllium and tungsten representative of the materials used within the Joint European Torus (JET) fusion reactor to assess if tritium from these materials can be removed in the Material Detritiation Facility at the United Kingdom Atomic Energy Authority. This detritiation process may allow the reclassification of these materials as low level waste (LLW). When heated in the presence of oxygen, both tungsten and beryllium readily oxidize as temperature increases. The oxide layers that are formed on tungsten and beryllium surfaces are thought to act as a tritium barrier, reducing the amount of tritium that can be removed by thermal treatment. As such, the generation of oxide layers may need to be minimized for treatment of tungsten and beryllium, potentially via thermal treatment at lower temperatures. Additionally, the formation of beryllium oxide presents health and safety concerns due to its toxicity and physical form. Experiments were undertaken using tungsten and beryllium samples from previous JET campaigns. The samples were heated in a pyrolyzer, and the tritium released was captured in a series of bubblers. The remaining tritium in the material was characterized by acid dissolution to allow for detritiation factors (which are defined as the fraction of tritium inventory in the sample before and after the thermal treatment) to be calculated. Tritium was successfully removed from the samples by thermal treatment in air. Future trials will use samples with larger tritium inventory to confirm obtained results and demonstrate the feasibility of thermal treatment as a detritiation method for tungsten and beryllium on higher-activity samples. This should allow for samples representative of the JET ITER-like wall (current JET configuration) to be detritiated and could demonstrate the ability of the process to reduce the tritium inventory of JET materials and allow reclassification of components from ILW to LLW.

Beryllium oxide nano-cage as sorbent and sensor for formaldehyde gas: DFT-D3 calculations

This work introduces DFT-D3 calculations to investigate the adsorption properties of The CH2O molecule on the Be12O12 nano-cage. The DFT-D3 calculations are performed using B3LYP/6-311 g(d,p). PDOS, NBO atomic charges, charge density difference, and QTAIM analyses are achieved. The impact of solvent, external static electric field (EF), and concentration of CH2O are examined. The CH2O molecule is chemically adsorbed on the Be12O12 nano-cage. The adsorption energy (Eads) and the HOMO-LUMO gap (Eg), consequently, the sensitivity, response time, and recovery time are controlled by the type of solvent, the electric field, and the concentration of CH2O. The Eads in the vacuum is −0.947 eV while in presence of negative EF enhanced it by 15.61 %. The Eg of Be12O12 is 7.870 eV whereas it reduced due to the adsorption of CH2O to 5.029 eV, then to 4.439 eV in the presence of the negative EF and to 3.688 eV at a high concentration of CH2O. Therefore, the results suggest that the Be12O12 nano-cage is a promising sensor for formaldehyde gas.

Studies of OSL properties of alkali- and rare earth-doped BeO based novel dosimeters for applications in external beam radiotherapy

This study aims to assess the feasibility of a novel Beryllium Oxide (BeO) based ceramics to be used as optically stimulated luminescence (OSL) dosimeters for monitoring of high-energy beams used in radiotherapy. The BeO ceramic dosimeters doped with alkali and rare earth metals (BeO:Na5%,Ce0.005%,Tb0.05%, BeO:Na5%,Ce0.01%,Er0.01%, and BeO:Na5%,Ce0.01%,Dy0.01%) were fabricated in pellet forms, and their luminescence responses were measured at the virtual water phantom interfaces for various field sizes of a 6 MV flattening filter-free photon beam of Varian LINAC. The OSL dosimeter's performance has been confirmed their practical usefulness as in vivo dosimeters in radiotherapy clinics. The provided dose estimates were validated using varying X-ray energies and doses, typically employed for actual medical radiotherapy systems. Our results indicated that the studied dosimeters rendered an almost linear response in the dose range of 0.05 Gy–20 Gy delivered from the 6 MV X-ray beam. Fading of the stored OSL was found to be less than 5% after a short storage period. The dependencies of OSL responses concerning beam energy, dose rate, irradiation angle, depth, and field size are all found to be supportive of the successful utilization of the BeO OSLDs in clinical environments.

Molecular dynamics study of the irradiation damage accumulation in beryllium oxide at different temperatures

Beryllium oxide as a nuclear material has received renewed attention in recent years, and it is critical to investigate the irradiation behavior. The irradiation damage accumulation in beryllium oxide is investigated by molecular dynamics method. The evolution of defects and the degree of amorphization have been revealed as a function of dose at different irradiation temperatures. The dislocation induced by irradiation is obvious only when the irradiation temperature is above 873 K. A new cubic diamond structure appears at higher irradiation temperatures. Simulated XRD results are closely related to the degree of amorphization. In addition, the influence of irradiation damage on the compressive strength of beryllium oxide under different irradiation conditions is also studied.

Stress corrosion phenomenon of BeO at room temperature and its mechanism: Experimental and molecular dynamics study

Beryllium oxide (BeO) has recently regained attention as a material in nuclear reactors. However, as an oxide ceramic, it is susceptible to the effects of a water environment, which can impact its service performance. This paper presents an experiment on the stress corrosion behavior of BeO in a water environment at room temperature (RT), along with a discussion of the relevant mechanisms. The study first conducted flexural strength tests in three different environments: vacuum, air, and water. It then performed Vickers hardness tests in both air and water environments. The results of both tests indicated a significant decrease in the strength of BeO in water environment, even at RT. Furthermore, the use of Time-of-Flight Secondary Ion Mass Spectrometry (TOF-SIMS) and molecular dynamics simulations revealed that the stress corrosion of BeO at RT was due to the breakage of the original Be-O bond, followed by the formation of a new Be-O bond with an O atom in H2O. This resulted in a reduction in the driving force needed for crack initiation and propagation. The findings of this study have practical implications for further research into the stress corrosion phenomenon of BeO at higher temperatures.

Optimized Moderator Design and Analysis of a Pin-Type Supercritical Carbon Dioxide Reactor Based on Reactor Monte Carlo Code

Abstract This study analyzed an yttrium hydride (YH2) moderated supercritical carbon dioxide cooled reactor loaded with pin-type, beryllium oxide diluted oxide fuel elements to reduce the critical enrichment. The impact of the YH2 on the coolant void reactivity was studied along with a moderator zoning scheme to flatten the radial power distribution. The YH2 was added as hexagonal moderating rods at the center of the fuel assemblies. The core was modeled using the continuous-energy Reactor Monte Carlo code (RMC) with the on-the-fly cross sections treatment. The results showed that the YH2 moderator increased the thermal fission and reduced the critical enrichment of the core with the same diluent volume fraction by more than 30%. The YH2 moderator significantly softened the neutron energy spectrum and reduced the neutron leakage upon core voiding, resulting in both a weaker positive spectral reactivity feedback and a weaker negative leakage reactivity feedback during core depressurization. For an UO2-loaded core, the YH2 gave a lower negative coolant void reactivity, while for a mixed oxide fuel (MOX)-loaded core with diluent volume fractions smaller than 35%, the spectral feedback was more important and the YH2 strongly reduced the positive coolant void reactivity to less than $1. Arranging the YH2 in the peripheral assemblies reduced the radial power peaking factor to 1.319. The study shows that the YH2 moderator can reduce the critical enrichment, make the core less sensitive to voiding, and can flatten the radial power distribution of a single-enrichment core through moderator zoning.

Further characterization of BeO detectors for applications in external and medical dosimetry

Measuring absorbed doses with high precision and accuracy for clinical applications using Optically Stimulated Luminescence (OSL) dosimeters can help to optimize treatment to patients. Beryllium Oxide (BeO) is a nearly tissue-equivalent material that has the potential to increase the applicability of OSL dosimetry in medical dosimetry, but there has been limited research into its characterization. We present here the characterization of BeO dosimeters in terms of annealing temperature and duration, the effect of preheat treatment on short-term fading, energy and angular dependence, and discuss possible errors in laboratory conditions by using the OSL technique. Shorter readoutof 30 s when using stimulation power of ∼30 mW cm2 is feasible but preheating then becomes necessary. The fading behavior of BeO was found to be dose-dependent in this case. Reproduciblity of an OSL measurement with repositioning of the dosimeter in the reader and for the short reaout times was found to be ∼1%. Energy response was close to the theoretical values, which agrees with some but differs from other published studies, indicating that the OSL efficiency might vary. The angular dependence presented the greatest uncertainty factor. In summary, BeO dosimeters have the potential to be used in clinical applications for dose evaluation. However, care should be taken while handling and applying an optimized measurement procedure is necessary due to the complex luminescence mechanism of the material.

Case Study of a 29 year-old Female with Ulcerative Proctitis

Our case report discusses SR a 29-year-old, physically active mother with weight - 150 lbs., height- 66 inches, and a BMI of 24. SR presented with a diagnosis of Ulcerative Proctitis of two years duration and with immediate need to address rectal bleeding (lower rectum and anus). No open wound, no hemorrhoids; only leaking fatigued tissue. Previous medications included mesalamine suppository prescribed when blood drainage was excessive -did not help extensively. Integrative planUlcerative Proctitis signifies inflammation, repair deficit and immune burden. This plan prioritizes reducing overall burden on the immune system, restoring healing and inducing repair. We used the LRA by ELISA/ACT® tests for delayed food and chemical sensitivities. This test was performed on February 5, 2021. Strong reactionsChicken, Sugar, Beet, Chamomile, FD & C Yellow # 6, D & C Green# 5, Locust Bean Gum, Benzyl Acetate, Parsnip Moderate reactionsPeanut, Carob, Swordfish, Geotrichum candidum, Toluene,Okra, RadishSR avoided the strong reactions for six months and moderate ones for three months- she discovered toluene in her lubricant! A supportive supplement regimen was also initiated – starting with the Ascorbate Vitamin C calibration (C cleanse) protocol. Other nutrients included a combination of L-carnitine, sulfur amino acids such as methionine, cysteine, and Omega 3 fats. SR continued the C cleanse weekly and took ~6 g buffered ascorbate daily. She also incorporated avocado in her diet to augment healthy fat intake.Eight months later there was already a significant decrease in blood loss. The LRA by ELISA/ACT test was repeated on October 16, 2021. Strong reactionsCow Dairy (group), Brewer's Yeast,1,2 Dichlorobenzene, Yogurt (Cow), Parsnip Moderate reactionsChocolate/Cocoa, Tuna, Processed Cheese (Cow), Mango, Eggplant, Tapioca, D & C Green #8, Benzopyrene, Beryllium Oxide, Isopropyl Ether, Catfish, Rapeseed/Canola Oil, Scallion/Spring Onion. Final outcomeThis second test showed a decrease in number of strong reactions, signaling improvement in immune tolerance. Omega 3 index close to 8% is healthy and SR's omega index increased to 7.38% and Omega 6/3 ratio improved to 4.8: 1.In 10 months

Solubility and diffusivity of hydrogen and its isotopes in the BeO system

AbstractThis work revisits hydrogen insertion in the wurtzite beryllium oxide in order to fill the gap in scientific knowledge regarding the diffusion coefficients of the different chemical states of hydrogen (neutral, charged, or molecular). Both first‐principle and macroscopic models were used to this end. In the former, two exchange‐correlation functionals (PBE and SCAN) were used to compute the properties of interest and accuracy was then discussed. Regarding the behavior of interstitial insertion of hydrogen, this work is slightly different from previous works; hydrogen was mainly found in the form of charged H− or H+ ions, depending on experimental conditions. In regard to diffusivity properties, a complex migration pathway was found for hydrogen cation. Finally, the present study succeeded in producing a reliable set of diffusion coefficients for neutral, charged, and molecular hydrogen.

INVESTIGATION OF THE RADIATION-THERMAL OXIDATION OF BERYLLIUM IN THE SYSTEM Be-WATER BY THE METHODS OF INFRARED AND OPTICAL SPECTROSCOPY

Radiation-thermal oxidation of beryllium in contact with water at temperatures T = 473…773 K under the combined effect of temperature and gamma radiation has been studied by methods of infrared and optical spectroscopy. The formations of an oxide layer on the surface of beryllium were traced from the infrared and optical reflection spectra. In the IR spectra, the broadening of the oxide layer on the Be surface (T = 573 K) was revealed with an increase in the absorbed dose by ~ 2.5 times, which is associated with inhomogeneities caused by gamma irradiation. According to the optical reflection spectra of the surface of radiation-thermally oxidized Be, it was revealed that in the region of the edge of short waves λ ≤ 250 nm, an absorption band is observed, the intensity of which increases with increasing contact time and indicates the formation of an oxide layer

Mitigating potential public health risks and challenges from hazardous materials contained in electronic waste items in a developing country setting.

Sustainable Development Goals (SDGs) Targets 12.4 and 3.9 aim to reduce deaths and illnesses from hazardous chemicals and to achieve environmentally friendly management of chemical and wastes. Electronic wastes, which contain hazardous chemicals, are rapidly generated in poor countries due to demand for affordable near-end-of-life internet-enabled gadgets that soon wear out and are improperly disposed due to ignorance, throw-away mentality and dearth of waste management infrastructure. This study identified hazardous chemicals contained in significant quantities in e-waste items, described their public health challenges and suggested mitigation measures. Results showed that mercury, polychlorinated biphenyls (PCBs), cadmium, lead and beryllium oxide were hazardous chemicals contained in significant quantities in e-waste items. The study recommended the formulation of appropriate environmental health education technology policy (AEHETP) to guide stakeholders to design education, preventive, therapeutic and decontamination plans for awareness creation and raising to address the toxic effects of e-waste items on users in poor countries.