Search Results (89)

Pebble Bed Reactors (PBRs) represent a new generation of nuclear reactors. However, modeling TRi-structural ISOtropic (TRISO) fuel particles employed in PBRs presents a unique challenge in comparison to most conventional reactor designs. Rapid generation of different possible fuel particle configurations for Monte-Carlo simulations provides improved insights into the effects of particle distribution irregularities on the neutron economy. Defective pebbles could cause changes in the neutron flux in a nuclear reactor due to increased or decreased moderating effects. Different configurations of particle fuel also impact isotope production within the nuclear reactor. This study simulates several TRISO configurations representing limited capabilities of randomization algorithms, manufacturing defects configurations and/or special pebble design. All predictions are compared to an equivalent homogenized model used as baseline. The results show that the TRISO configuration has a non-negligible impact on the parameters under consideration. To explain these results, the ratio of the thermal flux of each model to the thermal flux of the homogeneous model is calculated. A clear pattern is observed in the data: as irregularities in the moderator medium emerge due to the distribution of TRISO particles, the neutron spectrum softens, leading to higher values of k_∞ and better fuel utilization. This dependence of the spectrum on the TRISO configuration is used to explain the pattern observed in the depletion calculation. The results open the possibility of optimizing the TRISO configuration in manufactured pebbles for fuel utilization and safeguards. Future work should focus on full core simulations to determine the extent of these findings. Full article

The growing demand for natural anti-aging ingredients necessitates scientific validation of traditional cosmetic materials. Multani Mitti (MM), a clay widely used in South Asian traditional skincare, lacks comprehensive chemical and biological characterization. This study employed a multi-analytical approach to investigate MM’s anti-aging potential through chemical analysis, enzyme inhibition studies, and in silico evaluations. Five commercial MM samples were pooled and analyzed using instrumental neutron activation analysis (INAA) and Gas Chromatography–Mass Spectrometry (GC-MS). INAA revealed silicon as the predominant inorganic constituent (169.3742 mg/g), while GC-MS identified 13 bioactive compounds, with Beta-sitosterol (15.45% area), Docosanamide (12.36% area), and Cyclohexasiloxane (9.80% area) being the most abundant. MM demonstrated significant enzyme inhibition against key aging-related enzymes, with notably strong effects on hyaluronidase (IC₅₀: 18 μg/mL) and tyrosinase (IC₅₀: 27 μg/mL), outperforming standard inhibitors. The antioxidant activity showed moderate effectiveness (IC₅₀: 31.938 μg/mL) compared to ascorbic acid (IC₅₀: 8.5 μg/mL). Molecular docking studies of identified compounds against hyaluronidase (PDB: 1FCV) and tyrosinase (PDB: 3NQ1) revealed Beta-sitosterol and Benzyl-piperazine-carboxamide as the most promising candidates, showing strong binding affinities (−8.5 and −8.6 kcal/mol, respectively) and favorable ADMET profiles. This comprehensive characterization provides the first scientific evidence supporting MM’s traditional use in skincare and identifies specific compounds that may contribute to its anti-aging properties, warranting further investigation for modern cosmetic applications. Full article

The identification and prediction of effective reservoir rocks are important for evaluating the energy production potential of ultra-deep tight sandstone reservoirs. Taking the Keshen gas field, Tarim Basin, as an example, three distinct petrofacies are divided according to petrology, pores, and diagenesis. Petrofacies, well logs, and factor analysis are combined to predict effective reservoir rocks. We find that petrofacies A has a relatively coarse grain size, moderate mechanical compaction, diverse but low-abundance authigenic minerals, and well-developed primary and secondary pores. It is an effective reservoir rock. Petrofacies B and petrofacies C are tight sandstones with a poorly developed pore system and almost no dissolution. Petrofacies B features abundant compaction-susceptible ductile grains, intense mechanical compaction, and underdeveloped authigenic minerals, while petrofacies C features pervasive carbonate cementation with a poikilotopic texture. We combine well logging with gamma ray, acoustic, bulk density, neutron porosity, resistivity, and factor analyses to facilitate the development of petrofacies prediction models. The models reveal interbedded architecture where effective reservoir rocks are interbedded with tight sandstone, resulting in the restricted connectivity and pronounced reservoir heterogeneity. Classifying and combining well logs with a factor analysis to predict petrofacies provide an effective means for evaluating the energy potential of ultra-deep reservoirs. Full article

A common route for the synthesis of molybdenum nitrides is through the temperature-programmed reaction of molybdenum oxides with NH₃, or ammonolysis. In this work, the role of precursor phase, gas phase chemistry (impact of H₂O), and temperature profile on the reaction outcome (700 °C) was examined, which resulted in varying amounts of MoO₂, H₂MoO₅, and the nitride phases—cubic γ (nominally Mo₂N) and hexagonal δ (nominally MoN). The phase fraction of the δ phase increased with precursor in the sequence MoO₂ > MoO₃ > H₂MoO₅. Steam in the reaction gas also favored the production of δ over γ, but with too much steam, MoO₂ was obtained in the product. Synthesis conditions for obtaining nearly phase-pure δ were identified: MoO₂ as the precursor, 2% H₂O in the gas stream, and a moderate heating rate (3 °C/min). In situ X-ray diffraction provided insights into the reaction pathway. Extensive physico-chemical analysis of the δ phase, including synchrotron X-ray and neutron diffraction, electron microscopy, thermogravimetric analysis, X-ray photoelectron spectroscopy, and prompt gamma activation analysis, revealed its stoichiometry to be MoO_0.108(8)N_0.892(8)H_0.012(5), indicating non-trivial oxygen incorporation. The presence of N/O ordering and an impurity phase Mo₅N₆ were also revealed, detectable only by neutron diffraction. Notably, a computationally predicted MoON phase (doi: 10.1103/PhysRevLett.123.236402), of interest due to its potential to display a metal-insulator transition, did not appear under any reaction condition examined. Full article

Boron neutron capture therapy (BNCT) is a specialized cancer treatment that leverages the high absorption cross-section of boron for thermal neutrons. When boron captures neutrons, it undergoes a nuclear reaction that produces alpha particles and lithium ions, which have high linear energy transfer (LET) and can effectively damage nearby cancer cells while minimizing harm to surrounding healthy tissues. This targeted approach makes BNCT particularly advantageous for treating tumors situated in sensitive areas where traditional radiation therapies may pose risks to critical structures. In this study, the deuterium–deuterium (DD) neutron generator, specifically the DD-110 model (neutron yield Y = 1 × 10¹⁰ n/s), served as the neutron source for BNCT. The fast neutrons produced by this generator were thermalized to the epithermal energy range using a beam-shaping assembly (BSA). The BSA was designed with a moderator composed of 32 cm of MgF₂, a reflector made of 76 cm of Pb, and filters including 3 cm of Pb and 1.52 cm of Bi. A collimator, featuring a 10 cm high Pb cone frustum with a 12 cm aperture diameter, was also employed to optimize beam characteristics. The entire system’s performance was modeled and simulated using the MCNPX code, focusing on parameters both in-air and in-phantom to evaluate its efficacy. The findings indicated that the BSA configuration yielded an optimal thermal-to-epithermal flux ratio (${\phi }_{ther}$/${\phi }_{epth}$) of 0.19, a current-to-flux ratio of 0.87, and a gamma dose-to-epithermal flux ratio of 1.71 × 10⁻¹³ Gy/cm², all aligning with IAEA recommendations. The simulated system showed acceptable ratios for ${\phi }_{ther}$/${\phi }_{epth}$, gamma dose to epithermal flux, and beam collimation. Notably, the advantage depth was recorded at 5.5 cm, with an advantage ratio of 2.29 and an advantage depth dose rate of 4.1 × 10⁻⁴ Gy.Eq/min. The epithermal neutron flux of D110 exceeded D109, but D110’s fast neutron contamination increased ~6.6 times. On the other hand, D110’s gamma contamination decreased by 30%. Based on these findings, optimizing neutron source characteristics is crucial for BNCT efficacy. Future research should focus on developing advanced neutron generators that balance these factors, aiming to produce optimal neutron yields for enhanced treatment outcomes and broader applicability. Full article

An experimental study was conducted on the feasibility of using frozen beads with the properties of Rupert’s drops—solid frozen beads with enhanced strength made from a mixture of aromatic hydrocarbons—in cryogenic neutron moderators utilizing bead technology. It is demonstrated that the use of a new modification of the dosing device with a high discharge rate (approximately 6 units/s) significantly improves process efficiency. With standard pneumatic transport parameters maintained, it was possible to load solid frozen beads made from a mixture of mesitylene and meta-xylene into the cryogenic moderator chamber. The loading speed increased five-fold, while the beads remained intact during pneumatic transport. Full article

Accurate, real-time, and multi-scale soil water content (SWC) monitoring is crucial for understanding terrestrial energy, water, and nutrient cycles. This study assesses the potential of a portable cosmic-ray neutron sensor (CRNS) backpack for measuring SWC in a Mediterranean mountain agroforestry system. Seven field surveys were conducted in northern Spain, covering nine control points under woodland and cropland. CRNS data were compared with in situ SWC measurements from an SM-200 field probe and the NDMI index derived from Sentinel-2 imagery. The results show that the CRNS backpack effectively captures spatial and temporal SWC variations. The CRNS method demonstrated advantages over point-scale sensors by providing integrated measurements at an intermediate scale, while Sentinel-2 data offered valuable insights into moisture variability through vegetation response. The moderate correlations observed among the three methods highlight the complementarity of these approaches for soil moisture monitoring in heterogeneous landscapes. This work underscores the potential of mobile CRNS sensor as a practical tool for field-scale SWC assessment in Mediterranean mountain agroforestry systems, offering new opportunities for cropland and water management in similar landscapes. Full article

Mesoporous silica sieves have been prepared through sol–gel synthesis using diester gemini surfactants as pore templates, aiming to obtain new materials with potential use for water remediation. A series of mesoporous spherical silica particles of submicron size have been prepared in an alkali-catalyzed reaction, using a tetraethyl orthosilicate precursor and bis-quaternary ammonium gemini surfactants with diester spacers of varied lengths as pore-forming agents. The effect of the spacer length on the particle morphology was studied using nitrogen porosimetry, small-angle X-ray scattering (SAXS), ultra-small-angle neutron scattering, scanning, and transmission electron microscopy (SEM, TEM). The results revealed that for all spacer lengths, a long-range hexagonal pore ordering developed in the materials. The silica particles were nearly spherical, with sizes below 1 micrometer, and a weak dependence of the mean particle size on the spacer length could be observed. The template removal procedure had a strong influence on the porosity: calcination caused a moderate shrinkage of the pores while retaining the hexagonal structure, whereas treatment with acidified ethanol resulted in only partial removal of the surfactants; however, the hexagonal structure was severely destroyed. The applicability of the obtained calcined materials as adsorbents for heavy metal ions from water was studied with the example of Pb(II). A high sorption capacity of 110 mg/g was obtained in batch experiments, at pH 5 and 4 h contact time. Full article

A novel concept of cold neutron source employing chessboard or staircase assemblies of high-aspect-ratio rectangular para-hydrogen moderators with well-developed and practically fully illuminated surfaces of the individual moderators is proposed. An analytic approach for calculating the brightness of para-hydrogen moderators is introduced. Because the brightness gain originates from a near-surface effect resulting from the prevailing single-collision process during thermal-to-cold neutron conversion, high-aspect-ratio rectangular cold moderators offer a significant increase, up to a factor of 10, in cold neutron brightness compared to a voluminous moderator. The obtained results are in excellent agreement with MCNP calculations. The chessboard or staircase assemblies of such moderators facilitate the generation of wide neutron beams with simultaneously higher brightness and intensity compared to a para-hydrogen-based cold neutron source made of a single moderator (either flat or voluminous) of the same cross-section. Analytic model calculations indicate that gains of up to approximately 2.5 in both brightness and intensity can be achieved compared to a source made of a single moderator of the same width. However, these gains are affected by details of the moderator–reflector assembly and should be estimated through dedicated Monte Carlo simulations, which can only be conducted for a particular neutron source and are beyond the scope of this general study. The gain reduction in our study, from a higher value to 2.5, is mostly caused by these two factors: the limited volume of the high-density thermal neutron region surrounding the reactor core or spallation target, which restricts the total length of the moderator assembly, and the finite width of moderator walls. The relatively large length of moderator assemblies results in a significant increase in pulse duration at short pulse neutron sources, making their straightforward use very problematic, though some applications are not excluded. The concept of “low-dimensionality” in moderators is explored, demonstrating that achieving a substantial increase in brightness necessitates moderators to be low-dimensional both geometrically, implying a high aspect ratio, and physically, requiring the moderator’s smallest dimension to be smaller than the characteristic scale of moderator medium (about the mean free path for thermal neutrons). This explains why additional compression of the moderator along the longest direction, effectively giving it a tube-like shape, does not result in a significant brightness increase comparable to the flattening of the moderator. Full article

Intense sources of very cold neutrons (VCNs) would be beneficial for various neutron scattering techniques and low-energy particle physics experiments. Binary clathrate hydrates hosting deuterated tetrahydrofuran (THF-d) and dioxygen show promise as potential moderators for such sources due to a rich spectrum of localized low-energy excitations of the encaged guest molecules. In this article, we present a reliable manufacturing technique for such hydrates. Neutron diffraction data confirm their clathrate structure as type II (CS-II), determine their purity, and cage occupancy. Furthermore, we present data on the thermal expansivity of THF-d– and THF-d–O₂clathrates, drawing attention to them as an interesting case study for the complex structure and dynamics of this class of material. Full article

Beryllium metal is used as neutron moderator and reflector or multiplier in certain types of fission or fusion reactors. Dismantling of these reactors will produce radioactive beryllium waste, classified as low- or intermediate-level waste, that will need to be stabilised and solidified before being sent to disposal. The cementation process is under consideration because it may offer a good compromise between simplicity of implementation, cost, and quality of the final cemented wasteform. Nevertheless, knowledge of the corrosion behaviour of Be metal in a cement-based matrix is still limited, partly due to the high toxicity of Be that complicates testing. This study thus investigates Be corrosion in cement suspensions using potentiometry, voltammetry, and electrochemical impedance spectroscopy. Among the five different investigated systems (Portland cement blended without or with 40 wt.% silica fume, calcium sulfoaluminate clinker blended without or with 15% anhydrite, and calcium aluminate cement), Portland cement blended with 40% silica fume and calcium sulfoaluminate cement comprising 15% anhydrite are the most effective in mitigating beryllium corrosion. They allow reduction in the corrosion current by factors of 4 and 50, respectively, as compared to Portland cement. Full article

The ultra-cold neutron (UCN) source being commissioned at North Carolina State University’s PULSTAR reactor is uniquely optimized for UCN production in the former graphite-filled thermal column outside of the reactor pool. The source utilizes a remote moderation design, which is particularly well suited to the PULSTAR reactor because of its high thermal and epithermal neutron leakage from the core face. This large non-equilibrium flux from the core is efficiently transported to the UCN source through the specially designed beam port in order to optimize UCN production at any given reactor power. The increased distance to the source from the core also greatly limits the heat load on the cryogenic system. A MCNP (Monte Carlo N-Particle) model of this system was developed and is in good agreement with gold foil activation measurements using a test configuration as well as with the real UCN source’s heavy water moderator. These results established a firm baseline for estimates of the cold neutron flux available for UCN production and prove that remote moderation in a thermal column port is a valuable option for future designs of cryogenic UCN sources. Full article

Zirconium hydride is commonly used for next-generation reactor designs due to its excellent hydrogen retention capacity at temperatures below 1000 K. These types of reactors operate at thermal neutron energies and require accurate representation of thermal scattering laws (TSLs) to optimize moderator performance and evaluate the safety indicators for reactor design. In this work, we present an atomic-scale representation of sub-stoichiometric ZrH_2−x$(0.3\le x\le 0.6)$, which relies on ab initio molecular dynamics (AIMD) in tandem with velocity auto-correlation (VAC) analysis to generate phonon density of states (DOS) for TSL development. The novel NJOY+NCrystal tool, developed by the European Spallation Source community, was utilized to generate the TSL formulations in the A Compact ENDF (ACE) format for its utility in neutron transport software. First, stoichiometric zirconium hydride cross sections were benchmarked with experiments. Then sub-stoichiometric zirconium hydride TSLs were developed. Significant deviations were observed between the new $\delta$-phase ZrH_2−x TSLs and the TSLs in the current ENDF release. It was also observed that varying the hydrogen vacancy defect concentration and sites did not cause as significant a change in the TSLs (e.g., ZrH_1.4 vs. ZrH_1.7) as was caused by the lattice transformation from $ϵ$- to $\delta$-phase. Full article

Monitoring soil water content (SWC) is vital for various applications, particularly in agriculture. This study compares SWC estimated by means of SCATSAR-SWI remote sensing (RS) at different depths (T-values) with Cosmic Ray Neutron Sensing (CRNS) across four agricultural sites in northern Italy. Additionally, it examines the spatial mismatch and representativeness of SWC products’ footprints based on different factors within the following areas: the Normalized Difference Vegetation Index (NDVI), soil properties (sand, silt, clay, Soil Organic Carbon (SOC)), and irrigation information. The results reveal that RS-derived SWC, particularly at T = 2 depth, exhibits moderate positive linear correlation (mean Pearson correlation coefficient, R = 0.6) and a mean unbiased Root–Mean–Square Difference (ubRMSD) of 14.90%SR. However, lower agreement is observed during summer and autumn, attributed to factors such as high biomass growth. Sites with less variation in vegetation and soil properties within RS pixels rank better in comparing SWC products. Although a weak correlation (mean R = 0.35) exists between median NDVI differences of footprints and disparities in SWC product performance metrics, the influence of vegetation greenness on the results is clearly identified. Additionally, RS pixels with a lower percentage of sand and SOC and silt loam soil type correlate to decreased agreement between SWC products. Finally, localized irrigation practices also partially explain some differences in the SWC products. Overall, the results highlight how RS pixel variability of the different factors can explain differences between SWC products and how this information should be considered when selecting optimal ground-based measurement locations for remote sensing comparison. Full article

The present work deals with the modeling of the response to neutrons of heteronuclear diatomic liquids, with special interest in the case of hydrogen deuteride (HD), as a possible candidate for the moderation process required in the production of cold neutrons. Preliminary evaluations of the model giving the neutron double differential cross section of a heteronuclear vibrating rotor were performed in the recent past by using, as a first approximation, the ideal gas law for the center-of-mass translational dynamics. Here, the state-of-the-art methodology (based on the use of quantum simulations of the velocity autocorrelation function) for predicting the neutron response of moderately quantum fluids (like molecular hydrogen and deuterium at low temperatures) is applied to the heteronuclear form of this molecular liquid. The unavailability of the double differential cross section experimental data on liquid HD still compels us to test the calculations only at an integral level, i.e., against the only available measurements of the total neutron cross section of HD. Despite the well-tested and parameter-free computational approach, which includes proper consideration of the quantum effects, the present findings on HD indicate the evident need for more accurate measurements of its total cross section in extended ranges of incident energy, as well as of an experimental determination of the double differential cross section of this mild quantum liquid. For further applicative purposes, a very useful by-product of this study is the determination of the self diffusion coefficient D of the HD in the liquid phase. Full article