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At least 37 records · Page 2

Physics-informed neural network with transfer learning (TL-PINN) based on domain similarity measure for prediction of nuclear reactor transients

Nuclear reactor safety and efficiency can be enhanced through the development of accurate and fast methods for prediction of reactor transient (RT) states. Physics informed neural networks (PINNs) leverage deep learning methods to provide an alternative approach to RT modeling. Applications of PINNs in monitoring of RTs for operator support requires near real-time model performance. However, as with all machine learning models, development of a PINN involves time-consuming model training. Here, we show that a transfer learning (TL-PINN) approach achieves significant performance gain, as measured by reduction of the number of iterations for model training. Using point kinetic equations (PKEs) model with six neutron precursor groups, constructed with experimental parameters of the Purdue University Reactor One (PUR-1) research reactor, we generated different RTs with experimentally relevant range of variables. The RTs were characterized using Hausdorff and Fréchet distance. We have demonstrated that pre-training TL-PINN on one RT results in up to two orders of magnitude acceleration in prediction of a different RT. The mean error for conventional PINN and TL-PINN models prediction of neutron densities is smaller than 1%. We have developed a correlation between TL-PINN performance acceleration and similarity measure of RTs, which can be used as a guide for application of TL-PINNs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Materials Data on Tl(FeSe)2 by Materials Project

Tl(FeSe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Fe is bonded in a 4-coordinate geometry to four equivalent Se atoms. All Fe–Se bond lengths are 2.48 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Se atoms. All Tl–Se bond lengths are 3.42 Å. Se is bonded in a 4-coordinate geometry to four equivalent Fe and four equivalent Tl atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tl(C2O5)2 by Materials Project

TlO2(CO2)4 is Cyanogen Chloride-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight carbon dioxide molecules and two TlO2 clusters. In each TlO2 cluster, Tl is bonded in a 1-coordinate geometry to two O atoms. There are one shorter (2.43 Å) and one longer (2.52 Å) Tl–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Tl and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a distorted L-shaped geometry to one Tl and one O atom.

36 MATERIALS SCIENCE↗

Materials Data on Tl(MoSe)3 by Materials Project

Tl(MoSe)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Mo is bonded in a distorted see-saw-like geometry to six equivalent Mo and four equivalent Se atoms. There are two shorter (2.67 Å) and four longer (2.73 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.63–2.71 Å. Tl is bonded in a trigonal planar geometry to three equivalent Se atoms. All Tl–Se bond lengths are 3.15 Å. Se is bonded in a 5-coordinate geometry to four equivalent Mo and one Tl atom.

36 MATERIALS SCIENCE↗

Serrated flow in $\mathrm{NaI:Tl}$ scintillator crystals

We report the serrated-flow behavior is an important phenomenon that unveils material-deformation mechanisms, as reported for various kinds of materials. NaI doped with Tl (NaI:Tl) is unique among scintillation materials in that the structure contains glide planes that are linked to serration behavior. In the present work, single crystals of NaI:Tl were subjected to room-temperature compression experiments at different strain rates. The serrated flow was observed, and complexity and multifractal analyses were performed to analyze the serration behavior. The findings revealed that the strain rate had a pronounced effect on the complexity and multifractality of the serrated flow, similar to what has been found in other alloy systems. The results also indicate that there may be a strong link between the complexity of the serrated flow behavior and the heterogeneity of the underlying dynamics. It is expected that the present work could be a step toward a better understanding of the deformation behavior and forgeability of NaI:Tl single crystals.

36 MATERIALS SCIENCE↗

γ-ray measurements in fast-neutron-induced reactions on 203 Tl

Fast-neutron-induced reactions can be used to characterize reaction mechanisms, investigate nuclear structure, and impose constraints on nuclear models. Because of the difficulty in predicting such effects, experimental data are important to constrain models. Thallium isotopes located close to the doubly magic Pb 208 nucleus are important for comparison with shell-model calculations. Study the population of excited states in Tl 203 and lighter isotopes in such reactions. Our methods are as follows. γ -ray cross sections were measured. The data were taken by using the Germanium Array for Neutron-Induced Excitations spectrometer. The pulsed neutron source of the Los Alamos Neutron Science Center's Weapons Neutron Research facility provided neutrons in the energy range from 1 to 300 MeV. The time-of-flight technique was used to determine the incident neutron energies. Cross sections for emission of several γ rays in 20 reaction channels were determined. Candidates for the intruder 9 / 2 - state in Tl 203 , from the odd proton in the h 9 / 2 orbital, and the first 5 + states in Tl 202 , 204 , from admixture of configurations, were identified. The excitation energy of the candidate 9 / 2 - , π h 9 / 2 state is in good agreement with the theoretical prediction from a semi-empirical weak-coupling model and its half-life is in the range of tens of nanoseconds. The feeding of a previously known isomer in Tl 202 exhibits similarities with the feeding of other isomers in this mass region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Materials Data on Tl(IO3)3 by Materials Project

Tl(IO3)3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Tl(IO3)3 sheets oriented in the (0, 0, 1) direction. Tl3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.28 Å) and three longer (2.29 Å) Tl–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl3+ and one I5+ atom. The O–I bond length is 1.84 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.84 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Tl3+ and one I5+ atom. The O–I bond length is 1.86 Å. I5+ is bonded in a 4-coordinate geometry to three O2- atoms.

36 MATERIALS SCIENCE↗

Crystal growth, density functional theory, and scintillation properties of Tl 3 LnCl 6 :Ce 3+ and TlLn 2 Cl 7 :Ce 3+ (Ln = Y, Gd)

In this paper we report on the crystal growth, density functional theory (DFT) calculations and scintillation properties of Tl 3 LnCl 6 :Ce and TlLn 2 Cl 7 :Ce(Ln = Y, Gd). Crystals were grown by the Vertical Bridgman technique up to 16 mm in diameter and 25 mm long. Crystals of Tl 3 YCl 6 :Ce and Tl 3 GdCl 6 :Ce belong to the family of the Nesohalides which have the monoclinic crystal structure. Crystals of TlY 2 Cl 7 :Ce and TlGd 2 Cl 7 :Ce belong to the family of the Phyllohalides which have either the monoclinic or the orthorhombic crystal structure. We report the light yields of these Nesohalides and Phyllohalides are typically on the order of 35,000–40,000 ph/MeV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High-temperature 205 Tl decay clarifies 205 Pb dating in early Solar System

Radioactive nuclei with lifetimes on the order of millions of years can reveal the formation history of the Sun and active nucleosynthesis occurring at the time and place of its birth. Among such nuclei whose decay signatures are found in the oldest meteorites, 205 Pb is a powerful example, as it is produced exclusively by slow neutron captures (the s process), with most being synthesized in asymptotic giant branch (AGB) stars. However, making accurate abundance predictions for 205 Pb has so far been impossible because the weak decay rates of 205 Pb and 205 Tl are very uncertain at stellar temperatures. To constrain these decay rates, we measured for the first time the bound-state β - decay of fully ionized 205 Tl 81+ , an exotic decay mode that only occurs in highly charged ions. The measured half-life is 4.7 times longer than the previous theoretical estimate and our 10% experimental uncertainty has eliminated the main nuclear-physics limitation. With new, experimentally backed decay rates, we used AGB stellar models to calculate 205 Pb yields. Propagating those yields with basic galactic chemical evolution (GCE) and comparing with the 205 Pb/ 204 Pb ratio from meteorites, we determined the isolation time of solar material inside its parent molecular cloud. We find positive isolation times that are consistent with the other s-process short-lived radioactive nuclei found in the early Solar System. Our results reaffirm the site of the Sun’s birth as a long-lived, giant molecular cloud and support the use of the 205 Pb– 205 Tl decay system as a chronometer in the early Solar System.

79 ASTRONOMY AND ASTROPHYSICS↗

Metastable states from multinucleon excitations in 202 Tl and 203 Pb

The excited level structures of 202 Tl and 203 Pb, above the 7 + and 29/2 – isomers, respectively, have been studied. An isomer with I π = 20 + and T 1/2 = 215(10) μs has been established in 202 Tl, and the level scheme extended from I = 10 to 20ℏ with the placement of fifteen new transitions. In 203 Pb, the I π = 37/2 + state is established to be metastable, with T 1/2 = 2.5(3) ns. Levels in both nuclei arise from intrinsic excitations, with likely particle-hole character for the higher-lying states in 203 Pb. The 20 + isomer in 202 Tl is most likely associated with a $πh$ $^{–1}_{11/2}$ Ⓧ ν($i$ $^{–2}_{13/2}$, $f$ $^{–1}_{5/2}$) configuration, while the 37/2 + state in 203 Pb results from the excitation of five neutrons. Furthermore, calculations, using both an empirical approach and the oxbash code, have been performed to aid in the description of the excited level structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Successive neutron alignments in the yrast, negative-parity band of oblate-deformed Tl 199

The negative-parity band structure built on the proton h 9/2 state in 199 Tl has been established up to an excitation energy of 7 MeV and spin of (51/2) ℏ. The level scheme has been extended with the inclusion of fourteen new transitions de-exciting levels at high spin. The ΔI = 1 γ rays are found to be more prominently visible in the spectra when comparing to Δ I = 2 transitions. Rotation alignments are evident at frequencies of 0.22 and 0.30 MeV with both being attributed to the breaking of pairs of neutrons in the i 13/2 subshell. Since 199 Tl is expected to have weak oblate deformation, and lies in a transitional region where competing contributions to the spin are expected from collective rotation and the angular momentum of high-j nucleons, calculations using both the principal axis cranking (PAC) and tilted axis cranking (TAC) formalisms have been performed to understand its structure. Both the PAC and TAC calculations are found to provide a satisfactory description of the evolution of excitation energies with spin. The PAC calculations give a good account of the experimental crossing frequencies and associated spins. Furthermore, the structure of the yrast, negative-parity band in 199 Tl may be primarily understood in terms of the collective rotation of a moderately deformed oblate nucleus, along with contributions to the angular momentum from two pairs of rotation-aligned i 13/2 neutrons.

190 ≤ A ≤ 219↗

Measurement of the sodium and iodine scintillation quenching factors across multiple NaI(Tl) detectors to identify systematics

The amount of light produced by nuclear recoils in scintillating targets is strongly quenched compared to that produced by electrons. A precise understanding of the quenching factor is particularly interesting for weakly interacting massive particles (WIMP) searches and coherent elastic neutrino-nucleus scattering ( CE ν NS ) measurements since both rely on nuclear recoils, whereas energy calibrations are more readily accessible from electron recoils. There is a wide variation among the current measurements of the quenching factor in sodium iodide (NaI) crystals, especially below 10 keV, the energy region of interest for dark matter and CE ν NS studies. A better understanding of the quenching factor in NaI(Tl) is of particular interest for resolving the decades-old puzzle in the field of dark matter between the null results of most WIMP searches and the claim for dark matter detection by the DAMA/LIBRA collaboration. In this work, we measured sodium and iodine quenching factors for five small NaI(Tl) crystals grown with similar thallium concentrations and growth procedures. Unlike previous experiments, multiple crystals were tested, with measurements made in the same experimental setup to control systematic effects. The quenching factors agree in all crystals we investigated, and both sodium and iodine quenching factors are smaller than those reported by DAMA/LIBRA. The dominant systematic effect was due to the electron equivalent energy calibration originating from the nonproportional behavior of the NaI(Tl) light yield at lower energies, potentially the cause for the discrepancies among the previous measurements. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Production and suppression of delayed light in NaI(Tl) scintillators

Here we investigate a hypothesis that energy accumulation and the subsequent release in NaI(Tl) may lead to pulselike events in the few-keV energy regime, a phenomenon suggested by the crystal manufacturing company Saint-Gobain, who provided the crystals for DAMA/LIBRA. While we observed delayed long-lasting (days) light emission in a 3-inch NaI(Tl) crystal after exposing it to UV light, the delayed light consists primarily of single photons that are uncorrelated with each other. We also observe delayed light emission in NaI(Tl) following gamma radiation and large ionization events like cosmic-ray muons. We found that irradiating the crystal with red light after UV exposure significantly suppressed delayed photon emissions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Materials Data on Tl(CuO)2 by Materials Project

Tl(CuO)2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.98 Å. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.83 Å. Tl1+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both Tl–O bond lengths are 2.48 Å. O2- is bonded in a 4-coordinate geometry to three Cu+1.50+ and one Tl1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Tl(WO3)6 by Materials Project

Tl(WO3)6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. W+5.83+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and edges with two equivalent TlO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–29°. There is four shorter (1.93 Å) and two longer (1.96 Å) W–O bond length. Tl1+ is bonded to twelve equivalent O2- atoms to form TlO12 cuboctahedra that share edges with twelve equivalent WO6 octahedra. All Tl–O bond lengths are 3.37 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W+5.83+ and one Tl1+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W+5.83+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Tl(CO)2 by Materials Project

CTlCO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is two-dimensional and consists of four ethyne molecules and two TlCO2 sheets oriented in the (0, 0, 1) direction. In each TlCO2 sheet, there are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.67–2.84 Å. In the second Tl3+ site, Tl3+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.80–3.09 Å. There are two inequivalent C+0.50+ sites. In the first C+0.50+ site, C+0.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. In the second C+0.50+ site, C+0.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tl3+ and one C+0.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Tl3+ and one C+0.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Tl3+ and one C+0.50+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Tl3+ and one C+0.50+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Tl(Mo3Se4)2 by Materials Project

Tl(Mo3Se4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.50+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.81 Å. Tl1+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (3.05 Å) and six longer (3.35 Å) Tl–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 10-coordinate geometry to three equivalent Mo+2.50+ and one Tl1+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.50+ and one Tl1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Tl(V3S4)4 by Materials Project

Tl(V3S4)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent V+2.58+ sites. In the first V+2.58+ site, V+2.58+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There are a spread of V–S bond distances ranging from 2.32–2.52 Å. In the second V+2.58+ site, V+2.58+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 43–54°. There are a spread of V–S bond distances ranging from 2.31–2.54 Å. In the third V+2.58+ site, V+2.58+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of V–S bond distances ranging from 2.32–2.55 Å. In the fourth V+2.58+ site, V+2.58+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of V–S bond distances ranging from 2.33–2.51 Å. In the fifth V+2.58+ site, V+2.58+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 43–53°. There are a spread of V–S bond distances ranging from 2.33–2.51 Å. In the sixth V+2.58+ site, V+2.58+ is bonded to six S2- atoms to form a mixture of face, edge, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of V–S bond distances ranging from 2.31–2.55 Å. Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are two shorter (3.08 Å) and four longer (3.09 Å) Tl–S bond lengths. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded to six V+2.58+ atoms to form distorted face-sharing SV6 pentagonal pyramids. In the second S2- site, S2- is bonded to six V+2.58+ atoms to form distorted face-sharing SV6 pentagonal pyramids. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four V+2.58+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four V+2.58+ and one Tl1+ atom. In the fifth S2- site, S2- is bonded in a 5-coordinate geometry to four V+2.58+ and one Tl1+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four V+2.58+ atoms. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four V+2.58+ atoms. In the eighth S2- site, S2- is bonded in a 5-coordinate geometry to four V+2.58+ and one Tl1+ atom.

36 MATERIALS SCIENCE↗