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The measured and evaluated excitation functions are fundamental quantities that affect the accuracy of all calculations in nuclear applications. Some cross sections, such as 14N(n,p)14C, have added value for special applications, as these reactions may be responsible for possible contamination in industrial processes such as spent fuel reprocessing. For the validation of the evaluated cross sections, we can rely on the comparison of the calculated spectrum averaged cross sections (SACS) for the given neutron spectrum with the measured SACS value. The benchmark reference neutron field has been identified, characterized, and well validated in the LR-0 special core. A very large set of SACS measurements in the LR0 reference field is measured with low uncertainty, making it an excellent set for deconvolution codes validation. The impact of the gamma-induced reaction on the production yield of neutron-induced reactions was investigated for most of the benchmarked reactions. Gamma competition was found to contribute at most 1% for the 197Au(n,2n) reaction, while being substantially lower for other target isotopes and neutron-induced activation reactions.

Blockchain is a technology that is often used to share data and assets. However, in the decentralized ecosystem, blockchain-based systems can be utilized to share information and assets without the traditional barriers associated with solo responsibility, e.g., multi-sig wallets. This paper describes an innovative approach to blockchain networks based on a non-fungible token that behaves as an account (NFTAA). The key novelty of this article is using NFTAA to leverage the unique properties of NFTs to manage your ownership better and effectively isolate them to improve the security, transparency, and even interoperability possibilities. Additionally, the account-based solution gives us the ability and flexibility to cover regular use cases such as staking and liquid equities, but also practical composability. This article offers a simple implementation, which allows developers and researchers to choose the best solution for their needs in demand of abstract representation in any use case., Comment: To be presented at IEEE International Conference on Blockchain and Cryptocurrency (ICBC) 2024

The Fusion Evaluated Nuclear Data Library (FENDL) is a comprehensive and validated collection of nuclear cross section data coordinated by the International Atomic Energy Agency (IAEA) Nuclear Data Section (NDS). FENDL assembles the best nuclear data for fusion applications selected from available nuclear data libraries and has been under development for decades. FENDL contains sub-libraries for incident neutron, proton, and deuteron cross sections including general purpose and activation files used for particle transport and nuclide inventory calculations. We describe the history, selection of evaluations for the various sub-libraries (neutron, proton, deuteron) with the focus on transport and reactor dosimetry applications, the processing of the nuclear data for application codes, and the development of the TENDL-2017 library which is the currently recommended activation library for FENDL. We briefly describe the IAEA IRDFF library as the recommended library for dosimetry fusion applications. We also present work on validation of the neutron sub-library using a variety of fusion relevant computational and experimental benchmarks. A variety of cross section libraries are used for the validation work including FENDL-2.1, FENDL-3.1d, FENDL-3.2, ENDF/B-VIII.0, and JEFF-3.2 with the emphasis on the FENDL libraries. The results of the experimental validation showed that the performance of FENDL-3.2b is at least as good and in most cases better than FENDL-2.1. Future work will consider improved evaluations developed by the International Nuclear Data Evaluation Network (INDEN). Additional work will be needed to investigate differences in gas production in structural materials. Covariance matrices need to be updated to support the development of fusion technology. Additional validation work for high-energy neutrons, protons and deuterons, and the activation library will be needed., Comment: 81 pages, 114 figures

The inclusion of electronic polarization is of crucial importance in molecular simulations of systems containing charged moieties. When neglected, as often done in force field simulations, charge-charge interactions in solution may become severely overestimated leading to unrealistically strong bindings of ions to biomolecules. The electronic continuum correction introduces electronic polarization in a mean-field way via scaling of charges by the reciprocal of the square root of the high-frequency dielectric constant of the solvent environment. Here, we use ab initio molecular dynamics simulations to quantify the effect of electronic polarization on pairs of like-charged ions in a model non-aqueous environment where electronic polarization is the only dielectric response. Our findings confirm the conceptual validity of the present approach, underlining its applicability to complex aqueous biomolecular systems. Simultaneously, the present results justify the potential employment of weaker charge scaling factors in force field development., Comment: main text: 7 pages, 4 figures; supporting information: 6 pages, 5 figures, 3 tables

Graphite is important reactor material used as a neutron moderator in various reactor designs. It is not only structural material used in previous reactors design but even material to which attention is focused due to the very high-temperature reactor design, which uses graphite as moderator and reflector. Due to the well-characterised cross-section of graphite, it is also a good candidate for neutron shaping experiments. In this kind of experiment, the neutron spectra are modified to the unconventional shape of neutron spectra which can be used to validate cross-section. This paper deals with validation of neutron field in graphite block surrounded by driver core arranged in large special core in LR-0 reactor. The experimentally determined shape of neutron spectra and spatial distribution of neutron flux is compared with the calculation. It is worth noting that the agreement for flux distribution is satisfactory in regions below the moderator level.

The integral experiments covering the neutron leakage from geometrically simple assemblies with a 252Cf source inside are very valuable tools usable in validation of transport cross section data, since geometric uncertainties play a much smaller role in simple geometric assemblies than in complex assemblies as for example reactor pressure vessel geometry. Since 252Cf(s.f.) is standard neutron source, the uncertainties connected with the source neutron spectrum can be even neglected. The paper refers on validation efforts of neutron leakage from stainless steel block ~50 x 50 x50 cm in Research Center Rez. Both the neutron leakage flux at a distance of 1 m from the center of the cubical assembly using stilbene spectrometry and the activation rates at different positions of the assembly were evaluated. In addition to experiments, main sources of uncertainty were identified and evaluated. The results of the stilbene measurements are consistent with the activation measurements results.

Dosimetry cross sections are fundamental quantities essential in determination of neutron fluences in points of interest in technologies under heavy radiation load. The most common is their application to Reactor Pressure Vessel aging management, relating to correct estimation of its residual lifetime. The neutron spectrum in various reactor positions has a similar character as the fission spectrum. Due to this fact, the validation of the neutron dosimetry cross sections in reactor fields, or in a very well-known neutron field of 252Cf(s.f.) is sufficient for ensuring their validity in estimations of neutron fluxes in reactor physics. With an increasing field of applications, as in neutron dosimetry in accelerator-based fields or space applications, requests occurred on detailed validation in spectra different from fission ones. This paper presents the testing of a new methodology for the use of quasi monoenergetic neutron fields, where different sensitivity allows validations of the cross-section in different energy regions than in the fission spectrum. The exact shape of the neutron spectrum in the tested fields is determined by stilbene spectrometry and corrected to scattering by calculation, where applicable. The total flux is determined from Ni and Al flux monitors. The evaluated neutron flux in the target set of activation foils is used for calculation of theoretical reaction rate, which is compared with the experimental value determined from gamma activity. This kind of comparison can be understood as validation. It is worth noting, this methodology applied to the IRDFF-II library shows satisfactory agreement for selected reactions.

The reactor baffle is an important component of a nuclear reactor that fixes the location of the fuel assembly in the reactor core. The main types of baffles are called light or heavy. The light baffle has mostly the form of steel plates with outer space filled by water, and the heavy baffle is mostly a forged steel element. Both concepts have advantages as well as disadvantages. In the case of the light baffle, one does not need to solve the issue of void swelling, but the neutron economy is not ideal, while the heavy baffle has a good neutron economy, but void swelling is an issue. This paper deals with the effect of the heavy VVER-1000 baffle on criticality. Criticality was measured using a well-defined core composed of 6 fuel assemblies moved to a simulator of the VVER-1000 internals, which is located at the LR-0 reactor. The experiments confirm the fact that the water filling the cooling channels in the baffle has a strong neutron absorbing effect. The keff calculated using the ENDF/B-VIII.0 library significantly underpredicts the experiment, whereas calculations using a new evaluation of 56Fe by the IAEA (INDEN collaboration) give a better agreement. Generally, the presented results are suitable for validation of iron cross sections.

Cross section data are fundamental quantities which affect the accuracy of all calculations in nuclear applications. A new dosimetry library IRDFF-II that contains cross section evaluations with full uncertainty quantification was developed by the International Atomic Energy Agency and released in January 2020 (https://www-nds.iea.org/IRDFF). A previous version, IRDFF-1.05, was released in 2014 and experimental validation of the newly released cross section by spectrum averaged cross section (SACS) measurements is a high priority task. For such purpose, a neutron dosimeter set containing 5 target foils was activated in 2 independent experiments at the VR-1 reactor of the Czech Technical University in Prague. Care was taken to derive SACS with low uncertainties. New experimental evaluation method is in good agreement with previous approaches based on relative measurements using monitor foils. Good agreement of measured SACS and evaluated IRDFF-II cross sections is observed. Slight overestimation of evaluated ENDF/B-VIII.0 235U(nth,f) PFNS above 10 MeV is discussed.

The cross section averaged over 235U thermal-neutron induced fission spectrum is a fundamental quantity that can be used in evaluation and validation of nuclear data. Many experiments focused on the determination of Spectrum Averaged Cross Sections (SACS) in 235U(nth,f). Prompt Fission Neutron Spectrum (PFNS) in light water reactors using enriched uranium fuel. In these reactors, there is already some amount of water moderator between the uranium fuel and the irradiated sample. Due to the decrease of hydrogen cross-section with neutron energy, the high energy tail of the reactor spectrum in cores with water moderator may be harder than the pure PFNS. This paper aims to compare the shape of the actual reactor spectrum in various core positions of a research light-water reactor differing each from other by the effective water thickness. The spectrum shape is determined both by calculations and experimentally using various high energy threshold reactions. The impact of the photo-nuclear reactions ({\gamma},n) competing with (n,2n) in production of the same residual nucleus was shown to be less than a percent for most of studied dosimeters. An important exception was found for 197Au(n,2n) 196Au dosimeter irradiated in the outcore channel where a notable photo-neutron contribution to the production of 196Au is caused by the neutron production from the high energy {\gamma}-rays from thermal-neutron capture in 54Fe. The corresponding ENDF/B-VIII.0 data turned out to underestimate such {\gamma}-yield by 40% in comparison with ENDF/B-VI.8. This has improved but however not resolved the disagreement between our measurement and calculations. The remaining deficiency was attributed to the underestimation of the evaluated cross section IAEA/PD-2019 for the 197Au({\gamma},n) cross section near the reaction threshold. The later was confirmed by comparison with existing measured data.

Dosimetry cross sections are fundamental quantities necessary for neutron dosimetry using the neutron activation method. It is worth noting that the uncertainty in cross sections is the major source of uncertainty in calculational predictions using nuclear data in simulations thus, cross section validation is a key issue in any aims for refinement of any predictions. A small compact neutron generator is a promising tool for performing integral experiments and even for differential experiments. This paper deals with the measurement of the differential dosimetry cross sections using a small compact D-T neutron generator with 14.05 MeV neutron emission (10E8 n/s into 4pi). Achieving measurable activation at such a low flux field is allowed by using a larger amount of activation material placed in close measurement geometry during decay gamma measurement. The experimentally determined cross sections are in good agreement with the cross sections in the IRDFF-II dosimetry library. The comparison with other nuclear data libraries was performed as well. Its worth noting, the mean standard deviation in IRDFF-II library is about 4 %, while in case of other data libraries they are from 5.5 % - 7.5 %. This result can be understood as a validation of IRDFF-II using 14.05 MeV neutrons and also a confirmation of the applicability of small compact generators in the measurement of activation cross sections.

The spectrum averaged cross section (SACS) in standard neutron field is a preferable tool for cross section validation. There are very few measurements involving lutetium neutron cross sections. The presented work uses only neutron standard, i.e., 252Cf(sf) neutron field, for validation of lutetium threshold cross sections. SACS were inferred from gamma spectrometry derived reaction rates. The SACS which were derived include 175Lu(n,2n)174Lu, 175Lu(n,3n)173Lu, 175Lu(n,p)175Yb, and 176Lu(n,n)176m1Lu reactions. All these reactions SACS were measured for the first time. MCNP6 calculations using JEFF-3.3 or ENDF/B-VIII.0 libraries for lutetium cross sections were compared with experimental data. The agreement was found very poor for all reactions under study. Thus there is a need for their improvement. The presented data can be also used for validation of the various theoretical models.

We employed density functional theory-based ab initio molecular dynamics simulations to examine the hydration structure of several common alkali and alkali earth metal cations. We found that the commonly used atom pairwise dispersion correction scheme D3, which assigns dispersion coefficients based on the neutral form of the atom rather than its actual oxidation state, leads to inaccuracies in the hydration structures of these cations. We evaluated this effect for lithium, sodium, potassium, and calcium and found that the inaccuracies are particularly pronounced for sodium and potassium compared to the experiment. To remedy this issue, we propose disabling the D3 correction specifically for all cation-including pairs, which leads to a much better agreement with experimental data., Comment: Main text: 6 pages, 5 figures. Supporting information: 3 pages, 3 figures

Birch reduction is a time-proven way to hydrogenate aromatic hydrocarbons (such as benzene), which relies on the reducing power of electrons released from alkali metals into liquid ammonia. We have succeeded to characterize the key intermediates of the Birch reduction process - the solvated electron and dielectron and the benzene radical anion - using cyclic voltammetry and photoelectron spectroscopy, aided by electronic structure calculations. In this way, we not only quantify the electron binding energies of these species, which are decisive for the mechanism of the reaction but also use Birch reduction as a case study to directly connect the two seemingly unrelated experimental techniques., Comment: after revision

The benzene radical anion, well-known in organic chemistry as the first intermediate in the Birch reduction of benzene in liquid ammonia, exhibits intriguing properties from the point of view of quantum chemistry. Notably, it has the character of a metastable shape resonance in the gas phase, while measurements in solution find it to be experimentally detectable and stable. In this light, our previous calculations performed in bulk liquid ammonia explicitly reveal that solvation leads to stabilization. Here, we focus on the transition of the benzene radical anion from an unstable gas-phase ion to a fully solvated bound species by explicit ionization calculations of the radical anion solvated in molecular clusters of increasing size. The computational cost of the largest systems is mitigated by combining density functional theory with auxiliary methods including effective fragment potentials or approximating the bulk by polarizable continuum models. Using this methodology, we obtain the cluster size dependence of the vertical binding energy of the benzene radical anion converging to the value of $-$2.3 eV at a modest computational cost., Comment: Main text: 9 pages, 6 figures. Supporting information: 3 pages, 3 figures

The benzene radical anion is a molecular ion pertinent to several organic reactions, including the Birch reduction of benzene in liquid ammonia. The species exhibits a dynamic Jahn-Teller effect due to its open-shell nature and undergoes pseudorotation of its geometry. Here we characterize the complex electronic structure of this condensed-phase system based on ab initio molecular dynamics simulations and GW calculations of the benzene radical anion solvated in liquid ammonia. Using detailed analysis of molecular and electronic structure, we find that the spatial character of the excess electron of the solvated radical anion follows the underlying Jahn-Teller distortions of the molecular geometry. We decompose the electronic density of states to isolate the contribution of the solute and to examine the response of the solvent to its presence. Our findings show the correspondence between instantaneous molecular structure and spin density, provide important insights into the electronic stability of the species, revealing that it is indeed a bound state in the condensed phase, and offer electronic densities of states that aid in the interpretation of experimental photoelectron spectra., Comment: main text: 11 pages, 6 figures; supporting information: 5 pages, 10 figures; version updated after review

Strong inhibitory input to neurons, which occurs in balanced states of neural networks, increases synaptic current fluctuations. This has led to the assumption that inhibition contributes to the high spike-firing irregularity observed in vivo. We used single compartment neuronal models with time-correlated (due to synaptic filtering) and state-dependent (due to reversal potentials) input to demonstrate that inhibitory input acts to decrease membrane potential fluctuations, a result that cannot be achieved with simplified neural input models. To clarify the effects on spike-firing regularity, we used models with different spike-firing adaptation mechanisms and observed that the addition of inhibition increased firing regularity in models with dynamic firing thresholds and decreased firing regularity if spike-firing adaptation was implemented through ionic currents or not at all. This novel fluctuation-stabilization mechanism provides a new perspective on the importance of strong inhibitory inputs observed in balanced states of neural networks and highlights the key roles of biologically plausible inputs and specific adaptation mechanisms in neuronal modeling.

High quality nuclear data is the most fundamental underpinning for all neutron metrology applications. This paper describes the release of version II of the International Reactor Dosimetry and Fusion File (IRDFF-II) that contains a consistent set of nuclear data for fission and fusion neutron metrology applications up to 60~MeV neutron energy. The library is intended to support: a) applications in research reactors; b) safety and regulatory applications in the nuclear power generation in commercial fission reactors; and c) material damage studies in support of the research and development of advanced fusion concepts. The paper describes the contents of the library, documents the thorough verification process used in its preparation, and provides an extensive set of validation data gathered from a wide range of neutron benchmark fields. The new \mbox{IRDFF-II} library includes 119 metrology reactions, four cover material reactions to support self-shielding corrections, five metrology metrics used by the dosimetry community, and cumulative fission products yields for seven fission products in three different neutron energy regions. In support of characterizing the measurement of the residual nuclei from the dosimetry reactions and the fission product decay modes, the present document lists the recommended decay data, particle emission energies and probabilities for 68 activation products. It also includes neutron spectral characterization data for 29 neutron benchmark fields for the validation of the library contents. The IRDFF-II library and comprehensive documentation is available online at https://www-nds.iaea.org/IRDFF/. Evaluated cross sections can be compared with experimental data and other evaluations at https://www-nds.iaea.org/exfor/endf.htm. The new library is expected to become the international reference in neutron metrology for multiple applications., Comment: Submitted to Nuclear Data Sheets, 109 pages, figures revised

We consider a linear stochastic differential equation with stochastic drift. We study the problem of approximating the solution of such equation through an Ornstein-Uhlenbeck type process, by using direct methods of calculus of variations. We show that general power cost functionals satisfy the conditions for existence and uniqueness of the approximation. We provide some examples of general interest and we give bounds on the goodness of the corresponding approximations. Finally, we focus on a model of a neuron embedded in a simple network and we study the approximation of its activity, by exploiting the aforementioned results., Comment: 50 pages

We study the optimality conditions of information transfer in systems with memory in the low signal-to-noise ratio regime of vanishing input amplitude. We find that the optimal mutual information is represented by a maximum-variance of the signal time course, with correlation structure determined by the Fisher information matrix. We provide illustration of the method on a simple biologically-inspired model of electro-sensory neuron. Our general results apply also to the study of information transfer in single neurons subject to weak stimulation, with implications to the problem of coding efficiency in biological systems., Comment: 5 pages, 1 figure; published in Physical Review E; this version improves Fig.1

We derive an approximate expression for mutual information in a broad class of discrete-time stationary channels with continuous input, under the constraint of vanishing input amplitude or power. The approximation describes the input by its covariance matrix, while the channel properties are described by the Fisher information matrix. This separation of input and channel properties allows us to analyze the optimality conditions in a convenient way. We show that input correlations in memoryless channels do not affect channel capacity since their effect decreases fast with vanishing input amplitude or power. On the other hand, for channels with memory, properly matching the input covariances to the dependence structure of the noise may lead to almost noiseless information transfer, even for intermediate values of the noise correlations. Since many model systems described in mathematical neuroscience and biophysics operate in the high noise regime and weak-signal conditions, we believe, that the described results are of potential interest also to researchers in these areas., Comment: 11 pages, 4 figures; accepted for publication in Physical Review E