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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Nuclear fragmentation at the future electron-ion collider

We explore the potential of conducting low-energy nuclear physics studies, including nuclear structure and decay, at the future Electron-Ion Collider (EIC) at Brookhaven. By comparing the standard theory of electron-nucleus scattering with the equivalent photon method applied to Ultraperipheral Collisions (UPC) at the Large Hadron Collider (LHC) at CERN. In the limit of extremely high beam energies and small energy transfers, very transparent equations emerge. We apply these equations to analyze nuclear fragmentation in UPCs at the LHC and 𝑒𝐴 scattering at the EIC, demonstrating that the EIC could facilitate unique photonuclear physics studies. Furthermore, we have also shown that the fragmentation cross-sections at the EIC are about 1,000 times smaller than those at the LHC. At the LHC, the fragmentation of uranium nuclei displays characteristic double-hump mass distributions from fission events, while at the EIC, fragmentation is dominated by neutron emission and fewer few fission products, about 10,000 smaller number of events.

Bertulani, Carlos A. [East Texas A&M University, C↗
DOE OSTI2024

Mechanisms of Polyethylene Terephthalate Pellet Fragmentation into Nanoplastics and Assimilable Carbons by Wastewater Comamonas

Comamonadaceae bacteria are enriched on poly(ethylene terephthalate) (PET) microplastics in wastewaters and urban rivers, but the PET-degrading mechanisms remain unclear. Here, we investigated these mechanisms with Comamonas testosteroniKF-1, a wastewater isolate, by combining microscopy, spectroscopy, proteomics, protein modeling, and genetic engineering. Compared to minor dents on PET films, scanning electron microscopy revealed significant fragmentation of PET pellets, resulting in a 3.5-fold increase in the abundance of small nanoparticles (<100 nm) during 30-day cultivation. Infrared spectroscopy captured primarily hydrolytic cleavage in the fragmented pellet particles. Solution analysis further demonstrated double hydrolysis of a PET oligomer, bis(2-hydroxyethyl) terephthalate, to the bioavailable monomer terephthalate. Supplementation with acetate, a common wastewater co-substrate, promoted cell growth and PET fragmentation. Of the multiple hydrolases encoded in the genome, intracellular proteomics detected only one, which was found in both acetate-only and PET-only conditions. Homology modeling of this hydrolase structure illustrated substrate binding analogous to reported PET hydrolases, despite dissimilar sequences. Mutants lacking this hydrolase gene were incapable of PET oligomer hydrolysis and had a 21% decrease in PET fragmentation; re-insertion of the gene restored both functions. Thus, we have identified constitutive production of a key PET-degrading hydrolase in wastewater Comamonas, which could be exploited for plastic bioconversion.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Two Distinct Cu(II)-V(IV) Superexchange Interactions with Similar Bond Angles in a Triangular ?CuV2? Fragment

The strength and sign of superexchange interactions are often predicted on the basis of the bond angles between magnetic ions, but complications may arise in situations with a nontrivial arrangement of the magnetic orbitals. We report on a novel molecular tetramer compound [Cu(H2O)dmbpy]2[V2O2F8] (dmbpy = 4,4 '-dimethyl-2,2 ' bipyridyl) that is composed of triangular "CuV2" fragments and displays a spin gap behavior. By combining first-principles calculations and electronic models, we reveal that superexchange Cu-V interactions carry drastically diHerent coupling strengths along two Cu-F-V pathways with comparable bond angles in the triangular "CuV2" fragment. Counterintuitively, their strong disparity is found to originate from the restricted symmetry of the half-filled Cu dx2-y2 orbital stabilized by the crystal field, leading to one dominating antiferromagnetic Cu-V coupling in each fragment. We revisit the magnetic properties of the reported spin-gapped chain compound [enH2]Cu(H2O)2[V2O2F8] (enH2 = ethylene diammonium) containing similar triangular "CuV2" fragments, and the magnetic behavior of the molecular tetramer and the chain compounds is rationalized as that of weakly coupled spin dimers and spin trimers, respectively. This work demonstrates that fundamentally diHerent magnetic couplings can be observed between magnetic ions with similar bond angles in a single spin motif, thus providing a strategy to introduce various exchange interactions combined with low dimensionality in heterometallic Cu(II)-V(IV) compounds.

Complexes↗
DOE OSTI2023

Efficiency of charge transfer in changing the dissociation dynamics of OD + transients formed after the photo-fragmentation of D 2 O

Here, we present an investigation of the relaxation dynamics of deuterated water molecules after direct photo-double ionization at 61 eV. We focus on the very rare D + + O + + D reaction channel in which the sequential fragmentation mechanisms were found to dominate the dynamics. Aided by theory, the state-selective formation and breakup of the transient OD + (a 1 Δ, b 1 Σ + ) is traced, and the most likely dissociation path—OD + : a 1 Δ or b 1 Σ + → A 3 Π → X 3 Σ – → B 3 Σ – —involving a combination of spin–orbit and non-adiabatic charge transfer transitions is determined. The multi-step transition probability of this complex transition sequence in the intermediate fragment ion is directly evaluated as a function of the energy of the transient OD + above its lowest dissociation limit from the measured ratio of the D + + O + + D and competing D + + D + + O sequential fragmentation channels, which are measured simultaneously. Our coupled-channel time-dependent dynamics calculations reproduce the general trends of these multi-state relative transition rates toward the three-body fragmentation channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Explosive fragmentation of additively manufactured stainless steel

Properties of fragmentation from an explosively driven 316L stainless steel spherical shell section fabricated by a laser powder bed additive manufacturing process with minimal surface finishing are investigated. This shell is driven by an insensitive high explosive, resulting in high strain rate deformation (>8 × 10 3 s –1 ) and failure of the stainless steel. Photonic Doppler velocimetry measures the expansion rate; dynamic radiography and high-speed imaging capture the fracture behavior of the stainless steel. The fracture response of the additively manufactured stainless steel shell is compared to published experimental results on additively manufactured 316L stainless steel and conventionally manufactured wrought 316L and 304 stainless steel shell fragmentation. Despite preferred crack orientation, suggesting the influence of surface grooves on fracture time, fragment size is identical to that measured in a similar experiment on wrought 304 stainless steel. Further analysis indicates that the 316L additively manufactured stainless steel shell exhibits comparable spall strength and fragmentation toughness to conventionally manufactured stainless steel yet lower failure strain due to surface stress concentrations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantum fragmentation in the extended quantum breakdown model

We introduce a one-dimensional (1D) extended quantum breakdown model comprising a fermionic and a spin degree of freedom per site, and featuring a spatially asymmetric breakdown-type interaction between the fermions and spins. Furthermore, our model resembles the breakdown process of particles incident into a cloud chamber with nonzero quantum amplitudes of both exciting and not exciting the local vapor atoms. We analytically show that, in the absence of any magnetic field for the spins, the model exhibits Hilbert space fragmentation within each symmetry sector into exponentially many Krylov subspaces and hence displays nonthermal dynamics. Here, we demonstrate that the fragmentation naturally occurs in an entangled basis and thus provides an example of “quantum fragmentation.” Besides establishing the nature of fragmentation analytically, we also study the long-time behavior of the entanglement entropy and its deviation from the expected Page value as a probe of ergodicity in the system. Upon introducing a magnetic field for the spins, most of the Krylov subspaces merge and the model becomes chaotic. Finally, we study the effects of strong randomness on the system and observe behavior similar to that of many-body localized systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Effects of cluster correlations on fragment emission in 12 C+ 12 C at 50 MeV/nucleon

The effects of cluster correlations have been studied in the 12 C + 12 C reaction at 50 MeV/nucleon, using three AMD models, the AMD (AMD/D) without any additional cluster correlations, AMD/D-COALS with nucleon correlations based on a coalescence prescription for light cluster formations with A ≤ 4 and AMD-Cluster with an extended cluster correlation in two-nucleon collision processes and a special treatment for intermediate fragment formation with A ≤ 9. The angular distributions and energy spectra of fragments have been simulated and compared with the available experimental data. It is found that the cluster correlations take a crucial role to describe the productions of light charged particles (LCPs) and intermediate mass fragments (IMFs), and the AMD-cluster studied here provides a consistent overall reproduction of the experimental data. It is also shown that the significant effects of the secondary decay processes are involved for the fragment production besides the dynamical productions in the AMD stage. Detailed LCP and IMF production mechanisms involved in the intermediate energy heavy ion collisions are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Microscopic description of the torque acting on fission fragments

When two fragments are created in a fission decay, any torque due to nuclear and Coulomb interaction can change the fragment's angular momentum. This paper explores the character and magnitude of the angular momentum as a function of the initial conditions around the scission point using the time-dependent Hartree-Fock theory. To understand the torque acting on the fragments, the Frozen Hartree-Fock method is also used to determine the collective potential at scission. Two 240 Pu fission channels ( 132 Sn + 108 Ru and 144 Ba + 96 Sr) are studied. Further, these two channels cover different shapes (spherical, quadrupole, and octupole deformation) of the fragments. It is found that the angular momentum generated by the Coulomb interaction after fission is mainly collective, while this is not the case for the angular momentum generated at scission. The competition between rotational modes (bending, wriggling, and twisting) is discussed and shows that the angular momentum is generated mainly perpendicular to the fission axis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Angular Momentum Removal by Neutron and γ-Ray Emissions during Fission Fragment Decays

In this work, we investigate the angular momentum removal from fission fragments (FFs) through neutron and γ-ray emission, finding that about half the neutrons are emitted with angular momenta ≥ 1.5 ℏ and that the change in angular momentum after the emission of neutrons and statistical γ rays is significant, contradicting usual assumptions. Per fission event, in our simulations, the neutron and statistical γ-ray emissions change the spin of the fragment by 3.5 – 5 ℏ , with a large standard deviation comparable to the average value. Such wide angular momentum removal distributions can hide any underlying correlations in the fission fragment initial spin values. Within our model, we reproduce data on spin measurements from discrete transitions after neutron emissions, especially in the case of light FFs. The agreement further improves for the heavy fragments if one removes from the analysis the events that would produce isomeric states. Finally, we show that while in our model the initial FF spins do not follow a sawtoothlike behavior observed in recent measurements, the average FF spin computed after neutron and statistical γ emissions exhibits a shape that resembles a sawtooth. This suggests that the average FF spin measured after statistical emissions is not necessarily connected with the scission mechanism as previously implied.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Excitation energy of fission fragments within nuclear time-dependent density functional theory

The number and properties of the neutrons and photons emitted in nuclear fission are directly related to the excitation energy of the fission fragments when they are formed at scission. Though not observable experimentally because of the extremely short timescales, the excitation energy of fission fragments can be predicted by microscopic theory based on time-dependent density functional theory (TDDFT). Initial results on the value of the total kinetic energy of fission reactions were very promising, but could not probe all possible fragmentations. Here, in this work, we perform large-scale TDDFT calculations in 240 Pu enabled by the development of a new TDDFT solver. We obtain TDDFT trajectories covering nearly all possible fragmentations. We find that the total kinetic energy is close to experimental values only for the most likely fission while it is severely underestimated at both small and large asymmetries. This conclusion seems rather independent of the parametrization of the energy functional, both in its particle-hole and particle-particle channels.

Physics - Nuclear physics and radiation physics↗
DOE OSTI2020

Investigating bubble pressures in irradiated UO 2 for understanding fragmentation of high burnup structure

This report summarized work carried out to investigate mechanisms relevant to fragmentation of high burnup UO 2 fuel. High pressure bubbles that form in high burnup structure are thought to be responsible for fragmentation and pulverization, when exposed to a temperature ramp during a transient. The over-pressurization of the bubbles during normal operation is a pre-requisite for this mechanism to occur. Therefore, in this work we investigate the role of interstitials, produced through irradiation, in over-pressurizing the bubbles by using a combined molecular dynamics (MD) and cluster dynamics approach. Firstly, the energies for the annihilation of interstitials and vacancies at bubbles have been determined from MD as a function of bubble pressure. Secondly, these reaction energies have been implemented in the cluster dynamics code Centipede to determine the steady-state defect concentrations and bubble pressure under irradiation. It was found that there is a transition from low pressure bubbles, at high temperature, to high pressure bubbles, at low temperatures. This indicates the formation of over-pressurized bubbles in the low temperature periphery of the pellet, where high burnup structure forms. This result supports the hypothesis that over-pressurized bubbles form during steady-state operation and can then contribute to fragmentation during a transient. Future work will examine the influence of bubble pressure on Xe diffusion and study the impact of other sinks (e.g. grain boundaries and dislocations) that are relevant to high burnup structure. Ultimately, the goal is to provide predictions of the bubble pressure as a function of burnup that can be used to derive a more mechanistic fragmentation threshold for use in BISON.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Generation of Fission Fragment Angular Momentum

In the last two years FREYA has been updated to study fission fragment angular momentum generation. We have also introduced integer and half integer spins, not specified in FREYA previously, and required to specify fragments more precisely. With these changes, FERYA still conserves energy as well as linear and angular momentum throughout the fission event. It is now possible to use FREYA to study a number of correlated quantities related to fragment spin, some of which can be directly measured. The spin-spin correlation was a major point of discussion at the Fission Fragment Angular Momentum workshop in Seattle in June 2022.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Flavor Dependence of Charged Pion Fragmentation Functions

We have measured the flavor dependence of multiplicities for π + and π - production in semi-inclusive deep-inelastic scattering (SIDIS) on proton and deuteron to explore a possible charge symmetry violation in fragmentation functions. The experiment used an electron beam with energies of 10.2 and 10.6 GeV at Jefferson Lab and the Hall-C spectrometers. The electron kinematics spanned the range 0.3 < x < 0.6, 2 < Q 2 < 5.5 GeV2, and 2.2 < W < 3.2 GeV. The pion fractional momentum range was 0.3 < z < 0.7, and the transverse momentum range was 0 < p T < 0.25 GeV/c. Assuming factorization and allowing for isospin breaking, the results can be described by two “favored” and two “unfavored” effective low p T fragmentation functions that are flavor-dependent. We find each pair converges to a common flavor-independent fragmentation function at the highest W, where factorization is most applicable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Integral LOCA fragmentation test on high-burnup fuel

Increasing the fuel burnup limit in light water reactors is sought to enhance fuel cycle economics and requires establishing a technical basis. Experimental observations of severe fuel fragmentation under loss-of-coolant-accident conditions at Halden and Studsvik had raised the need for additional considerations during the development of this technical basis. These test data suggested that the burnup threshold for high burnup fuel fragmentation may be influenced by pre-transient power. Additional loss-of-coolant-accident test data is therefore valuable to complement these tests and enhance the current state of understating. Oak Ridge National Lab has developed the Severe Accident Test Station capable of examining the oxidation kinetics and accident response of irradiated fuel and cladding materials for design basis accident and beyond design basis accident scenarios. Severe Accident Test Station provides various temperature profiles, steam, and the thermal shock conditions necessary for integral loss of coolant accident testing, defueled oxidation quench testing, and high-temperature beyond design basis accident testing. Severe Accident Test Station has been successfully installed and demonstrated in the Irradiated Fuels Examination Laboratory at Oak Ridge National Lab. Furthermore, descriptions of the in-cell re-fabrication capabilities and assembly of the loss-of-coolant-accident test train are provided. Installation of the Severe Accident Test Station system and in-cell re-fabrication restores United States capability to examine postulated and extended loss-of-coolant-accident conditions on spent fuel and cladding and provides a platform for evaluating advanced fuel and accident-tolerant fuel cladding concepts. Lastly, three in-cell integral loss-of-coolant-accident test were performed in the Severe Accident Test Station and compared to the Nuclear Regulatory Commission sponsored loss-of-coolant-accident test as well as the original loss-of-coolant-accident test performed at Argonne National Lab. Finally, the results of these tests as well as all publicly available integral loss-of-coolant-accident test were used to validate a threshold for high burnup fuel fragmentation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Theoretical Insights on the Fragmentation of Cellulosic Oligomers to Form Hydroxyacetone and Hydroxyacetaldehyde

The presence of heavy unknown oligomeric sugar products in bio-oil is evidenced in experimental results reported in the literature. In this paper, we study the fragmentation reactions yielding acetol and glycolaldehyde from oligomeric sugars following previous work on dehydration reactions to propose structures of these oligomers. Acetol and glycolaldehyde are primary products of cellulose fast pyrolysis but the fragmentation reaction mechanism of these compounds from oligomers merits further study. The density functional theory (DFT) approach was employed to study this reaction. Results revealed that acetol and glycolaldehyde fragments are favorably removed from the non-reducing end based on their thermodynamic stabilities. Theoretical FTIR and NMR spectra were calculated to aid in understanding the structures of the oligomeric sugars. Also, the thermodynamics and physical properties of these compounds were estimated using the Group Contribution Method (GCM). In conclusion, these properties are essential in the design of processing technologies and the upgrading of products.

10 SYNTHETIC FUELS↗
DOE OSTI2021

Restoring broken symmetries for nuclei and reaction fragments

In typical microscopic approaches, particularly when pairing correlations are present, nuclei and nuclear fragments do not have well defined quantum numbers and symmetries should be restored. In this work, I present a formalism for the simultaneous projection of total particle numbers of a nucleus, particle number of reaction fragments, and of the reaction fragment intrinsic spins and of their correlation, and also for their symmetry restored densities and total energies. These formulas for the symmetry restored quantities, are free of any singularities, unlike those in the previously introduced prescriptions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Jet fragmentation transverse momentum distributions in pp and p-Pb collisions at $ \sqrt{s}$, $\sqrt{s_{\mathrm{NN}}}$ = 5.02 TeV

Jet fragmentation transverse momentum ( j T ) distributions are measured in proton-proton (pp) and proton-lead (p-Pb) collisions at s NN = 5 . 02 TeV with the ALICE experiment at the LHC. Jets are reconstructed with the ALICE tracking detectors and electromagnetic calorimeter using the anti- k T algorithm with resolution parameter R = 0 . 4 in the pseudorapidity range |η| < 0 . 25. The j T values are calculated for charged particles inside a fixed cone with a radius R = 0 . 4 around the reconstructed jet axis. The measured j T distributions are compared with a variety of parton-shower models. Herwig and P ythia 8 based models describe the data well for the higher j T region, while they underestimate the lower j T region. The j T distributions are further characterised by fitting them with a function composed of an inverse gamma function for higher j T values (called the “wide component”), related to the perturbative component of the fragmentation process, and with a Gaussian for lower j T values (called the “narrow component”), predominantly connected to the hadronisation process. The width of the Gaussian has only a weak dependence on jet transverse momentum, while that of the inverse gamma function increases with increasing jet transverse momentum. For the narrow component, the measured trends are successfully described by all models except for Herwig. For the wide component, Herwig and PYTHIA 8 based models slightly underestimate the data for the higher jet transverse momentum region. These measurements set constraints on models of jet fragmentation and hadronisation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dihadron correlations in small- x DIS at NLO: transverse momentum dependent fragmentation

We compute the inclusive dihadron cross-section in Deep Inelastic Scattering at next-to-leading order (NLO) and small x in the Color Glass Condensate. We focus on the kinematic limit where the hadrons are produced at forward rapidities (in the direction of the virtual photon) and back-to-back in the transverse plane. Our calculation demonstrates that the coefficient of the Sudakov double logarithm for this process is –$\frac{αs}{2π}$ [C F + $\frac{Nc}{2}$] instead of –$\frac{αsNc}{4π}$ when back-to-back jets are measured in the final state. To preserve the universality of the Sudakov soft factor associated with the Weizsäcker-Williams transverse momentum dependent (TMD) gluon distribution, we promote the collinear fragmentation functions into TMD fragmentation functions. We then perform the resummation of the Sudakov logarithms through Collins-Soper-Sterman evolution of the TMD fragmentation functions and the Weizsäcker-Williams TMD gluon distribution. Finally, analytic expressions are obtained for the NLO coefficient functions in the $\overline{MS}$-scheme. These results pave the way towards numerically calculating dihadron correlations at small x at the future Electron-Ion Collider with full NLO accuracy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗