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DOE OSTI2021

Cross-shell excitations in Ca 46 studied with fusion reactions induced by a reaccelerated rare isotope beam

Discovering unexplored high-spin states in neutron-rich nuclei can open up a new direction to study band structure and the associated shell structure in isospin-asymmetric many-body systems. However, experimental reach has so far been limited to neutron-deficient or stable nuclei which are preferentially produced in fusion reactions used in such studies. Here in this paper, we report the first γ-ray spectroscopy with fusion reactions using a reaccelerated rare-isotope beam of 45 K performed at the ReA3 facility of the National Superconducting Cyclotron Laboratory. Using particle and γ-ray coincidence techniques, three new higher-lying states around 6 MeV and five new γ-ray transitions were identified for 46 Ca, suggesting three independent band structures formed from different particle-hole configurations. The rotational-like band built on the 0$^+_2$ state is established up to the tentatively assigned 6$^+_2$ state. New results are compared to large-scale shell model calculations, confirming the validity of the effective interaction describing particle-hole excitations across the Z=20 and N=28 shell gaps in the vicinity of doubly-magic 48 Ca.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Reduction of spectroscopic overlap across the Z = 8 shell in neutron-rich nuclei

The recent discovery and spectroscopic measurements of 27 O and 28 O suggests the disappearance of the N = 20 shell structure in these neutron-rich oxygen isotopes. We measured one- and two-proton removal cross sections from 27 F and 29 N, respectively, extracting spectroscopic factors and comparing them to shell model overlap functions coupled with eikonal reaction model calculations. The invariant mass technique was used to reconstruct the two-body ( 24 O + n) and three-body ( 24 O + 2n) decay energies from knockout reactions of 27 F (106.2 MeV/u) and 29 Ne (112.8 MeV/u) beams impinging on a 9 Be target. The one-proton removal from 27 F strongly populated the ground state of 26 O and the extracted cross section of $3.4^{+0.3}_{-1.5}$ mb agrees with eikonal model calculations that are normalized by the shell model spectroscopic factors and account for the systematic reduction factor observed for single nucleon removal reactions within the models used. For the two-proton removal reaction from 29 Ne an upper limit of 0.08 mb was extracted for populating states in 27 O decaying though the ground state of 26 O. The measured upper limit for the population of the ground state of 26 O in the two-proton removal reaction from 29 Ne indicates a significant difference in the underlying nuclear structure of 27 F and 29 Ne.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Laser-direct-drive fusion target design with a high- Z gradient-density pusher shell

Laser-direct-drive fusion target designs with solid deuterium-tritium (DT) fuel, a high-Z gradient-density pusher shell (GDPS), and a Au-coated foam layer have been investigated through both 1D and 2D radiation-hydrodynamic simulations. Compared with conventional low-Z ablators and DT-push-on-DT targets, these GDPS targets possess certain advantages of being instability-resistant implosions that can be high adiabat (α ≥ 8) and low hot-spot and pusher-shell convergence (CR hs ≈ 22 and CR PS ≈ 17), and have a low implosion velocity (v imp < 3 × 10 7 cm/s). Using symmetric drive with laser energies of 1.9 to 2.5 MJ, 1D LILAC simulations of these GDPS implosions can result in neutron yields corresponding to >~50–MJ energy, even with reduced laser absorption due to the cross-beam energy transfer (CBET) effect. Two-dimensional DRACO simulations show that these GDPS targets can still ignite and deliver neutron yields from 4 to ~10 MJ even if CBET is present, while traditional DT-push-on-DT targets normally fail due to the CBET-induced reduction of ablation pressure. If CBET is mitigated, these GDPS targets are expected to produce neutron yields of >20 MJ at a driven laser energy of ~2 MJ. Here are the key factors behind the robust ignition and moderate energy gain of such GDPS implosions are as follows: (1) The high initial density of the high-Z pusher shell can be placed at a very high adiabat while the DT fuel is maintained at a relatively low-entropy state; therefore, such implosions can still provide enough compression ρR >1 g/cm 2 for sufficient confinement; (2) the high-Z layer significantly reduces heat-conduction loss from the hot spot since thermal conductivity scales as ~1/Z; and (3) possible radiation trapping may offer an additional advantage for reducing energy loss from such high-Z targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Patterning of multicomponent elastic shells by gaussian curvature

Recent findings suggest that shell protein distribution and the morphology of bacterial microcompartments regulate the chemical fluxes facilitating reactions which dictate their biological function. Here, we explore how the morphology and component patterning are coupled through the competition of mean and gaussian bending energies in multicomponent elastic shells that form three-component irregular polyhedra. We observe two softer components with lower bending rigidities allocated on the edges and vertices while the harder component occupies the faces. When subjected to a nonzero interfacial line tension, the two softer components further separate and pattern into subdomains that are mediated by the gaussian curvature. We find that this degree of fractionation is maximized when there is a weaker line tension and when the ratio of bending rigidities between the two softer domains ≈2. Our results reveal a patterning mechanism in multicomponent shells that can capture the observed morphologies of bacterial microcompartments, and moreover, can be realized in synthetic vesicles.

Monte Carlo methods↗

DOE OSTI2020

Energy Flow in Thin Shell Implosions and Explosions

Energy flow and balance in convergent systems beyond petapascal energy densities controls the fate of late-stage stars and the potential for controlling thermonuclear inertial fusion ignition. Time-resolved x-ray self-emission imaging combined with a Bayesian inference analysis is used to describe the energy flow and the potential information stored in the rebounding spherical shock at 0.22 PPa (2.2 Gbar or billions of atmospheres pressure). This analysis, together with a simple mechanical model, describes the trajectory of the shell and the time history of the pressure at the fuel-shell interface, ablation pressure, and energy partitioning including kinetic energy of the shell and internal energy of the fuel. Here, the techniques used here provide a fully self-consistent uncertainty analysis of integrated implosion data, a thermodynamic-path independent measurement of pressure in the petapascal range, and can be used to deduce the energy ow in a wide variety of implosion systems to petapascal energy densities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Structure and dynamics of open-shell nuclei from spherical coupled-cluster theory

We extend the spherical coupled-cluster ab initio method for open-shell nuclei where two nucleons are removed from a shell subclosure. Following the recent implementation of the two-particle-attached approach [Phys. Rev. C 110, 044306 (2024)], we focus on the two-particle-removed method. Using the equations-of-motion framework, we address both nuclear structure and dipole response functions by coupling coupled-cluster theory with the Lorentz integral transform technique. We perform calculations using chiral interactions, including three-nucleon forces, and estimate many-body uncertainties by comparing different coupled-cluster truncation schemes. Here, we validate our approach by studying ground-state energies, excited states, and electric dipole polarizabilities in the oxygen and calcium isotopic chains. For binding energies and selected low-lying excited states, we achieve an accuracy comparable to that of the established closed-shell coupled-cluster theory and generally agree with experiment. Finally, we underestimate experimental data for electric dipole polarizabilities, particularly in calcium isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Seniority Structure in Neutron-Rich Nucleus 128 Ag : Evidence for Robustness of 𝑁 = 82 Shell Closure in Silver Isotopes

The spectroscopic studies of very neutron-rich nucleus 128 Ag have been performed for the first time at the Radioactive Isotope Beam Factory of RIKEN. A new seniority isomer with a half-life of 1.60(7) μs has been identified and is proposed to have a spin-parity of 16 - with a maximally aligned configuration comprising three proton holes in the g 9/2 orbital and one neutron hole in the h 11/2 orbital. The new level structure in 128 Ag is quite well described by shell model calculations without invoking excitations across the Z = 50 and N = 82 shell gaps, and presents a good case of seniority scheme in odd-odd nuclei in the south vicinity of the double-magic nucleus 132 Sn. With a classification of various components of the proton-neutron interaction, the inversion of lowest-lying 9 - and 10 - states between 128 Ag and its neighboring isotone 130 In is found to be dynamically ascribed to the seniority-nonconserving proton-neutron interaction components. The structure above 10 - up to the 16 - isomer in 128 Ag shows remarkable similarities to seniority structures in the semimagic nuclei 128 Pd and 130 Cd. These spectroscopic features in 128 Ag indicate that the N = 82 shell closure is still robust in silver isotopes.

Luo, D. W. [Peking University, Beijing (China); et↗

DOE OSTI2026

Neural simulation-based inference of the Higgs trilinear self-coupling via off-shell Higgs production

One of the forthcoming major challenges in particle physics is the experimental determination of the Higgs trilinear self-coupling. While efforts have largely focused on on-shell double- and single-Higgs production in proton-proton collisions, off-shell Higgs production has also been proposed as a valuable complementary probe. In this article, we design a hybrid neural simulation-based inference (NSBI) approach to construct a likelihood of the Higgs signal incorporating modifications from the Standard Model effective field theory (SMEFT), relevant background processes, and quantum interference effects. It leverages the training efficiency of matrix-element-enhanced techniques, which are vital for robust SMEFT applications, while also incorporating the practical advantages of classification-based methods for effective background estimates. We demonstrate that our NSBI approach achieves sensitivity close to the theoretical optimum and provide expected constraints for the high-luminosity upgrade of the Large Hadron Collider. While we primarily concentrate on the Higgs trilinear self-coupling, we also consider constraints on other SMEFT operators that affect off-shell Higgs production.

Ghosh, Aishik [Univ. of California, Irvine, CA (Un↗

DOE OSTI2021

Shell-structure and asymmetry effects in level densities

Level density [Formula: see text] is derived for a nuclear system with a given energy [Formula: see text], neutron [Formula: see text], and proton [Formula: see text] particle numbers, within the semiclassical extended Thomas–Fermi and periodic-orbit theory beyond the Fermi-gas saddle-point method. We obtain [Formula: see text], where [Formula: see text] is the modified Bessel function of the entropy [Formula: see text], and [Formula: see text] is related to the number of integrals of motion, except for the energy [Formula: see text]. For small shell structure contribution one obtains within the micro–macroscopic approximation (MMA) the value of [Formula: see text] for [Formula: see text]. In the opposite case of much larger shell structure contributions one finds a larger value of [Formula: see text]. The MMA level density [Formula: see text] reaches the well-known Fermi gas asymptote for large excitation energies, and the finite micro-canonical limit for low excitation energies. Fitting the MMA [Formula: see text] to experimental data on a long isotope chain for low excitation energies, due mainly to the shell effects, one obtains results for the inverse level density parameter [Formula: see text], which differs significantly from that of neutron resonances.

Physics↗

DOE OSTI2026

Shell structure in 32P

The nuclear structure of 32P was investigated by detecting multi-γ coincidences along with charged light ions following the bombardment of an 18O target with a 30-MeV 16O beam from the Florida State University accelerator facility using the Clarion2-Trinity array of Clover γ spectrometers and GAGG (Gd-Al-Ga-garnet) scintillators for charged particles. A number of new states up to 12 MeV excitation and spins up to 9+ were observed by their γ decay patterns. Spins and parities were assigned by comparing measured γ angular distributions with polarizations inferred from Compton-scattering asymmetries between the Ge crystals in the Clover spectrometers. The new level scheme of 32P compares well with shell model calculations using the FSU cross-shell interaction and reasonably well with those using the sdpf-m interaction. In particular, structures with higher spin arise from promotion of more nucleons up to the f-p shell.

Allmond, James [ORNL] (ORCID:0000000165338721)↗

DOE OSTI2024

Progressive Dynamics for Cloth and Shell Animation

We propose Progressive Dynamics, a coarse-to-fine, level-of-detail simulation method for the physics-based animation of complex frictionally contacting thin shell and cloth dynamics. Progressive Dynamics provides tight-matching consistency and progressive improvement across levels, with comparable quality and realism to high-fidelity, IPC-based shell simulations [Li et al. 2021] at finest resolutions. Together these features enable an efficient animation-design pipeline with predictive coarse-resolution previews providing rapid design iterations for a final, to-be-generated, high-resolution animation. In contrast, previously, to design such scenes with comparable dynamics would require prohibitively slow design iterations via repeated direct simulations on high-resolution meshes. We evaluate and demonstrate Progressive Dynamics's features over a wide range of challenging stress-tests, benchmarks, and animation design tasks. Here Progressive Dynamics efficiently computes consistent previews at costs comparable to coarsest-level direct simulations. Its matching progressive refinements across levels then generate rich, high-resolution animations with high-speed dynamics, impacts, and the complex detailing of the dynamic wrinkling, folding, and sliding of frictionally contacting thin shells and fabrics.

Computer Science↗

DOE OSTI2023

Inferring assembly-curving trends of bacterial micro-compartment shell hexamers from crystal structure arrangements

Bacterial microcompartments (BMC) are complex macromolecular assemblies that participate in varied chemical processes in about one fourth of bacterial species. BMC-encapsulated enzymatic activities are segregated from other cell contents by means of semipermeable shells, justifying why BMC are viewed as prototype nano-reactors for biotechnological applications. Herein, we undertook a comparative study of bending propensities of BMC hexamers (BMC-H), the most abundant shell constituents. Published data show that some BMC-H, like β -carboxysomal CcmK, tend to assemble flat whereas other BMC-H often build curved objects. Inspection of available crystal structures presenting BMC-H in tiled arrangements permitted us to identify two major assembly modes with a striking connection with experimental trends. All-atom molecular dynamics (MD) supported that BMC-H bending is triggered robustly only from the arrangement adopted in crystals by BMC-H that experimentally form curved objects, leading to very similar arrangements to those found in structures of recomposed BMC shells. Simulations on triplets of planar-behaving hexamers, which were previously reconfigured to comply with such organization, confirmed that bending propensity is mostly defined by the precise lateral positioning of hexamers, rather than by BMC-H identity. Finally, an interfacial lysine was pinpointed as the most decisive residue in controlling PduA spontaneous curvature. Globally, results presented herein should contribute to improve our understanding of the variable mechanisms of biogenesis characterized for BMC, and of possible strategies to regulate BMC size and shape.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Double Shell Inertial Confinement Fusion X-Ray Spectral Analysis

At the National Ignition Facility (NIF), lasers are used to compress a double shell capsule with deuterium and tritium in order to create nuclear fusion processes. The lasers aim at the inside of a gold hohlraum which excite electrons which further release photons in the range of 0~20keV. The photons randomly disperse, ultimately either going towards the fuel capsule or back out the laser entrance holes. The photons that go towards the fuel capsule work towards the compression of the multi-shell capsule whereas the photons that leave the hohlraum have a chance at being picked up by the Lawrence Livermore National Lab’s ‘Dante’ photon detector. ‘Dante’ analyzes photon data by having 18 planar vacuum x-ray diodes (XRD) behind unique filters to differentiate data amongst various photon energies. The goal of the project was to analyze the characteristics of low and high energy photons released by the gold shell.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Selective mass scaling for single-layer thick shell elements in DYNA3D

Hexahedral elements can be adapted to model thin and moderately thick structures by neglecting the coupling of through-thickness stress, resulting in a fully three-dimensional, but simplified, state of stress. These specialized elements, often referred to as “thick” or “solid” shells, are generally employed to model thin-walled structures using continuum mechanics-based material models. In explicit dynamics simulations, where computational speed is important, these elements are integrated with a single quadrature point and a set of anti-hourglassing (stabilizing) forces. Thick shells, by definition, have a thickness dimension smaller than their in-plane dimensions, and this small thickness often determines the stable time step size in simulations, despite the mechanics being approximated. To alleviate this limitation while retaining the relevant dynamics of thin-walled structures, selective mass scaling (SMS), or selective mass “augmentation,” has been proposed in the literature. In this technical report, we explore the application of SMS to single-layer thick shells in the simulation software DYNA3D.

42 ENGINEERING↗

DOE OSTI2026

GaN Core-shell Nanofin Vertical Transistor (CoNVerT): A New Direction for Power Electronics (Final Scientific/Technical Report)

A novel power transistor architecture, the GaN c ore-shell n anofin ver tical transistor (CoNVerT) to address fundamental challenges in realizing the ultimate limit of GaN power transistor performance was explored experimentally. This technology promises ultra-high-efficiency high voltage/high power applications (e.g. DC/DC converters, motor control, fast charging, actuation), as well as to operate in harsh environments. The device exploits a vertical superjunction structure based on an experimentally-validated core-shell nanofin growth process in which lateral p-n heterojunctions are formed in a single growth step, while still maintaining vertical current flow for compact die size and low cost. The concept leverages the best properties of GaN for mid-range voltage applications: high mobility, high breakdown voltage, and native heterojunction enhancement-mode operation. Due to the crystallographic nature of the nanofin growth by molecular beam epitaxy, the sidewall heterojunctions occur on non-polar planes, resulting in ultra-smooth interfaces for high mobility, no sidewall etch damage and related surface/interface states, and elimination of piezoelectric effects that can limit reliability in conventional structures. This also facilitates superjunction formation for maximum device performance, and the selective-area growth of the nanofin results in dislocation-free growth, even on low-cost Si (111) substrate. In this program, core-shell nanofins were grown by molecular beam epitaxy, test structures to evaluate the doping, resistivity, and other electrical properties were fabricated, and the material and test structures were characterized in detail. The work identified clear potential (e.g., the doping was well controlled as required for superjunction concepts), but also additional areas that require additional effort to resolve (some unexpected crystal defects were encountered that require additional engineering to overcome). Simulation studies of the proposed concept validate that the fundamental approach is very promising, but additional effort in experimental realization is needed.

42 ENGINEERING↗

DOE OSTI2021

Energy Flow in Thin Shell Implosions and Explosions

Energy flow and balance in convergent systems beyond petapascal energy densities controls the fate of late-stage stars and the potential for controlling thermonuclear inertial fusion ignition. Timeresolved x-ray self-emission imaging combined with a Bayesian inference analysis is used to describe the energy flow and the potential information stored in the rebounding spherical shock at 0.22 petaPascal (2.2 Gbar or billions of atmospheres pressure). This analysis, together with a simple mechanical model, describes the trajectory of the shell and the time history of the pressure at the fuel-shell interface, ablation pressure, and energy partitioning including kinetic energy of the shell and internal energy of the fuel. The techniques used here provide a fully self-consistent uncertainty analysis of integrated implosion data, a thermodynamic-path independent measurement of pressure in the petaPascal range, and can be used to deduce the energy flow in a wide variety of implosion systems to petapascal energy densities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Yolk-shell nanoparticle, method and applications

A nanoparticle and a method for fabricating the nanoparticle utilize a decomposable material yoke located within permeable organic polymer material shell and separated from the permeable organic polymer material shell by a void space. When the decomposable material yoke comprises a sulfur material and the permeable organic polymer material shell comprises a material permeable to both a sulfur material vapor and a lithium ion within a battery electrolyte the nanoparticle may be used within an electrode for a Li/S battery absent the negative effects of battery electrode materials expansion.

25 ENERGY STORAGE↗

DOE OSTI2021

Yolk-shell nanoparticle, method and applications

Yu, Yu↗