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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Generating and processing optical waveforms using spectral singularities

Here, we show that a laser at threshold can be utilized to generate the class of coherent and transform-limited waveforms (vt — z) m e i(kz—ωt) at optical frequencies. We derive these properties analytically and demonstrate them in semiclassical time-domain laser simulations. We then utilize these waveforms to expand other waveforms with high modulation frequencies and demonstrate theoretically the feasibility of complex-frequency coherent absorption at optical frequencies, with efficient energy transduction and cavity loading. This approach has potential applications in quantum computing, photonic circuits, and biomedicine.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Study of the Mu2e sensitivity to the $\mu^-\rightarrow e^+$ conversion process

The Mu2e experiment at Fermilab (Batavia, IL) will search for the coherent neutrinoless conversion of a muon into an electron in the electric field of an aluminum atom. The conversion process results in a monochromatic electron with energy slightly below the muon rest mass ($E_e= 104.97$ MeV). The experiment goal is to improve the previous measurement by four orders of magnitude and reach a single event sensitivity of $3 \times 10^{-17} $ on the conversion rate with respect to the muon capture rate. \\ The experiment will deliver a very intense pulsed negative muon beam to an aluminum target to achieve a total number of $10^{18}$ stopped muons in three years of running. Production and transport of the muons are accomplished with a sophisticated magnetic system comprised of a Production, a Transport and a Detector solenoid, with the last one hosting a Straw-tube Tracker and a Crystal Calorimeter. The entire detector region is surrounded by a Cosmic Ray Veto system. Mu2e is und er construction at the Muon Campus of Fermilab. \\ The INFN italian group is responsible for the design and construction of the crystal calorimeter, which plays a crucial role in the Mu2e measurement, providing particle identification capabilities fundamental for the rejection of the different background sources that can mimic a conversion electron. The calorimeter information allows also to improve the tracking performances it provides a fast standalone trigger for the experiment.\\ After a long R\&D phase, the final drawings see a calorimeter comprised of 1348 pure CsI crystals arranged in two annular disks. Each crystal is readout by two custom UV-extended Silicon Photomultipliers (SiPMs). Performances of the selected components were verified with an electron beam test, carried out in 2017 at the Beam Test Facility (BTF) at the National Laboratories of Frascati, on a large size prototype of 51 crystals and 102 SiPMs, confirming excellent energy ($\sigma_{E}/E = \mathcal{O }(10\%)$) and timing ($\sigma_{T} <500$ ps) resolutions in a! greement with the Mu2e specifications.\\ In the first chapters of this thesis, I describe my involvement in the calorimeter activities, with particular emphasis on the data analysis of the prototype energy response and resolution, that I was personally leading. Moreover, a description of the tuning of the simulation and the careful data-MC comparison is also reported.\\ An auxiliary measurement that can be performed with Mu2e is the search for a Lepton Number Violation (LNV) process where the negatively charged muon converts, without neutrinos, into a positron, $\mu ^{-} +N(A,Z) \rightarrow $ e$^+ +N(A,Z-2)$. At the moment of writing, Neutrinoless Double Beta Decay (0$\nu \beta \beta$) has set the most stringent limit on the LNV processes (T$^{0\nu \beta \beta}_{1/2} > 1.1 \times 10^{26} $ yr at 90$\%$ CL) with the GERDA experiment. In 0$\nu \beta \beta$ a pair of free electrons is created in the transformation from a nucleus $(A, Z)$ into its daughter $(A, Z + 2)$, namely: $(A,Z)\rightarrow (A, Z+2) =2 e^-$. Similar transitions could proceed through the emission of a pair of positrons, double electron capture (EC), or EC and single emission of a positron, with the nucleus changing from $(A, Z)$ to $(A, Z - 2)$. All these variations are equally interesting when discussing of new Physics, since they all manifest a non-conservation of the number of leptons.\\ Moreover, recent studies show that, because of flavor effect, off-diagonal processes, such as the $\mu^- -e^+$ conversion, can have their rate enhanced with respect to processes occurring in the $e-e$ sector.\\ Mu2e will search for $\mu^- + Al(27,13) \rightarrow e^+ +Na(27,11)$, only considering ground state transition, producing a conversion positron with energy $E_{e^+}= 92.32 $ MeV.\\ This thesis is focused on this search. In particular, I developed an algorithm to account for the radiative corrections to be applied to the conversion positrons that resulted in a few percent reduction in s ignal acceptance.\\ One of the most prominent background to ! this sear! ch is the Radiative Muon Capture (RMC) $ \mu+ N(Z,A)\rightarrow \gamma + \nu_{\mu} + N(Z-1,A)$. The produced photon can convert, virtually or in the detector materials (in the following referred as internal or external conversion respectively) in an electron-positron pair, producing positrons with energies approaching the expected conversion energy. Experimental results from previous experiments indicate the RMC endpoint ($\kmax$) to be of $\sim$ 90 MeV. A precise modeling of this background is relevant due to the proximity of the photon spectrum endpoint to the positron conversion energy. The calorimeter group is obviously interested to reconstruct the RMC distribution having also the opportunity to improve the current knowledge of the process. \\ A toy MC has been developed to evaluate the number of $e^+$ from external RMC background in the signal window. Knowing this value and ev...

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Staged Z-pinch modeling of high and low atomic number liners compressing deuterium targets using parameters of the Z pulsed power facility

The staged Z-pinch is a potentially transformative magneto-inertial fusion energy concept where a high atomic number liner implodes on a deuterium or deuterium-tritium target using multi-MA pulsed current. Over the past several years, this concept was studied experimentally on 1 MA facilities with argon or krypton gas puffs compressing a magnetized deuterium target. Consistent thermonuclear neutron yield of 1010 per shot was measured with krypton liners. In this paper, we investigate the fusion performance of deuterium targets of varying density undergoing compression with low (beryllium) and high atomic number liners (silver, tantalum) using parameters of the Z pulsed power facility. Silver and tantalum liners create strong shocks that preheat the target plasma above 100 eV and pile up liner material at the liner-target interface. The increased mass density at the interface creates strong ram pressure just before the pinch stagnation time. The target plasma is heated to 2–4 keV, in contrast to the < 0.5 kV temperature calculated for the beryllium case. The high atomic number liners produce neutron yield orders of magnitude higher than the yield from the low atomic number liner.

Ruskov, E. (ORCID:0000000336724580)↗
DOE OSTI2025

Utilizing Single-Crystalline Transformations for Precise Atom Placement in Multicomponent Cluster-Based Coordination Networks

The assembly of cluster or superatom building-blocks into extended solids has revolutionized materials design, enabling the synthesis of modular semiconductors with well-defined structures and tunable electronic, magnetic or optical properties. This strategy has recently advanced the synthesis of complex metal oxides with multifunctional or emergent behaviors, but precise atom placement of multiple elements with similar chemistries or preferred coordination environments remains a significant challenge. Here, in this study, we present a strategy for synthesizing polyoxometalate (POM)-based coordination networks with up to three different cations in precisely defined positions. Our approach leverages a single-crystal-to-single-crystal (SCSC) transformation in which the spatial placement of cations is governed by their availability at distinct stages of crystallization and transformation. Specifically, [ZP 5 W 30 O 110 ] (15-n)- (Z = Na + , K + , Ca 2+ , Ag + , Bi 3+ , Y 3+ , any Ln 3+ , Th 4+ ) is coordinatively assembled with various bridging metal cations (Y 3+ , any Ln 3+ , Th 4+ ). By using the encapsulated cation (Z) to "label" the POM, we track the phase-transformation and confirm the retention of single crystallinity. The integrated use of POM labeling and SCSC transformation enables rational control over cation distribution and establishes a versatile strategy for constructing multicomponent materials with high compositional and spatial precision.

Chen, Linfeng [Univ. of California, San Diego, CA ↗
DOE OSTI2024

Enhanced beam-beam modeling to include longitudinal variation during weak-strong simulation

Beam-beam interactions pose substantial challenges in the design and operation of circular colliders, significantly affecting their performance. In particular, the weak-strong simulation approach is pivotal for investigating single-particle dynamics during the collider design phase. This paper evaluates the limitations of existing models in weak-strong simulations, noting that while they accurately account for energy changes due to slingshot effects, they fail to incorporate longitudinal coordinate changes ( z variation). To address this gap, we introduce two novel transformations that enhance Hirata’s original framework by including both z variation and slingshot effect-induced energy changes. Through rigorous mathematical analysis and extensive weak-strong simulation studies, we validate the efficacy of these enhancements in achieving a more precise simulation of beam-beam interactions. Our results reveal that although z variation constitutes a higher-order effect and does not substantially affect the emittance growth rate within the specific design parameters of the Electron-Ion Collider, the refined model offers improved accuracy, particularly in scenarios involving the interaction between beam-beam effects and other random diffusion processes, as well as in simulations incorporating realistic lattice models. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

A 3D FPGA Track Segment Seeding Engine Based on the Tiny Triplet Finder

A 3D track segment seeding engine core based on the Tiny Triplet Finder has been implemented and tested in a low-cost FPGA device. The seeding engine is designed to preselect and group hits (stubs) from cylindrical detector layers to feed subsequent track fitting stage. The seeding engine consists of a Hough transform space for r-z view and a Tiny Triplet Finder for r-phi view to implement 3D constraints. The seeding engine is organized as a pipeline so that each hit is processed in a single clock cycle. Test results show that the seeding engine operates as expected.

Wu, Jinyuan↗
DOE OSTI2023

The Tiny Triplet Finder as a Versatile Track Segment Seeding Engine for Trigger Systems

In high energy physics experiment trigger systems, track segment seeding is a resource consuming function and the primary reason is the computing complexity of the segment finding process. As the Moore's Law is reaching its physical limit, reducing computing complexity should be carefully considered, rather than keep piling up silicon resources. The Tiny Triplet Finder is a scheme that reduces the computing complexity of the segment seeding. As a proof of concept, a 3D track segment seeding engine core based on the Tiny Triplet Finder has been implemented and tested in a low-cost FPGA device. The seeding engine is designed to preselect and group hits (stubs) from detector layers to feed subsequent track fitting stage. The seeding engine consists of a Hough transform space for r-z view and a Tiny Triplet Finder for r-phi view to implement 3D constraints. The seeding engine is organized as a pipeline so that each hit is processed in a single clock cycle. Taking advantage of the register-like storage block scheme which enables effectively resetting of a block RAM within a single clock cycle, clearing or refreshing the seeding engine takes only one clock cycles between two events. The Tiny Triplet Finder is also a generic coincidence finding scheme that can be used for many tasks. As a versatility demonstration, track segment finding performances for two distinctive detector geometries are tested in our seeding engine. In a collider barrel-layer geometry, the fake segment rates are studied for 3D (i.e., both r-phi and r-z views) and 2D (i.e., r-phi or r-z view only) configurations for high hit multiplicity events (>4000 hits/layer in the barrel region). Another detector geometry contains strip plane layers with timing information. The numbers of coincidences, both real or fake, with or without timing ("3D" or "2D") information at various hit multiplicities are studied.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Mallat Scattering Transformation based surrogate for Magnetohydrodynamics

Abstract A Machine and Deep Learning (MLDL) methodology is developed and applied to give a high fidelity, fast surrogate for 2D resistive MagnetoHydroDynamic (MHD) simulations of Magnetic Liner Inertial Fusion (MagLIF) implosions. The resistive MHD code is used to generate an ensemble of implosions with different liner aspect ratios, initial gas preheat temperatures (that is, different adiabats), and different liner perturbations. The liner density and magnetic field as functions of x , y , and z were generated. The Mallat Scattering Transformation (MST) is taken of the logarithm of both fields and a Principal Components Analysis (PCA) is done on the logarithm of the MST of both fields. The fields are projected onto the PCA vectors and a small number of these PCA vector components are kept. Singular Value Decompositions of the cross correlation of the input parameters to the output logarithm of the MST of the fields, and of the cross correlation of the SVD vector components to the PCA vector components are done. This allows the identification of the PCA vectors vis-a-vis the input parameters. Finally, a Multi Layer Perceptron (MLP) neural network with ReLU activation and a simple three layer encoder/decoder architecture is trained on this dataset to predict the PCA vector components of the fields as a function of time. Details of the implosion, stagnation, and the disassembly are well captured. Examination of the PCA vectors and a permutation importance analysis of the MLP show definitive evidence of an inverse turbulent cascade into a dipole emergent behavior. The orientation of the dipole is set by the initial liner perturbation. The analysis is repeated with a version of the MST which includes phase, called Wavelet Phase Harmonics (WPH). While WPH do not give the physical insight of the MST, they can and are inverted to give field configurations as a function of time, including field-to-field correlations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Hidden Rotation Symmetry of the Jordan–Wigner Transformation and Its Application to Measurement in Quantum Computation

Using a global rotation by 𝜃 about the z-axis in the spin sector of the Jordan–Wigner transformation rotates Pauli matrices 𝑋̂ and 𝑌̂ in the 𝑥−𝑦 -plane, while it adds a global complex phase to fermionic quantum states that have a fixed number of particles. With the right choice of angles, this relates expectation values of Pauli strings containing products of 𝑋̂ and 𝑌̂ to different products, which can be employed to reduce the number of measurements needed when simulating fermionic systems on a quantum computer. Here, we derive this symmetry and show how it can be applied to systems in Physics and Chemistry that involve Hamiltonians with only single-particle (hopping) and two-particle (interaction) terms. We also discuss the consequences of this for finding efficient measurement circuits in variational ground state preparation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Clustering with general photo- z uncertainties: application to Baryon Acoustic Oscillations

ABSTRACT Photometric data can be analysed using the 3D correlation function ξp to extract cosmological information via e.g. measurement of the Baryon Acoustic Oscillations (BAO). Previous studies modeled ξp assuming a Gaussian photo-z approximation. In this work we improve the modeling by incorporating realistic photo-z distribution. We show that the position of the BAO scale in ξp is determined by the photo-z distribution and the Jacobian of the transformation. The latter diverges at the transverse scale of the separation s⊥, and it explains why ξp traces the underlying correlation function at s⊥, rather than s, when the photo-z uncertainty σz/(1+ z) ≳ 0.02. We also obtain the Gaussian covariance for ξp. Due to photo-z mixing, the covariance of ξp shows strong off-diagonal elements. The high correlation of the data causes some issues to the data fitting. None the less, we find that either it can be solved by suppressing the largest eigenvalues of the covariance or it is not directly related to the BAO. We test our BAO fitting pipeline using a set of mock catalogs. The data set is dedicated for Dark Energy Survey Year 3 (DES Y3) BAO analyses and includes realistic photo-z distributions. The theory template is in good agreement with mock measurement. Based on the DES Y3 mocks, ξp statistic is forecast to constrain the BAO shift parameter α to be 1.001 ± 0.023, which is well consistent with the corresponding constraint derived from the angular correlation function measurements. Thus, ξp offers a competitive alternative for the photometric data analyses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Host Design for Carbon Capture and Regeneration in Porous Liquids

The demand for efficient gas capture technologies drives the exploration of porous liquids (PLs) as alternatives to traditional amine mixtures, which incur high operational costs due to energy-intensive regeneration processes. This research investigates the use of porous organic cages (POCs) within PLs to enhance gas capture and separation capabilities. We demonstrate that the flexibility of POCs under isostatic pressure facilitates the expulsion of captured gas molecules, enabling low-energy regeneration and the creation of an isostatic pressure testing capability for PLs. Additionally, a new CC3-OH POC derivative with scrambled hydroxides exhibits a twofold increase in CO 2 adsorption capacity, attributed to enhanced interactions between hydroxide linkers and CO 2 . Furthermore, we explore the stability of azobenzene-containing organic cages formed via imine and amine bonds, revealing that the flexible amine bond allows for more efficient E-Z isomerization. Our findings highlight the transformative potential of PLs and azobenzene-derived systems in gas separation technologies, paving the way for innovative low-energy regeneration pathways.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Single-crystal X-ray diffraction of fluorapatite to 61 GPa

Apatite is a mineral of widespread importance in Earth and planetary science. Here we examine the behavior of a natural fluorapatite (FAp) crystal from Durango (Mexico) under compression to 61 GPa. Single-crystal X-ray diffraction experiments were carried out in a diamond-anvil cell using a synchrotron source. The apatite structure persists up to 32.4 GPa. Birch-Murnaghan equation of state parameters were fit to the pressure-volume data for fluorapatite for two cases: fixing V 0 at its measured ambient value resulted in a bulk modulus, K 0T , of 97.0(8) GPa and a pressure derivative of the bulk modulus, K' 0T , of 3.3(1), while fixing V 0 and K 0T at its ambient value 90.5 GPa (derived from ultrasonically measured elastic constants) resulted in a K' 0T value of 4.1(1). At 35.6 GPa, fluorapatite transforms to a triclinic phase (P$\bar{1}$, Z = 4), designated here as fluorapatite II (FAp-II). This phase persists up to at least 61 GPa. The major structural differences between FAp and FAp-II involve the buckling of the Ca polyhedra along the c-axis and changes in the number and coordination of the Ca sites. Furthermore, our study extends the pressure range over which fluorapatite has been examined by more than a factor of three, providing new insights into its structural response to high-pressure conditions.

58 GEOSCIENCES↗
DOE OSTI2021

Hamiltonian systems, Toda lattices, solitons, Lax pairs on weighted Z -graded graphs

In this study, we consider discrete one-dimensional nonlinear equations and present the procedure of lifting them to Z -graded graphs. We identify conditions that allow one to lift one-dimensional solutions to solutions on graphs. In particular, we prove the existence of solitons for static potentials on graded fractal graphs. We also show that even for a simple example of a topologically interesting graph, the corresponding non-trivial Lax pairs and associated unitary transformations do not lift to a Lax pair on the Z -graded graph.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Capture of novel sp 3 hybridized Z-BN by compressing boron nitride nanotubes with small diameter

Experimental synthesis of new sp 3 hybridized carbon/boron nitride structures remains challenging despite that numerous sp 3 structures have been proposed in theory. Here, we showed that compressed multi-walled boron nitride nanotubes (MWBNNTs) and boron nitride peapods (C 60 @BNNTs) with small diameters could transform into a new sp 3 hybridized boron nitride allotrope (Z-BN). This strategy is considered from the topological transition point of view in boron nitride nanotubes upon compression. Due to the increased curvature in compressed small-diameter MWBNNTs, the uncommon 4- and 8-membered rings in Z-BN could be more favorably formed. And the irreversible tube collapse is proved to be a critical factor for the capture of the formed Z-BN, because of the competition between the resilience of tube before collapse and the stress limitation for the lattice stabilization of Z-BN upon decompression. In this case, Z-BN starts to form above 19.0 GPa, which is fully reversible below 45 GPa and finally becomes quenchable at 93.5 GPa. Consequently, this collapse-induced capture of the high-pressure phase could also be extended to other tubular materials for quenching novel sp 3 structures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Quasar Shedding Its Dust Cocoon at Redshift 2

We present the first near-IR spectroscopy and joint analyses of multiwavelength observations for SDSS J082747.14+425241.1, a dust-reddened, weak broad emission-line quasar (WLQ) undergoing a remarkable broad-absorption line (BAL) transformation. The systemic redshift is more precisely measured to be z = 2.070 ± 0.001 using Hβ compared to z = 2.040 ± 0.003 using Mg ιι from the literature, signifying an extreme Mg ιι blueshift of 2140 ± 530 km s –1 relative to Hβ. Using the Hβ-based single-epoch scaling relation with a systematic uncertainty of 0.3 dex, its black hole (BH) mass and Eddington ratio are estimated to be M BH ~ 6.1 × 10 8 M ⊙ and λ Edd ~ 0.71, indicative of being in a rapidly accreting phase. Our investigations confirm the WLQ nature and the LoBAL → HiBAL transformation, along with a factor of 2 increase in the Mg ιι+Fe ιι emission strength and a decrease of 0.1 in E(B – V) over two decades. The kinetic power of this LoBAL wind at R ~ 15 pc from its BH is estimated to be ~43% of the Eddington luminosity, sufficient for quasar feedback upon its host galaxy albeit with an order-of-magnitude uncertainty. This quasar provides a clear example of the long-sought scenario where LoBAL quasars are surrounded by dust cocoons, and wide-angle nuclear winds play a key role in the transition of red quasars evolving into the commonly seen blue quasars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Trace anomaly form factors from lattice QCD

The hadron mass can be obtained through the calculation of the trace of the energy-momentum tensor in the hadron which includes the trace anomaly and sigma terms. The anomaly due to conformal symmetry breaking is believed to be an important ingredient for hadron mass generation and confinement. In this work, we will present the calculation of the glue part of the trace anomaly form factors of the pion up to Q 2 ∼ 4.3 GeV 2 and the nucleon up to Q 2 ∼ 1 GeV 2 . The calculations are performed on a domain wall fermion ensemble with overlap valence quarks at seven valence pion masses varying from ∼ 250 to ∼ 540 MeV , including the unitary point ∼ 340 MeV . We calculate the radius of the glue trace anomaly for the pion and the nucleon from the z expansion. By performing a two-dimensional Fourier transform on the glue trace anomaly form factors in the infinite momentum frame with no energy transfer, we also obtain their spatial distributions for several valence quark masses. The results are qualitatively extrapolated to the physical valence pion mass with systematic errors from the unphysical sea quark mass, discretization effects in the renormalization sum rule, and finite-volume effects to be addressed in the future. We find the pion’s form factor changes sign, as does its spatial distribution, for light quark masses. This explains how the trace anomaly contribution to the pion mass approaches zero toward the chiral limit. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Quantum Hamilton-Jacobi theory, spectral path integrals, and exact WKB analysis

We propose a new way to perform path integrals in quantum mechanics by using a quantum version of Hamilton-Jacobi (HJ) theory. In classical mechanics, Hamilton-Jacobi theory is a powerful formalism, however, its utility is not explored in quantum theory beyond approximation schemes. The canonical transformation enables one to set the new Hamiltonian to constant or zero, but keeps the information about solution in Hamilton’s characteristic function. To benefit from this in quantum theory, one must work with a formulation in which classical Hamiltonian is used. This uniquely points to phase space path integral. However, the main variable in HJ formalism is energy, not time. Thus, we are led to consider the Fourier transform of the path integral, the spectral path integral Z ˜ ( E ) . The evaluation of path integrals reduces to determining the quantum Hamilton characteristic functions (which can be achieved via an asymptotic analysis) and a discrete sum over the quantum period lattice, generalizing Gutzwiller’s sum. Published by the American Physical Society 2025

Türe, Mustafa (ORCID:0009000975968618)↗