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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Simulations Supporting the Development of Northstar's Indirect Beam Parameters Monitoring System

NorthStar Medical Radioisotopes, LLC is planning to produce the important medical radioisotope molybdenum-99 (Mo-99), the parent of technetium-99m (Tc-99m), through photonuclear reactions in molybdenum-100 (Mo-100). In this approach, a target comprising multiple thin disks of enriched molybdenum metal is bombarded with a 40-MeV electron beam. Electrons impinged on the molybdenum target produce bremsstrahlung X-rays that cause the nuclear reaction. Because enriched Mo-100 is expensive, there is a desire to utilize as much beam power as possible to achieve maximum production yield and minimize the size of the target. This requirement leads to very high beam power density (and heat deposition in the target), which creates challenging requirements for the cooling of the target. The critical part of the target is the target window. It separates the high-pressure helium cooled target from the vacuum beamline and the subject of structural and thermal stress. The temperature of the target window is proportional to the energy density deposited by the beam, so it is critical to maintain the desired beam profile on the target window. The feasibility of indirectly monitoring the maximum energy density of the beam on the beam window through beam losses at the main collimator (Collimator) before the production target was verified. A model of the NorthStar beam transport line was constructed for this purpose using MAD-X and Tao/Bmad codes. Beam optics were computed for the standard operational scenario, followed by an investigation involving approximately 400 cases with parameter variations in the last tuning quadrupoles. This was done to assess the correlation between losses in the collimator and the peak energy density on the target. We developed a model to explore the potential application of Optical transition radiation (OTR) for controlling beam parameters in the NorthStar beam delivery system. This model was based on a generic formula derived from the fundamental solution of the inhomogeneous wave equation of the vector potential, and allowed us to consider various surfaces, even those with irregular or random features, using numerical integration. We applied the model to OTR generated by relativistic electrons impacting an Inconel® 718 beam window. We examined cases with different levels of the window’s surface roughness, ranging from 0.5 to 3.0 microns of root square mean (RMS) deviation. The results of the OTR simulations provided distributions of OTR photons that can be used to study the limitations of optical systems for controlling beam parameters.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Half-ice, half-fire-driven ultranarrow phase crossover in one-dimensional decorated 𝑞-state Potts ferrimagnets: An AI-co-led exploration

OpenAI’s reasoning model o3-mini-high was used to carry out an exact analytic study of one-dimensional ferrimagnetic site- and bond-decorated 𝑞-state Potts models. We demonstrate that the finite-temperature ultranarrow phase crossover (UNPC), driven by a hidden “half-ice, half-fire” state recently discovered in the 𝑞=2 case (Ising model), persists for 𝑞>2. Moreover, we identify unique features for 𝑞>2, including the dome structure in the field-temperature phase diagram, and for large 𝑞 a secondary high-temperature UNPC to the fully disordered paramagnetic state. As the UNPC quickly approaches a genuine transition by enhancing 𝐽, the interaction between the backbone spins, two distinct behaviors emerge: In the site-decorated Potts model, 𝑇 0 is independent of 𝐽 and thus remains unchanged (Type-I UNPC), and in the bond-decorated Potts model with 𝑞>2, 𝑇 0 depends on 𝐽 and quickly shifts toward a finite temperature as 𝐽 increases (Type-II UNPC). These results establish a versatile framework for engineering controlled fast state-flipping switches in low-dimensional systems. Our nine-dan artificial intelligence (AI)-contribution framework assigns AI the meritorious status of AI-co-led discovery in this work.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Low-lying dipole response of Ni 64

In this work, two complementary real-photon scattering experiments were conducted on the proton-magic 64 Ni nucleus to study the dipole response up to its neutron-separation energy of $S_n$ = 9.7 MeV. By combining both measurements, 87 $E$1 and 23 $M$1 transitions were identified above 4.3 MeV. The results of the observed $M$1 transitions were compared to shell-model calculations using two different model spaces. It was found that the inclusion of excitations across the $Z$ = 28 shell gap in the calculations has a large impact. Furthermore, average cross sections for decays to the ground state (elastic transitions) as well as to lower-lying excited states (inelastic decays) were determined. The corresponding $E$1 channel was compared to calculations within the relativistic equation of motion (REOM) framework. Whereas the calculations of highest possible complexity reproduce the fragmentation and overall behavior of the $E$1 average elastic cross section well, the predicted absolute cross sections are approximately twice as high as the experimental upper limits even though the latter also include an estimate of the inelastic-decay channel.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Local wave-number model for inhomogeneous two-fluid mixing

We analyze the local wave-number (LWN) model, a two-point spectral closure model for turbulence, as applied to the Rayleigh-Taylor (RT) instability, the flow induced by the relaxation of a statically-unstable density stratification. Model outcomes are validated against data from 3D simulations of the RT instability. In the first part of the study we consider the minimal model terms required to capture inhomogeneous mixing and show that this version, with suitable model coefficients, is sufficient to capture the evolution of important mean global quantities including mix-width, turbulent mass flux velocity, and Reynolds stress, if the start time is chosen such that the earliest transitions are avoided. However, this simple model does not permit the expected finite asymptote of the density-specific-volume covariance b. In the second part of the study, we investigate two forms for a source term for the evolution of the spectrum of density-specific-volume covariance for the LWN model. The first includes an empirically motivated calibration of the source to achieve the final asymptotic state of constant b. Here, the second form does not require calibration but, in conjunction with enhanced diffusion and drag captures the full evolution of all the dynamical quantities, namely, the mix-layer growth, turbulent mass-flux velocity, Reynolds stress, as well as the desired behavior of b.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Machine learning defect properties in Cd-based chalcogenides

Impurity energy levels in the band gap can have serious consequences for a semiconductor's performance as a photovoltaic absorber. Data-driven approaches can help accelerate the prediction of point defect properties in common semiconductors, and thus lead to the identification of potential deep lying impurity states. In this work, we use density functional theory (DFT) to compute defect formation energies and charge transition levels of hundreds of impurities in CdX chalcogenide compounds, where X = Te, Se or S. We apply machine learning techniques on the DFT data and develop on-demand predictive models for the formation energy and relevant transition levels of any impurity atom in any site. The trained ML models are general and accurate enough to predict the properties of any possible point defects in any Cd-based chalcogenide, as we prove by testing on a few selected defects in mixed chalcogen compounds CdTe 0.5 Se 0.5 and CdSe 0.5 S 0.5 . The ML framework used in this work can be extended to any class of semiconductors.

density functional theory↗
DOE OSTI2020

Origin of gaplike behaviors in URu 2 Si 2 : Combined study via quasiparticle scattering spectroscopy and resistivity measurements

In this work, we address two long-standing questions regarding the hidden order in URu 2 Si 2 : Is it associated with the hybridization process, and what are the distinct roles played by the localized and itinerant electrons? Our quasiparticle scattering spectroscopy reveals a hybridization gap ubiquitous in the entire phase space spanned by P and Fe substitutions in URu 2 Si 2 , including the no-order and antiferromagnetic regions, with minimal change upon crossing the phase boundary. This indicates its opening is not associated with the ordering, and thus localized electrons must be the major player. Towards a consistent understanding of all the other gaplike behaviors observed only below transition temperatures, we analyze the electrical resistivity using a model in which gapped bosonic excitations are the dominant scattering source. With their stiffness set to follow an unusual temperature dependence (decreasing with decreasing temperature), this model fits all of our resistivity data well including the jump at the transition. Remarkably, the extracted gap increases slowly with increasing Fe content, similarly to the gap detected by inelastic neutron scattering at $Q_1$ = (1.4, 0, 0), suggesting a common origin. Such a model can also naturally explain the Hall effect temperature dependence without invoking Fermi surface gapping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Friction-mediated phase transition in confined active nematics

Using a minimal continuum model, we investigate the interplay between circular confinement and substrate friction in active nematics. Upon increasing the friction from low to high, we observe a dynamical phase transition from a circulating flow phase to an anisotropic flow phase in which the flow tends to align perpendicular to the nematic director at the boundary. We demonstrate that both the flow structure and dynamic correlations in the latter phase differ from those of an unconfined, active turbulent system and may be controlled by the prescribed nematic boundary conditions. Here, our results show that substrate friction and geometric confinement act as valuable control parameters in active nematics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Record acceleration of the two-dimensional Ising model using a high-performance wafer-scale engine

The versatility and wide-ranging applicability of the Ising model, originally introduced to study phase transitions in magnetic materials, have made it a cornerstone in statistical physics and a valuable tool for evaluating the performance of emerging computer hardware. Here, we present a novel implementation of the two-dimensional Ising model on Cerebras Wafer-Scale Engine (WSE) – a revolutionary processor that is opening new frontiers in computing. In our deployment of the checkerboard algorithm, we optimized the Ising model to take advantage of the unique WSE architecture. Specifically, we employed a compressed bit representation storing 16 spins on each int16 word, and efficiently distributed the spins over the processing units enabling seamless weak scaling and limiting communications to only immediate neighboring units. Our implementation can handle up to 754 simulations in parallel, achieving an aggregate of over 61.8 trillion flip attempts per second for Ising models with up to 200 million spins. This represents a gain of up to 148 times over previously reported single-devices with a highly optimized implementation on NVIDIA V100 and up to 88 times in productivity compared to NVIDIA H100. Our findings highlight the significant potential of the WSE in scientific computing, particularly in the field of materials modeling.

Ising model↗
DOE OSTI2024

Solid-to-plasma transition of polystyrene induced by a nanosecond laser pulse within the context of inertial confinement fusion

Laser Direct Drive (LDD) Inertial Confinement Fusion (ICF) involves irradiating a spherical target of thermonuclear fuel coated with an ablator, usually made of polystyrene. Laser energy absorption near the target surface leads to matter ablation, hydrodynamic shocks, and ultimately capsule implosion. The conservation of spherical symmetry is crucial for implosion efficiency, yet spatial modulations in laser intensity can induce nonuniformities, causing the laser imprint phenomenon. Understanding laser imprint, especially considering the initial solid state, is essential for advancing LDD ICF. A first microscopic model of solid-to-plasma transition was built in 2019, accounting for laser absorption in the solid state with a band structure based ionization model. This model has been improved to include chemical fragmentation and a more accurate description of electron collision frequency in various matter states. The latest development involves assessing the model reliability by comparing theoretical predictions with experimental observations. Despite the success of this approach, questions remain, leading to further investigations and observations under different irradiation conditions. This work presents an experiment with a nanosecond pulse, taking into account hydrodynamic effects, and measures transmission dynamics over the entire laser beam area to observe two-dimensional effects. As a result, the objective is to adapt the theoretical model, couple it with a hydrodynamic code, and observe additional effects related to the initial solid state.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Asymptotic Freedom at the Berezinskii-Kosterlitz-Thouless Transition without Fine-Tuning Using a Qubit Regularization

We propose a two-dimensional hard-core loop-gas model as a way to regularize the asymptotically free massive continuum quantum field theory that emerges at the Berezinskii-Kosterlitz-Thouless transition. Without fine-tuning, our model can reproduce the universal step-scaling function of the classical lattice X Y model in the massive phase as we approach the phase transition. This is achieved by lowering the fugacity of Fock-vacuum sites in the loop-gas configuration space to zero in the thermodynamic limit. Some of the universal quantities at the Berezinskii-Kosterlitz-Thouless transition show smaller finite size effects in our model as compared to the traditional X Y model. Our model is a prime example of qubit regularization of an asymptotically free massive quantum field theory in Euclidean space-time and helps understand how asymptotic freedom can arise as a relevant perturbation at a decoupled fixed point without fine-tuning. Published by the American Physical Society 2024

Physics↗
DOE OSTI2025

Transport and confinement physics: Chapter 2 of the special issue: on the path to tokamak burning plasma operation

Progress in physics understanding and theoretical model development of plasma transport and confinement (TC) in the ITPA TC Topical Group since the publication of the ITER Physics Basis (IPB) document (Doyle et al 2007 Nucl. Fusion 47 S18) was summarized focusing on the contributions to ITER and burning plasma prediction and control. This paper provides a general and streamlined overview on the advances that were mainly led by the ITPA TC joint experiments and joint activities for the last 15 years (see JEX/JA table in appendix). This paper starts with the scientific strategy and scope of the ITPA TC Topical group and overall picture of the major progress, followed by the progress of each research field: particle transport, impurity transport, ion and electron thermal turbulent transport, momentum transport, impact of 3D magnetic fields on transport, confinement mode transitions, global confinement, and reduced transport modeling. Cross references with other Topical Groups are given in order to highlight overlapped topics, such as the 3D effect on the plasma transport in the edge and L-H transition physics. The increasing overlap between the topical groups is a reflection of the progress on integrating the known physics into comprehensive models that are better and better able to reproduce the plasma transport. In recent years, such integration has become increasingly prevalent when considering transport from the SOL, through the edge pedestal, and into the plasma core. In the near future, increased collaboration also with the magneto-hydrodynamic and energetic particles community will be important as we approach burning plasma conditions in next-step fusion devices. A summary of remaining challenges and next steps for each research field is given in the Summary section.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

The insufficiency of the charge transfer model for resonant $\text{XES}$ in $\text{UF}$ 4

Recently, it was suggested that the single-electron charge transfer model (ligand 2p to Uranium 5f transition) could be used to explain the U M 4,5 Resonant X-ray Emission Spectroscopy (XES) of uranium dioxide (UO 2 ) and uranium tetrafluoride (UF 4 ). Here in this report, it is shown that this model produces results inconsistent with a joint consideration of both of the bandgaps of UO 2 and UF 4 and is thus insufficient to explain the observed behavior. An alternative Raman-based model is proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quarkyonic matter equation of state in beta-equilibrium

Quark matter may appear due to a hadronic-quark transition in the core of a hybrid star. Quarkyonic matter is an approach in which both quarks and nucleons appear as quasiparticles in a crossover transition, and provides an explicit realization of early ideas concerning quark matter (e.g., the MIT bag model). This description has recently been employed by McLerran and Reddy to model chargeless (pure neutron) matter with an approach that has the virtue that the speed of sound rises quickly at a neutron-quark transition so as to satisfy observational constraints on the neutron star maximum mass (≳ 2 $M_⊙$) and the radius of a 1.4 $M_⊙$ star ($R_{1.4}$ ≲ 13.5 km). Traditional models involving first-order transitions result in softer pressure-energy density relations that have difficulty satisfying these constraints except with very narrow choices of parameters. Here, we propose a variation of quarkyonic matter involving protons and leptons whose energy can be explicitly minimized to achieve both chemical and beta equilibrium, which cannot be done in the chargeless formulation. Quarkyonic stellar models are able to satisfy observed mass and radius constraints with a wide range of model parameters, avoiding the obligatory fine-tuning of conventional hybrid star models, including requiring the transition density to be very close to the nuclear saturation density. Our formulation fits experimental and theoretical properties of the nuclear symmetry energy and pure neutron matter, and contains as few as three free parameters. This makes it an ideal tool for the study of high-density matter that is an efficient alternative to piecewise polytrope or spectral decomposition methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Nonequilibrium effects on stability of hybrid stars with first-order phase transitions

The stability of hybrid stars with first-order phase transitions as determined by calculating fundamental radial oscillation modes is known to differ from the predictions of the widely used Bardeen-Thorne-Meltzer criterion. We consider the effects of out-of-chemical-equilibrium physics on the radial modes and hence stability of these objects. For a barotropic equation of state, this is done by allowing the adiabatic sound speed to differ from the equilibrium sound speed. We show that doing so extends the stable branches of stellar models, allowing stars with rapid phase transitions to support stable higher-order stellar multiplets similarly to stars with multiple slow phase transitions. We also derive a new junction condition to impose on the oscillation modes at the phase transition. Termed the reactive condition, it is physically motivated, consistent with the generalized junction conditions between two phases, and has the common rapid and slow conditions as limiting cases. Unlike the two common cases, it can only be applied to nonbarotropic stars. Here, we apply this junction condition to hybrid stellar models generated using a two-phase equation of state consisting of nuclear matter with unpaired quark matter at high densities joined by a first-order phase transition and show that, like in the slow limiting case, stars that are classically unstable are stabilized by a finite chemical reaction speed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Free-energy analysis of the nonhysteretic first-order phase transition of Eu 2 In

Binary intermetallic Eu 2 In was recently reported to exhibit a giant anhysteretic magnetocaloric effect due to a first-order magnetic phase transition between paramagnetic and ferromagnetic states. Experimentally, the transition occurs with a small phase volume change, ΔV/V, of approximately 0.1% around T C of ca. 55 K. We representmagnetic and computemagnetocaloric properties of a Eu 2 In compound using a microscopic description based on a model Hamiltonian that takes into account magnetic exchange and magnetoelastic interactions. In the model the thermodynamic nature of the transition is conveniently represented by a single magnetoelastic interaction parameter. We report a good agreement between the theoretical results and earlier published experimental data confirms the effectiveness of our approach.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Sound Velocities of Stishovite at Simultaneous High Pressure and High Temperature Suggest an Eclogite‐Rich Layer Beneath the Hawaii Hotspot

Compressional and shear wave velocities of polycrystalline stishovite (SiO 2 ) have been measured at simultaneous high pressures and temperatures up to 14.5 GPa and 800°C. By fitting velocities to the finite strain equations, the elastic moduli and density were determined to be K S0 = 306.6(46) GPa, $K$$^{′}_{S}$ = 4.92(10), ∂K S /∂T = −0.024(1) GPa/K, G 0 = 229.0(34) GPa, G′ = 1.07(10), ∂G/∂T = −0.017(1) GPa/K, ρ 0 = 4.287(2) g/cm 3 . Our modeling suggested that, in the eclogite, coesite-stishovite transition can increase P and S wave velocities by 2.4% and 3.5%, respectively. A comparison between geophysical observations and our model shows that the coesite-stishovite phase transition in the eclogite can potentially be responsible for the occurrence of the X discontinuity beneath Hawaii. In addition, our current results suggest an eclogite-rich layer between 340 and 450 km depth beneath Hawaii. The eclogite concentration at the top and bottom of the layer is 41–55 vol% and >77 vol%, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Validation of ablation model for polyethylene using pulsed x-ray and proton exposures

The surface erosion of polyethylene is interrogated using pulsed x rays at the Z Machine (Sandia National Laboratories) and with proton beams at the Gamble II generator (Naval Research Laboratory) to validate a coupled model for volumetric thermal ablation, photoionization, finite-rate decomposition, and molecular recombination of radicals. The intense radiation pulses (up to ∼1014W/m2 over tens of nanoseconds) are used to generate one-dimensional vapor flows with low ionization fractions and a simplified geometry compared to typical laser ablation, allowing for evaluation of the model under local thermal equilibrium conditions. Areal momentum carried by the ensuing uniaxial hydrodynamic shock is used to indicate the extent of ablation. The threshold fluence for ablation is found to be in close correspondence with the bulk melt transition, and reasonable agreement with the model is obtained for peak temperatures in polyethylene up to 5500 K and heating rates up to 1011K/s where thermal decomposition reactions are also active.

Moore, N. W. (ORCID:0000000272259674)↗
DOE OSTI2024

Characteristic terahertz emissions induced by optically excited collective orbital modes

Here, we study the generation of collective orbital modes, their evolution, and the characteristic nonlinear optical response induced by them in a photoinduced orbital-ordered correlated oxide using real-time simulations based on an interacting multiband tight-binding (TB) model. The d-d optical transitions under femtoseconds light-pulse in an orbital-ordered state excite collective orbital modes, also known as “orbitons”. Consistently incorporating electronic interactions and the interplay between charge, spin, and lattice degrees of freedom in the TB-model provides a clearer understanding of how these factors influence the generation and evolution of collective orbital modes. The dynamics of Jahn-Teller vibrational modes in the photoinduced state modify the intersite orbital interaction, which further amplifies these orbital modes. In the presence of weak ferroelectricity, the excitation of collective orbital modes induces a strong THz oscillatory photocurrent, which is long-lived. This suggests an alternative way to experimentally detect low-energy collective modes through THz-emission studies in the photoinduced state. Our study also elucidates that quasiparticle dynamics in improper ferroelectric oxides can be exploited to achieve highly interesting and nontrivial optoelectronic properties.

36 MATERIALS SCIENCE↗