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At least 127 records · Page 7

Parameterization of the β and γ phases of Tin using the Vinet and Mie-Grüneisen Equations of State

When testing new phase aware materials models, it is often not possible to use tabulated Equations of States for the phases since the model might only be available in a smaller specialized research code without capability to read in tables. These EOS parameterizations for two of the solid phases of Tin were developed for testing the Kinetic Phase Transition model by Carl Greeff, LANL. They are based on two isotherms per phase obtained from work in progress by Carl Greeff, and their phase boundary corresponds fairly well to SESAME 2162. A full machinery is applied for the parameterization of the Vinet EOSs while the Mie-Grüneisen parameterizations are translated from the Vinet EOSs.

36 MATERIALS SCIENCE↗

A measurement of the equation of state of carbon envelopes of white dwarfs

White dwarfs represent the final state of evolution for most stars. Certain classes of white dwarfs pulsate, leading to observable brightness variations, and analysis of these variations with theoretical stellar models probes their internal structure. Modelling of these pulsating stars provides stringent tests of white dwarf models and a detailed picture of the outcome of the late stages of stellar evolution. However, the high-energy-density states that exist in white dwarfs are extremely difficult to reach and to measure in the laboratory, so theoretical predictions are largely untested at these conditions. In this paper we report measurements of the relationship between pressure and density along the principal shock Hugoniot (equations describing the state of the sample material before and after the passage of the shock derived from conservation laws) of hydrocarbon to within five per cent. The observed maximum compressibility is consistent with theoretical models that include detailed electronic structure. This is relevant for the equation of state of matter at pressures ranging from 100 million to 450 million atmospheres, where the understanding of white dwarf physics is sensitive to the equation of state and where models differ considerably. The measurements test these equation-of-state relations that are used in the modelling of white dwarfs and inertial confinement fusion experiments, and we predict an increase in compressibility due to ionization of the inner-core orbitals of carbon. We also find that a detailed treatment of the electronic structure and the electron degeneracy pressure is required to capture the measured shape of the pressure–density evolution for hydrocarbon before peak compression. Our results illuminate the equation of state of the white dwarf envelope (the region surrounding the stellar core that contains partially ionized and partially degenerate non-ideal plasmas), which is a weak link in the constitutive physics informing the structure and evolution of white dwarf stars.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Sensitivity of magnetohydrodynamic simulations of Joule-heated conductors to the vaporization curve in equations of state

Magnetohydrodynamic (MHD) simulations of electrically exploded aluminum and copper rods demonstrate a technique to validate equations of state (EOS) for rapidly Joule-heated conductors. The balance of internal and magnetic forces at the conductor-insulator interface drives the metal there along the vaporization phase boundary. Variations between critical points and vaporization curves in existing models predict differing densities and temperatures in MHD simulations for these models. Here, the inclusion of Maxwell constructs in the liquid-vapor biphase region of the EOS caused the rod surface to vaporize earlier in time than unmodified tables with van der Waals loops. Velocimetry of recent experiments is used to validate the location of the vaporization curve in existing EOS models and differentiate between the vapor dome treatments. Dielectric coatings applied to the metal surface restricted the conductor’s expansion and diverted the metal into the warm dense matter regime.

36 MATERIALS SCIENCE↗

The Equation of State of Neutron-Rich Matter at Fourth Order of Chiral Effective Field Theory and the Radius of a Medium-Mass Neutron Star

We report neutron star predictions based on our most recent equations of state. These are derived from chiral effective field theory, which allows for a systematic development of nuclear forces, order by order. We utilize high-quality two-nucleon interactions and include all three-nucleon forces up to fourth order in the chiral expansion. Our ab initio predictions are restricted to the domain of applicability of chiral effective field theory. However, stellar matter in the interior of neutron stars can be up to several times denser than normal nuclear matter at saturation, and its composition is essentially unknown. Following established practices, we extend our microscopic predictions to higher densities matching piecewise polytropes. The radius of the average-size neutron star, about 1.4 solar masses, is sensitive to the pressure at normal densities, and thus it is suitable to constrain ab initio theories of the equation of state. For this reason, we focus on the radius of medium-mass stars. We compare our results with other theoretical predictions and recent constraints.

79 ASTRONOMY AND ASTROPHYSICS↗

Machine Learning-Driven Conservative-to-Primitive Conversion in Hybrid Piecewise Polytropic and Tabulated Equations of State

We present a novel machine learning (ML)-based method to accelerate conservative-to-primitive inversion, focusing on hybrid piecewise polytropic and tabulated equations of state. Traditional root-finding techniques are computationally expensive, particularly for large-scale relativistic hydrodynamics simulations. To address this, we employ feedforward neural networks (NNC2PS and NNC2PL), trained in PyTorch (2.0+) and optimized for GPU inference using NVIDIA TensorRT (8.4.1), achieving significant speedups with minimal accuracy loss. The NNC2PS model achieves 𝐿 1 and 𝐿 ∞ errors of 4.54 × 10 −7 and 3.44 × 10−6, respectively, while the NNC2PL model exhibits even lower error values. TensorRT optimization with mixed-precision deployment substantially accelerates performance compared to traditional root-finding methods. Specifically, the mixed-precision TensorRT engine for NNC2PS achieves inference speeds approximately 400 times faster than a traditional single-threaded CPU implementation for a dataset size of 1,000,000 points. Ideal parallelization across an entire compute node in the Delta supercomputer (dual AMD 64-core 2.45 GHz Milan processors and 8 NVIDIA A100 GPUs with 40 GB HBM2 RAM and NVLink) predicts a 25-fold speedup for TensorRT over an optimally parallelized numerical method when processing 8 million data points. Moreover, the ML method exhibits sub-linear scaling with increasing dataset sizes. We release the scientific software developed, enabling further validation and extension of our findings. By exploiting the underlying symmetries within the equation of state, these findings highlight the potential of ML, combined with GPU optimization and model quantization, to accelerate conservative-to-primitive inversion in relativistic hydrodynamics simulations.

conservative-to-primitive conversion↗

Impact of O4 future detections on the determination of the dense matter equations of state

Here, in view of the next LIGO-Virgo-KAGRA Observing period O4 (to start in Spring 2023), we address the question of the ability of the interferometers network to discriminate among different neutron stars equation of states better than what was possible with the observation of the binary neutron stars merger GW170817. We show that the observation of an event similar to GW170817 during O4 would allow us to resolve the dimensionless effective tidal deformability $\tilde{Λ}$ within an uncertainty 7 times better than the one obtained in O2. Thanks to the expected increase in sensitivities, we show that any GW170817-like single-event within a distance of 100 Mpc would imply significantly improved constraints of the neutron stars equations of state. We also illustrate the important impact of the noise in the analysis of the signal, showing how it can impact the effective tidal deformability probability density function for large signal-to-noise ratio.

79 ASTRONOMY AND ASTROPHYSICS↗

Experimental equation of state of 11 lanthanide nitrides (NdN to LuN) and pressure induced phase transitions in NdN, SmN, EuN, and GdN

Through an extensive data analysis of powder X-ray diffraction data obtained at pressures up to at least 78 GPa, we report the experimental equations of state for all lanthanide nitrides between NdN and LuN, excluding the radioactive Pm. By fitting the obtained unit cell volumes as a function of pressure with the third order Birch–Murnaghan equation of state, we find that the bulk modulus increases with an increasing lanthanide number from K 0 = 146(12) GPa for NdN to 182(7) GPa in EuN. Hereafter, the bulk modulus reaches a plateau for the rest of the series except for TmN which has a lower bulk modulus. We find that the first derivative of the bulk modulus is around 4 for all compounds except TbN, which displays a significantly different compression behavior. In addition, we find a B1 to B10 pressure-induced phase transition in NdN, SmN, EuN, and GdN at increasingly higher pressures. In fact, we observe that the onset pressure of the phase transition increases linearly with Ln atomic number. From TbN and onwards, we do not observe any sign of a B1 to B10 transition indicating that the transition pressure exceeds the studied pressure range. Therefore, we believe that, for the heavier lanthanides, the linear relationship between the onset pressure and the lanthanide number does not hold and even higher pressures are needed to observe the transition. This coherent study of the series of lanthanide nitrides offers a unique opportunity for benchmark studies of computational methods applied to compounds with 4f electrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phase transitions and critical behavior in hadronic transport with a relativistic density functional equation of state

We develop a flexible, relativistically covariant parametrization of the dense nuclear matter equation of state suited for inclusion in computationally demanding hadronic transport simulations. Within an implementation in the hadronic transport code smash, we show that effects due to bulk thermodynamic behavior are reproduced in dynamic hadronic systems, demonstrating that hadronic transport can be used to study critical behavior in dense nuclear matter, both at and away from equilibrium. We also show that two-particle correlations calculated from hadronic transport simulation data follow theoretical expectations based on the second-order cumulant ratio, and constitute a clear signature of the crossover region above the critical point.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Effect of the Nuclear Equation of State on Relativistic Turbulence-induced Core-collapse Supernovae

Abstract The nuclear equation of state (EOS) is an important component in the evolution of core-collapse supernovae. In this paper we make a survey of various EOSs in the literature and analyze their effect on spherical core-collapse models in which the effects of three-dimensional turbulence is modeled by a general relativistic formulation of Supernova Turbulence In Reduced-dimensionality (STIR). We show that the viability of the explosion is quite EOS dependent and that it best correlates with the early-time interior entropy density of the proto–neutron star. We check that this result is not progenitor dependent, although the lowest-mass progenitors show different explosion properties, due to the different pre-collapse nuclear composition. Larger central entropies also induce more vigorous proto–neutron star convection in our one-dimensional turbulence model, as well as a wider convective layer.

79 ASTRONOMY AND ASTROPHYSICS↗

The Role of Strong Gravity and the Nuclear Equation of State on Neutron-star Common-envelope Accretion

Common-envelope evolution is important in the formation of neutron star binaries within the isolated binary formation channel. As a neutron star inspirals within the envelope of a primary massive star, it accretes and spins up. Because neutron stars are in the strong-gravity regime, they have a substantial relativistic mass deficit, i.e., their gravitational mass is less than their baryonic mass. This effect causes some fraction of the accreted baryonic mass to convert into neutron star binding energy. The relativistic mass deficit also depends on the nuclear equation of state, since more compact neutron stars will have larger binding energies. We model the mass growth and spin-up of neutron stars inspiraling within common-envelope environments and quantify how different initial binary conditions and hadronic equations of state affect the post-common-envelope neutron star's mass and spin. From these models, we find that neutron star mass growth is suppressed by ≈15%–30%. We also find that for a given amount of accreted baryonic mass, more compact neutron stars will spin-up faster while gaining less gravitational mass, and vice versa. Here, this work demonstrates that a neutron star's strong gravity and nuclear microphysics plays a role in neutron-star-common-envelope evolution, in addition to the macroscopic astrophysics of the envelope. Strong gravity and the nuclear equation of state may thus affect both the population properties of neutron star binaries and the cosmic double neutron star merger rate.

79 ASTRONOMY AND ASTROPHYSICS↗

Equation of State for the Thermodynamic Properties of Trans-1,2-dichloroethene [R-1130(E)]

We present an empirical equation of state in terms of the Helmholtz energy for trans-1,2-dichloroethene [R-1130(E)]. The range of validity is from the triple-point temperature, 223.31 K to 525 K with pressures up to 30 MPa. It may be used to calculate all thermodynamic properties in the fluid phase, including liquid, gas, and supercritical regions. Comparisons are given with existing literature data and estimated uncertainties are provided. In addition, checks were made for correct extrapolation behavior so that the equation behaves in a physically realistic manner when used outside of its range of validity, enabling its use in mixture models. The estimated uncertainties (at a k = 2 or 95 % level of confidence) are based on comparisons with critically assessed data and are 0.25 % for vapor pressure for temperatures in the range 300 K < T < 454 K, rising to 1.5 % as the temperature decreases from 300 K to 265 K. For density in the liquid phase the estimated uncertainty is 0.14 % for temperatures 270 K < T < 410 K and for pressures up to 30 MPa. For the vapor phase the estimated uncertainty in density is 3 %. The uncertainty for liquid-phase heat capacity is 1 % at atmospheric pressure over the temperature range 268 K < T < 309 K, and the uncertainty for the speed of sound in the liquid phase is 0.25 % for temperatures 230 K < T < 420 K and for pressures up to 30 MPa. The uncertainties are larger outside of these specified ranges and in the critical region.

1,2-Dichloroethene↗

First principles reactive simulation for equation of state prediction

The high cost of density functional theory (DFT) has hitherto limited the ab initio prediction of the equation of state (EOS). In this article, we employ a combination of large scale computing, advanced simulation techniques, and smart data science strategies to provide an unprecedented ab initio performance analysis of the high explosive pentaerythritol tetranitrate (PETN). Comparison to both experiment and thermochemical predictions reveals important quantitative limitations of DFT for EOS prediction and thus the assessment of high explosives. In particular, we find that DFT predicts the energy of PETN detonation products to be systematically too high relative to the unreacted neat crystalline material, resulting in an underprediction of the detonation velocity, pressure, and temperature at the Chapman–Jouguet state. The energetic bias can be partially accounted for by high-level electronic structure calculations of the product molecules. Furthermore we demonstrate a modeling strategy for mapping chemical composition across a wide parameter space with limited numerical data, the results of which suggest additional molecular species to consider in thermochemical modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Constraining the Equation of State of Dense Neutron-rich Matter (Final Report)

Using a new Time Projection Chamber (TPC), called the SpiRIT (SAMURAI pion Reconstruction Ion Tracker) constructed and funded by DOE office of science (award # DE-SC0004835), we performed two experiments with the SAMURAI spectrometer at RIKEN, Japan to study the equation of state of neutron rich matter. As a result of the project, the SpiRIT collaboration, an international collaboration consisting of groups from US, Japan, Korea, Poland, China and Germany, has been formed to pursue the science opportunities provided by the SpiRIT TPC. After the experiments, we developed the software to analyze the SpiRIT experiments and extract constraints of symmetry energy at supra-saturation densities. As a result 270 TB of data have been obtained. Over 10 technical papers on the TPC and 4 science papers on the nuclear equation of state have been published. A total of six (2 US, 1 Japanese and 1 Korean) PhD students have graduated based on their research on the EOS research using the SpiRIT data. In addition, the data also stimulated theorists on transport models to form the “Transport Model Evaluation Project” collaboration to improve the transport model to compare calculations with the data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Phase comparison and equation of state for Ta 2 O 5

Abstract Tantalum pentoxide (Ta 2 O 5 ) is among the most technologically useful heavy transition metal oxides. Unfortunately, its crystal structure is the subject of long-standing and unresolved disagreement. Among other consequences, this uncertainty has made it impossible to formulate a robust high pressure equation of state for Ta 2 O 5 . Here, we report the results of high pressure x-ray diffraction experiments indexed against a comprehensive list of proposed Ta 2 O 5 phases. Five of the proposed phases produce good matches to experimental observations, and the compressibility parameters for these phases are all consistent within uncertainty. This means that regardless of the particular phase chosen, the Ta 2 O 5 equation of state can be described with bulk modulus K 0 = 138 ± 3.68 GPa and pressure derivative K 0 ′ = 1.82 ± 0.45 . Combining these experimental results with new density-functional theory calculations allows us to identify the λ phase as the best structural model of Ta 2 O 5 at ambient conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Constraining the Equation of State of Dense Neutron-rich Matter (Final Technical Report)

Using a new Time Projection Chamber (TPC), called the SpiRIT (SAMURAI pion Reconstruction Ion Tracker) constructed and funded by DOE office of science (award # DE-SC0004835), we performed two experiments with the SAMURAI spectrometer at RIKEN, Japan to study the equation of state of neutron rich matter. As a result of the project, the SpiRIT collaboration, an international collaboration consisting of groups from US, Japan, Korea, Poland, China and Germany, has been formed to pursue the science opportunities provided by the SpiRIT TPC. After the experiments, we developed the software to analyze the SpiRIT experiments and extract constraints of symmetry energy at supra-saturation densities. As a result 270 TB of data have been obtained. Over 10 technical papers on the TPC and 4 science papers on the nuclear equation of state have been published. A total of six (2 US, 1 Japanese and 1 Korean) PhD students have graduated based on their research on the EOS research using the SpiRIT data. In addition, the data also stimulated theorists on transport models to form the “Transport Model Evaluation Project” collaboration to improve the transport model to compare calculations with the data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The development of thermodynamically consistent and physics-informed equation-of-state model through machine learning

Ab initio molecular dynamics (AIMD) simulations have become an important tool used in the construction of equations of state (EOS) tables for warm dense matter. Due to computational costs, only a limited number of system state conditions can be simulated, and the remaining EOS surface must be interpolated for use in radiation-hydrodynamic simulations of experiments. In this work, we develop a thermodynamically consistent EOS model that utilizes a physics-informed machine learning approach to implicitly learn the underlying Helmholtz free-energy from AIMD generated energies and pressures. The model, referred to as PIML-EOS, was trained and tested on warm dense polystyrene producing a fit within a 1% relative error for both energy and pressure and is shown to satisfy both the Maxwell and Gibbs–Duhem relations. In addition, we provide a path toward obtaining thermodynamic quantities, such as the total entropy and chemical potential (containing both ionic and electronic contributions), which are not available from current AIMD simulations.

74 ATOMIC AND MOLECULAR PHYSICS↗

QCD equation of state at finite densities for nuclear collisions

In this work, we construct the QCD equation of state at finite chemical potentials including net baryon, electric charge, and strangeness based on the results of lattice QCD simulations and the hadron resonance gas model. The situation of strangeness neutrality and a fixed charge-to-baryon ratio, which resembles that of heavy nuclei, is considered for the application to relativistic heavy-ion collisions. This increases the values of baryon chemical potential compared to the case of vanishing strangeness and electric charge chemical potentials, modifying the fireball trajectory in the phase diagram. We perform viscous hydrodynamic simulations and demonstrate the importance of multiple chemical potentials for identified particle production in heavy-ion collisions at the RHIC and SPS beam energy scan energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗