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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Crossing The Gap Using Variational Quantum Eigensolver: A Comparative Study

Within the evolving domain of quantum computational chemistry, the Variational Quantum Eigensolver (VQE) has been developed to explore not only the ground state but also the excited states of molecules. In this study, we compare the performance of Variational Quantum Deflation (VQD) and Subspace-Search Variational Quantum Eigensolver (SSVQE) methods in determining the low-lying excited states of $LiH$. Our investigation reveals that while VQD exhibits a slight advantage in accuracy, SSVQE stands out for its efficiency, allowing the determination of all low-lying excited states through a single parameter optimization procedure. We further evaluate the effectiveness of optimizers, including Gradient Descent (GD), Quantum Natural Gradient (QNG), and Adam optimizer, in obtaining $LiH$'s first excited state, with the Adam optimizer demonstrating superior efficiency in requiring the fewest iterations. Moreover, we propose a novel approach combining Folded Spectrum VQE (FS-VQE) with either VQD or SSVQE, enabling the exploration of highly excited states. We test the new approaches for finding all three $H_4$'s excited states. Folded Spectrum SSVQE (FS-SSVQE) can find all three highly excited states near $-1.0$ Ha with only one optimizing procedure, but the procedure converges slowly. In contrast, although Folded spectrum VQD (FS-VQD) gets highly excited states with individual optimizing procedures, the optimizing procedure converges faster.

Chen, I-Chi↗
DOE OSTI2022

Surrogate Modeling of Nonlinear Dynamic Systems: A Comparative Study

Surrogate models play a vital role in overcoming the computational challenge in designing and analyzing nonlinear dynamic systems, especially in the presence of uncertainty. This paper presents a comparative study of different surrogate modeling techniques for nonlinear dynamic systems. Four surrogate modeling methods, namely, Gaussian process (GP) regression, a long short-term memory (LSTM) network, a convolutional neural network (CNN) with LSTM (CNN-LSTM), and a CNN with bidirectional LSTM (CNN-BLSTM), are studied and compared. All these model types can predict the future behavior of dynamic systems over long periods based on training data from relatively short periods. The multi-dimensional inputs of surrogate models are organized in a nonlinear autoregressive exogenous model (NARX) scheme to enable recursive prediction over long periods, where current predictions replace inputs from the previous time window. Three numerical examples, including one mathematical example and two nonlinear engineering analysis models, are used to compare the performance of the four surrogate modeling techniques. The results show that the GP-NARX surrogate model tends to have more stable performance than the other three deep learning (DL)-based methods for the three particular examples studied. The tuning effort of GP-NARX is also much lower than its deep learning-based counterparts.

42 ENGINEERING↗
DOE OSTI2021

Comparative studies of 2HDMs under the Higgs boson precision measurements

We perform comparative studies for four types of the two Higgs Doublet Models (2HDMs) under the precision measurements of the Standard Model (SM) Higgs observables at the proposed Higgs factories. We explore the discovery potential based on the hypothetical deviations in the precision data for the 2HDMs up to one-loop level. We find 5σ observability from the χ2 fitting in a significant theory parameter space at future Higgs factories. For the Type-I 2HDM, regions with cos(β - α) ≲ -0.1 or cos(β - α) ≳ 0.08 are discoverable at more than 5σ level. For the other three types of 2HDMs, the 5σ region is even bigger: | cos(β - α)| ≳ 0.02 for tan β ~ 1. At small and large values of tan β, the region in cos(β - α) is further tightened. We examine the extent to which the different 2HDM theories may be distinguishable from one to the other at the 95% Confidence Level with four benchmark points as case studies. We show that a large part of the parameter space of the other types of 2HDMs can be distinguished from the benchmark points of the target model. The impacts of loop corrections are found to be significant in certain parameter regions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

A Comparative Study of Physics‐Informed and Data‐Driven Neural Networks for Compound Flood Simulation at River‐Ocean Interfaces: A Case Study of Hurricane Irene

Simulating compound flooding (CF) at the river-ocean interface within large-scale Earth System Models (ESMs) presents significant challenges due to complex interactions between river discharge, storm surge, and tides. This study assesses the comparative advantages of physics-informed and data-driven machine learning (ML) approaches for enhancing local ESM performance. We systematically compare data-driven neural network models (i.e., CNNs, U-Net, Long Short-Term Memory (LSTM), Gated Recurrent Unit), and physics-informed neural network (PINN) models, including vanilla PINN and a finite-difference-based PINN (FD-PINN). Specifically, FD-PINN is introduced to enhance computational efficiency, accelerating vanilla PINNs by ∼6.5 times while improving accuracy. To enhance data-driven model training, a new data-generation approach is developed to sample historical fluvial and coastal flood events, which ensures a robust data set for extreme event prediction. The models are evaluated using a realistic one-dimensional river domain extracted from an ESM's river mesh and the Hurricane Irene event as an independent test case. Results show that FD-PINN achieves accurate predictions with significantly reduced computational costs relative to vanilla PINNs. Among data-driven models, the best overall performance is achieved by a CNN-LSTM hybrid, which balances accuracy and efficiency. While a fully connected CNN (CNN-FC) provides the best accuracy, it incurs high computational cost. Architectures lacking strong temporal modeling tend to underperform on unseen events. These findings highlight the importance of sequence-aware designs for robust generalization. This study reveals the trade-offs between physics-informed and data-driven models and proposes an adaptive hybrid framework for integrating ML into ESMs to enhance local flood simulations.

Earth Systems Modeling↗
DOE OSTI2022

Comparative Study on the Pretreatment of Aspen and Maple With 1-Ethyl-3-methylimidazolium Acetate and Cholinium Lysinate

The efficiency of the enzymatic digestibility of certain lignocellulosic biomass has been observed as a function of their structural and chemical changes which in turn depends on the ionic liquid (IL) used as the pretreatment solvent. This study demonstrated and compared the feasibility of the IL pretreatment process for two woody biomasses, namely maple and aspen, using two mechanistically distinct ILs, i.e., 1-ethyl-3-methylimidazolium acetate (C 2 mim][OAc]) and cholinium lysinate ([Ch][Lys]) as the solvent. The pretreatment was performed at three different temperatures of 100°C, 140°C, and 160°C at a high solid loading of 25 wt% to understand the impact of lignin content and crystallinity index on enzymatic digestibility. Saccharification of the biomass obtained after the IL pretreatment afforded 30–85% glucan conversions. For aspen, both [C 2 mim][OAc] and [Ch][Lys] exhibited the highest glucan conversion at 140°C. For maple, the highest glucan conversion was obtained at 140°C with [C 2 mim][OAc], whereas [Ch][Lys] had an optimum glucan conversion at 160°C. These pretreatments resulted in negligible delignification irrespective of the IL used. A significant loss of crystallinity was observed for all [C 2 mim][OAc]-pretreated biomasses, whereas the pretreatment with [Ch][Lys] resulted in an increase in the crystallinity index.

Choudhary, Hemant↗
DOE OSTI2025

Embedded Sensing in Additive Manufacturing Metal and Polymer Parts: A Comparative Study of Integration Techniques and Structural Health Monitoring Performance

This study presents a comparative evaluation of post-process sensor integration in additively manufactured (AM) metal and the in-situ process for polymer structures for structural health monitoring (SHM), with an emphasis on embedded sensors. Geometrically identical specimens were fabricated using copper via metal fused filament fabrication (FFF) and PLA via polymer FFF, with piezoelectric transducers (PZTs) inserted into internal cavities to assess the influence of material and placement on sensing fidelity. Mechanical testing under compressive and point loads generated signals that were transformed into time–frequency spectrograms using a Short-Time Fourier Transform (STFT) framework. An engineered RGB representation was developed, combining global amplitude scaling with an amplitude-envelope encoding to enhance contrast and highlight subtle wave features. These spectrograms served as inputs to convolutional neural networks (CNNs) for classification of load conditions and detection of damage-related features. Results showed reliable recognition in both copper and PLA specimens, with CNN classification accuracies exceeding 95%. Embedded PZTs were especially effective in PLA, where signal damping and environmental sensitivity often hinder surface-mounted sensors. This work demonstrates the advantages of embedded sensing in AM structures, particularly when paired with spectrogram-based feature engineering and CNN modeling, advancing real-time SHM for aerospace, energy, and defense applications.

additive manufacturing↗
DOE OSTI2026

Comparative study on the formation of Cr and Ti ohmic contacts to (001) β -Ga 2 O 3

Here, a comparative study of Cr/Au and Ti/Au ohmic contacts on (001) β-Ga 2 O 3 was conducted. The electrical behavior from current-voltage measurements and the interfacial composition and microstructure as determined from high-resolution transmission electron microscopy (TEM) with energy dispersive x-ray analysis were compared for the different contacts at selected points in an annealing series (300–700 °C, 1 min. anneals in N 2 ). Cr/Au contacts became ohmic at temperatures (300–350 °C) approximately 50–100 °C lower than Ti/Au contacts (400–450 °C). Cr/Au and Ti/Au contacts demonstrated optimal ohmic behavior (lowest resistance) when annealed to 450–500 and 500–600 °C, respectively, with Ti/Au contacts yielding a lower total resistance than Cr/Au. Cross-sectional TEM images of Cr/Au contacts annealed at 450 °C revealed the presence of Au nanoclusters at the Ga 2 O 3 interface and CrO x layers at both the top of the contact and the Ga 2 O 3 interface. Whereas TiO x also formed at the top and bottom interfaces in 450 °C-annealed Ti/Au contacts, the TiO x surface layer appeared to be variable in thickness and/or discontinuous, unlike the CrO x surface layer. Au nanoclusters were not detected at the interface in the Ti/Au contacts. The interdiffusion and oxidation observed in both contact metallizations point to the need for diffusion barriers that may allow these contacts to be used in future Ga 2 O 3 -based devices that operate at elevated temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A comparative study of the physical properties for a representative sample of Narrow and Broad-line Seyfert galaxies

ABSTRACT We present a comparative study of the physical properties of a homogeneous sample of 144 Narrow line Seyfert 1 (NLSy1) and 117 Broad-line Seyfert 1 (BLSy1) galaxies. These two samples are in a similar luminosity and redshift range and have optical spectra available in the 16th data release of Sloan Digital Sky Survey (SDSS-DR16) and X-ray spectra in either XMM-NEWTON or ROSAT. Direct correlation analysis and a principal component analysis (PCA) have been performed using ten observational and physical parameters obtained by fitting the optical spectra and the soft X-ray photon indices as another parameter. We confirm that the established correlations for the general quasar population hold for both types of galaxies in this sample despite significant differences in the physical properties. We characterize the sample also using the line shape parameters, namely the asymmetry and kurtosis indices. We find that the fraction of NLSy1 galaxies showing outflow signatures, characterized by blue asymmetries, is higher by a factor of about 3 compared to the corresponding fraction in BLSy1 galaxies. The presence of high iron content in the broad-line region of NLSy1 galaxies in conjunction with higher Eddington ratios can be the possible reason behind this phenomenon. We also explore the possibility of using asymmetry in the emission lines as a tracer of outflows in the inner regions of Active Galactic Nuclei. The PCA results point to the NLSy1 and BLSy1 galaxies occupying different parameter spaces, which challenges the notion that NLSy1 galaxies are a subclass of BLSy1 galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Selective Lead(II) Adsorption and Flocculation Characteristics of the Grafted Sodium Alginate: A Comparative Study

Synthesis of sodium alginate-g-poly(acrylamide-co-N-methylacrylamide) [S-III], sodium alginate-g-poly(N-methylacrylamide-co-N,N-dimethylacrylamide) [S-II], sodium alginate-g-poly(acrylamide-co-N,N-dimethylacrylamide) [S-I]. Sodium alginate-g-poly(N,N-dimethylacrylamide) [SAG-g-PDMA] and sodium alginate-g-poly(acrylamide) [SAG-g-PAM] were prepared by solution polymerization technique using potassium peroxydisulfate as the initiator at 70 °C in water medium. The graft copolymers were characterized by FTIR and NMR ({sup 1}H and {sup 13}C) spectroscopy, SEM and XRD studies. All the five graft copolymers were used to remove Pb(II) ions from the aqueous solution and also in flocculation studies of kaolin clay (1.0 wt%), silica (1.0 wt%) and iron ore slime (0.25 wt%) suspensions. A comparative studies of all the five graft copolymers were also made in both the two cases. The Pb(II) ion removal capacity of all the graft copolymers follows the order S-III > SAG-g-PAM > S-II > SAG-g-PDMA > S-I. But the flocculation performance of the graft copolymers follows the order S-II > S-I > S-III > SAG-g-PDMA > SAG-g-PAM. S-III was also used for the competitive metal ion removal with Hg(II), Cd(II), Cu(II) and Zn(II). Pb(II) adsorption of S-III (the best Pb(II) ion adsorber) follows pseudo second order rate equation and Langmuir adsorption isotherm.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

A Comparative Study of Constitutive Characteristics and Microstructure Evolution between Uniaxial and Plane Strain Compression of an AA6061 Alloy

The hot deformation behavior of an AA6061 alloy was comparatively studied by uniaxial compression (UC) and plane strain compression (PSC) in the temperature range of 300-450 °C and strain rate range of 0.01-5 s{sup −1}. The processing maps were constructed based on a dynamic materials model, and the associated microstructures were observed. Under the same deformation conditions, the flow stress of the AA6061 alloy during PSC is higher than that during UC, which can be characterized by the Zener–Hollomon (Z) parameter in a hyperbolic sine-type equation with an activation energy Q of 175.2 kJ mol{sup −1} and 201.9 kJ mol{sup −1}, respectively. In addition, the instability domain is narrower under PSC compared to that under UC. The observed microstructures also indicate that as the Z value decreases, the tendency of dynamic recrystallization increases during PSC. The softening mechanisms in the AA6061 alloy after PSC and UC mainly consist of the dynamic recovery that is accompanied by a slight dynamic recrystallization. The optimum parameters are in the temperature range of 360-450 °C and strain rate range of 0.03-0.3 s{sup −1} for UC, and for PSC, the optimum parameters are in the temperature range of 320-400 °C and strain rate range of 0.01-0.05 s{sup −1}.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Comparative Study of the Magnetoelectric Effect in HoAl{sub 3}(BO{sub 3}){sub 4} and HoGa{sub 3}(BO{sub 3}){sub 4} Single Crystals

The comparative study of the magnetoelectric properties and magnetostriction of HoGa{sub 3}(BO{sub 3}){sub 4} and HoAl{sub 3}(BO{sub 3}){sub 4} single crystals has been carried out. The investigated compounds exhibit qualitatively similar magnetodielectric and inverse magnetoelectric ME{sub E} effects with the close absolute values, which is indicative of the weak effect of a nonmagnetic metal ion. On the contrary, the magnetostriction of the galloborate has been found to be threefold higher than that of the alumoborate. In addition, the difference between the qualitative behaviors of magnetostriction has been established: the magnetic-field dependence of magnetostriction for the alumoborate has the maximum near 70 kOe at T = 4.2 K, while the galloborate magnetostriction has no maximum and does not saturate in a field of 140 kOe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Matter power spectra in modified gravity: a comparative study of approximations and N -body simulations

ABSTRACT Testing gravity and the concordance model of cosmology, $\Lambda$CDM, at large scales is a key goal of this decade’s largest galaxy surveys. Here we present a comparative study of dark matter power spectrum predictions from different numerical codes in the context of three popular theories of gravity that induce scale-independent modifications to the linear growth of structure: nDGP, Cubic Galileon, and K-mouflage. In particular, we compare the predictions from N-body simulations solving the full scalar field equation, two N-body codes with approximate time integration schemes, a parametrized modified N-body implementation, and the analytic halo model reaction approach. We find the modification to the $\Lambda$CDM spectrum is in 2 per cent agreement at $z\le 1$ and $k\le 1~h\,{\rm Mpc}^{-1}$ over all gravitational models and codes, in accordance with many previous studies, indicating these modelling approaches are robust enough to be used in forthcoming survey analyses under appropriate scale cuts. We further make public the new code implementations presented, specifically the halo model reaction K-mouflage implementation and the relativistic Cubic Galileon implementation.

Bose, B. (ORCID:0000000319658614)↗
DOE OSTI2018

Comparative Study of the Lateral Photovoltaic Effect in Fe{sub 3}O{sub 4}/SiO{sub 2}/n-Si and Fe{sub 3}O{sub 4}/SiO{sub 2}/p-Si Structures

The results of a comparative study of the lateral photovoltaic effect in Fe{sub 3}O{sub 4}/SiO{sub 2}/n-Si and Fe{sub 3}O{sub 4}/SiO{sub 2}/p-Si structures are presented. The lateral photovoltage reaches its maximum near the measurement contacts in both structures, but the signs of this voltage differ. As the light spot moves away from the contacts, the photovoltage varies linearly in Fe{sub 3}O{sub 4}/SiO{sub 2}/n-Si and decreases exponentially in Fe{sub 3}O{sub 4}/SiO{sub 2}/p-Si. It is found that interface states at the SiO{sub 2}/Si interface induce the photovoltage polarity inversion associated with a change in the conductivity type of silicon. An extreme thickness dependence of the photovoltage with an optimum Fe{sub 3}O{sub 4} film thickness of ~50 nm is observed in both structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Low temperature synthesized SrMoO4:Eu3+ nanophosphors functionalized with ethylene glycol: A comparative study of synthesize route, morphology, luminescence and annealing

Highlights: • Tetragonal SrMoO{sub 4}:Eu{sup 3+} downconverting phosphors functionalized with ethylene glycol have been synthesized via three different preparation techniques (urea hydrolysis, ammonia hydrolysis and hydrothermal methods). • For the first time, a comparative study of synthesized route, morphology, luminescence and annealing has been given in detail. • Mechanism involved in the luminescence has been discussed with the help of schematic representation, energy level diagram and chromaticity diagram. • The prepared phosphors are suitable for biological labeling due to their dispersible capacity in different liquids (ethanol, phosphate buffered saline and water). - Abstract: Tetragonal SrMoO{sub 4}:Eu{sup 3+} downconverting phosphors functionalized with ethylene glycol have been synthesized via three different preparation techniques (urea hydrolysis, ammonia hydrolysis and hydrothermal methods). The developed phosphor shows strong red photoluminescence emission via electric dipole {sup 5}D{sub 0} → {sup 7}F{sub 2} transition and other weak transitions ({sup 5}D{sub 1} → {sup 7}F{sub 1}, {sup 5}D{sub 0} → {sup 7}F{sub 1}, {sup 5}D{sub 0} → {sup 7}F{sub 3} and {sup 5}D{sub 0} → {sup 7}F{sub 4}) by using three excitation wavelengths of 260, 395 and 464 nm. For the first time, a comprehensive discussion have been given for indirect and direct excitation for as-prepared phosphor prepared by the three different techniques. The needle imbedded spherical particles, elliptical shaped particles and orange carpels shaped particles have been obtained from the urea, ammonia and hydrothermal methods, respectively. The calculated quantum yields are found to be 7.5, 6.1 and 9.3% for urea, ammonia and hydrothermal based synthesized phosphors, respectively. The prepared phosphors are suitable for biological labeling due to their dispersible ability in different liquids (ethanol, phosphate buffered saline and water).

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

A comparative study between real-world and laboratory accelerated aging of Cu/SSZ-13 SCR catalysts

Elucidating aging mechanisms in real-world applications is a critical component for developing and maintaining Cu/SSZ-13 SCR catalysts. To reveal gaps between laboratory accelerated aging and real-world aging, herein we report thorough comparative studies between 6 representative catalysts. Here, we apply a wide range of catalyst characterization methods, including surface area/porosity analysis, X-ray diffraction (XRD), H 2 -temperature programmed reduction, NH3-temperaure programmed desorption, solid-state nuclear magnetic resonance (NMR), in situ X-ray photoelectron (XPS) and electron paramagnetic resonance (EPR) spectroscopies, to gain atomic-level knowledge on Cu transformation under different aging protocols. We then correlate such knowledge to SCR, NH 3 /NO oxidation kinetic behavior of the catalysts. We found that sulfur aging plays the most important role in interpreting catalyst degradation during real-world application, including direct sulfur poisoning of isolated Cu II SCR active species to CuSO 4 -like species, the agglomeration of such species to multinuclear CuSO 4 clusters, and eventually, CuO formation during desulfation treatments. Such chemistries convert SCR active Cu to SCR inert Cu moieties without severely deteriorating catalyst support integrity. These characteristics are partially replicated by hydrothermal aging in the presence of SOx but are poorly mimicked by hydrothermal aging alone.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comparative Study of Wind Energy Potential Estimation Methods for Wind Sites in Togo and Benin (West Sub-Saharan Africa)

The characterization of wind speed distribution and the optimal assessment of wind energy potential are critical factors in selecting a suitable site for wind power plants (WPP). The Weibull distribution law has been used extensively to analyze the wind characteristics of candidate WPP sites, and to estimate the available and deliverable energy. This paper presents a comparative study of five wind energy resource assessment methods as they applied to the context of wind sites in West Sub-Saharan Africa. We investigated three numerical approaches, namely, the adaptive neuro-fuzzy inference system (ANFIS), the multilayer perceptron method (MLP), and support vector regression (SVR), to derive the distribution law of wind speeds and to optimally quantify the corresponding wind energy potential. Next, we compared these three approaches to two well-known Weibull distribution law-based methods: the empirical method of Justus (EMJ) and the maximum likelihood method (MLM). Case study results indicated that the neural network-based methods, ANFIS and MLP, yielded the most accurate distribution fits and wind energy potential estimates, and consequently, are the most recommended methods for the wind sites in Togo and Benin. The orders of magnitude of the root mean squared error (RMSE) in estimating the recoverable energy using ANFIS were, respectively, 10-4 and 10-5 for Lomé and Cotonou, while MLP achieved an RMSE order of magnitude of 10-3 for both sites.

17 WIND ENERGY↗
DOE OSTI2024

Comparative Study of Large Language Model Architectures on Frontier

Large language models (LLMs) have garnered significant attention in both the AI community and beyond. Among these, the Generative Pre-trained Transformer (GPT) has emerged as the dominant architecture, spawning numerous variants. However, these variants have undergone pre-training under diverse conditions, including variations in input data, data preprocessing, and training methodologies, resulting in a lack of controlled comparative studies. Here we meticulously examine two prominent open-sourced GPT architectures, GPT-NeoX and LLaMA, leveraging the computational power of Frontier, the world’s first Exascale supercomputer. Employing the same materials science text corpus and a comprehensive end-to-end pipeline, we conduct a comparative analysis of their training and downstream performance. Our efforts culminate in achieving state-of-the-art performance on a challenging materials science benchmark. Furthermore, we investigate the computation and energy efficiency, and propose a computationally efficient method for architecture design. To our knowledge, these pre-trained models represent the largest available for materials science. Our findings provide practical guidance for building LLMs on HPC platforms.

Yin, Junqi↗
DOE OSTI2019

Comparative Study of the Nernst–Ettingshausen Coefficient in the Normal Phase in the Y{sub 1 –} {sub x}Pr{sub x}Ba{sub 2}Cu{sub 3}O{sub y} and Y{sub 0.85 –} {sub x}Pr{sub x}Ca{sub 0.15}Ba{sub 2}Cu{sub 3}O{sub y} Systems

The results of the comparative study of the modification of the temperature dependences of the Nernst–Ettingshausen coefficient Q in the normal phase of two series of the samples of the Y{sub 1 –} {sub x}Pr{sub x}Ba{sub 2}Cu{sub 3}O{sub y} and Y{sub 0.85 –} {sub x}Pr{sub x}Ca{sub 0.15}Ba{sub 2}Cu{sub 3}O{sub y} compositions due to praseodymium doping are presented. The specific features of dependences Q(T) and Q{sub 300 K}(T) appeared as additional calcium ions exist in the YBa{sub 2}Cu{sub 3}O{sub y} lattice have been revealed and analyzed. It is shown that dependences Q(T) and the temperature dependences of the thermopower coefficient obtained for the same samples previously are completely described in terms of the narrow-band model for both systems under study. The charge carrier mobilities and the degrees of asymmetry of the dispersion law are determined using a quantitative analysis of the experimental data. It is shown that the existence of additional calcium ions in the lattice does not influence a change in the asymmetry of the dispersion law with an increase in the praseodymium content, but strongly influences the character of changing the mobility. The found dependence of the mobility on the level of doping in the two systems and the observed difference in the characters of the changes in the absolute values of the thermopower coefficient and the Nernst–Ettingshausen coefficient in the Y{sub 0.85 –} {sub x}Pr{sub x}Ca{sub 0.15}Ba{sub 2}Cu{sub 3}O{sub y} system are explained on the basis of the analysis of the mechanisms of influence of the energy spectrum parameters on the charge carrier mobility in the YBa{sub 2}Cu{sub 3}O{sub y} system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗