The knowledge of exact analytical functional forms for the pair correlation function g2(r) and its corresponding structure factor S(k) of disordered many-particle systems is limited. For fundamental and practical reasons, it is highly desirable to add to the existing database of analytical functional forms for such pair statistics. Here, we design a plethora of such pair functions in direct and Fourier spaces across the first three Euclidean space dimensions that are realizable by diverse many-particle systems with varying degrees of correlated disorder across length scales, spanning a wide spectrum of hyperuniform, typical nonhyperuniform, and antihyperuniform ones. This is accomplished by utilizing an efficient inverse algorithm that determines equilibrium states with up to pair interactions at positive temperatures that precisely match targeted forms for both g2(r) and S(k). Among other results, we realize an example with the strongest hyperuniform property among known positive-temperature equilibrium states, critical-point systems (implying unusual 1D systems with phase transitions) that are not in the Ising universality class, systems that attain self-similar pair statistics under Fourier transformation, and an experimentally feasible polymer model. We show that our pair functions enable one to achieve many-particle systems with a wide range of translational order and self-diffusion coefficients D, which are inversely related to one another. One can design other realizable pair statistics via linear combinations of our functions or by applying our inverse procedure to other desirable functional forms. Our approach facilitates the inverse design of materials with desirable physical and chemical properties by tuning their pair statistics.
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Can exotic disordered “stealthy” particle configurations tolerate arbitrarily large holes?
The probability of finding a spherical cavity or “hole” of arbitrarily large size in typical disordered many-particle systems in the infinite-system-size limit ( e.g. , equilibrium liquid states) is non-zero. Such “hole” statistics are intimately linked to the thermodynamic and nonequilibrium physical properties of the system. Disordered “stealthy” many-particle configurations in d -dimensional Euclidean space d are exotic amorphous states of matter that lie between a liquid and crystal that prohibit single-scattering events for a range of wave vectors and possess no Bragg peaks [Torquato et al. , Phys. Rev. X , 2015, 5 , 021020]. In this paper, we provide strong numerical evidence that disordered stealthy configurations across the first three space dimensions cannot tolerate arbitrarily large holes in the infinite-system-size limit, i.e. , the hole probability has compact support. This structural “rigidity” property apparently endows disordered stealthy systems with novel thermodynamic and physical properties, including desirable band-gap, optical and transport characteristics. We also determine the maximum hole size that any stealthy system can possess across the first three space dimensions.
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- Award ID(s):
- 1701843
- PAR ID:
- 10072595
- Date Published:
- Journal Name:
- Soft Matter
- Volume:
- 13
- Issue:
- 36
- ISSN:
- 1744-683X
- Page Range / eLocation ID:
- 6197 to 6207
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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